smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000265265977 282188063 /nfs/dbraw/zinc/18/80/63/282188063.db2.gz RYPGRYDVOSXYJU-SNVBAGLBSA-N 0 3 347.824 1.963 20 5 EDBDHN CCOc1cc(C(=O)N[C@@H]2CCN(CC)C2)c([N+](=O)[O-])cc1OC ZINC000412853309 304042183 /nfs/dbraw/zinc/04/21/83/304042183.db2.gz SZUNLSVLMAALHC-LLVKDONJSA-N 0 3 337.376 1.826 20 5 EDBDHN COC(=O)[C@@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413500983 304064034 /nfs/dbraw/zinc/06/40/34/304064034.db2.gz OZPUGUDUDYMFHC-GFCCVEGCSA-N 0 3 344.371 1.684 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000563845268 306349371 /nfs/dbraw/zinc/34/93/71/306349371.db2.gz CCXADLLYLDIHEB-GFCCVEGCSA-N 0 3 348.403 1.696 20 5 EDBDHN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000072722397 203243943 /nfs/dbraw/zinc/24/39/43/203243943.db2.gz OEYYSCDGVFBOLM-UHFFFAOYSA-N 0 3 332.404 1.728 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@H](C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000237239567 139045527 /nfs/dbraw/zinc/04/55/27/139045527.db2.gz CDIKHWFVCIPTOC-JTQLQIEISA-N 0 3 331.394 1.255 20 5 EDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1n1ccnc1 ZINC000129487919 205198999 /nfs/dbraw/zinc/19/89/99/205198999.db2.gz WUDODYDOEHJYLK-HIFRSBDPSA-N 0 3 331.376 1.536 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000133951830 205385401 /nfs/dbraw/zinc/38/54/01/205385401.db2.gz DFBUAOVJJJTABQ-CYBMUJFWSA-N 0 3 348.403 1.642 20 5 EDBDHN CCOc1ccc([C@H](C)NCCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000152708001 205778714 /nfs/dbraw/zinc/77/87/14/205778714.db2.gz VCOOXOJOCGZYHH-NSHDSACASA-N 0 3 345.421 1.583 20 5 EDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262275013 139265803 /nfs/dbraw/zinc/26/58/03/139265803.db2.gz TVCUFELUFMWSIB-IIDMSEBBSA-N 0 3 347.415 1.786 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176249638 207207157 /nfs/dbraw/zinc/20/71/57/207207157.db2.gz LDJJVDDFNNIKFE-HNNXBMFYSA-N 0 3 329.404 1.998 20 5 EDBDHN CC(C)[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000488014225 255041171 /nfs/dbraw/zinc/04/11/71/255041171.db2.gz YIGPHWCDALBZJX-NVXWUHKLSA-N 0 3 337.420 1.607 20 5 EDBDHN CC(C)C1CC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000488415323 255043522 /nfs/dbraw/zinc/04/35/22/255043522.db2.gz GXHDNEYUUZTTBK-UHFFFAOYSA-N 0 3 341.433 1.897 20 5 EDBDHN CCN(CCO)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492592938 255181762 /nfs/dbraw/zinc/18/17/62/255181762.db2.gz JHWZOMPSCFKYRV-GQCTYLIASA-N 0 3 325.340 1.178 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000493259766 255200055 /nfs/dbraw/zinc/20/00/55/255200055.db2.gz BHDGDJYLRTXKRN-LGZALOBFSA-N 0 3 341.371 1.295 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H](O)CN1CCOCC1 ZINC000347363543 533407037 /nfs/dbraw/zinc/40/70/37/533407037.db2.gz RSFCRXXWOMRDCS-SPQRHKFCSA-N 0 3 349.431 1.623 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000265646719 139493785 /nfs/dbraw/zinc/49/37/85/139493785.db2.gz XUZAFMWAQJMCEE-UHFFFAOYSA-N 0 3 325.340 1.311 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CNCC[C@@H]2C)c1C ZINC000193409799 291994793 /nfs/dbraw/zinc/99/47/93/291994793.db2.gz YGJJEQKFJVKODE-TVQRCGJNSA-N 0 3 327.406 1.488 20 5 EDBDHN CN(C)C(=O)CCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271182112 140252422 /nfs/dbraw/zinc/25/24/22/140252422.db2.gz KILKRMIFOCTZNJ-FNORWQNLSA-N 0 3 346.431 1.704 20 5 EDBDHN CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1N(C)C ZINC000331527745 141043470 /nfs/dbraw/zinc/04/34/70/141043470.db2.gz QOARMHUYHUCDPC-UONOGXRCSA-N 0 3 335.433 1.949 20 5 EDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCN2CCC[C@@H]2C1 ZINC000332678845 141227913 /nfs/dbraw/zinc/22/79/13/141227913.db2.gz UEEMUSWNUOMBSC-SNVBAGLBSA-N 0 3 325.315 1.722 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000332680262 141228163 /nfs/dbraw/zinc/22/81/63/141228163.db2.gz SDKNNAJETXHXAI-CHWSQXEVSA-N 0 3 343.387 1.993 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])N(C)C1 ZINC000345146101 143057270 /nfs/dbraw/zinc/05/72/70/143057270.db2.gz OGHYIOSTAXWRRI-CHWSQXEVSA-N 0 3 336.392 1.184 20 5 EDBDHN CN1C(=O)N[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000345675302 143120100 /nfs/dbraw/zinc/12/01/00/143120100.db2.gz MFRVYGNHIWVNGS-CHWSQXEVSA-N 0 3 347.375 1.021 20 5 EDBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000369692463 155136972 /nfs/dbraw/zinc/13/69/72/155136972.db2.gz NGCKDYQGMNEJCW-GFCCVEGCSA-N 0 3 346.391 1.327 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352819185 149180046 /nfs/dbraw/zinc/18/00/46/149180046.db2.gz VVRCAVQMHPQJAV-BXKDBHETSA-N 0 3 325.390 1.883 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000355750865 150385201 /nfs/dbraw/zinc/38/52/01/150385201.db2.gz JREUHIOSXRJPMZ-INIZCTEOSA-N 0 3 331.376 1.377 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000358061527 151252811 /nfs/dbraw/zinc/25/28/11/151252811.db2.gz GRVAWQFKTOSPAE-CYBMUJFWSA-N 0 3 347.293 1.410 20 5 EDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1CS(=O)(=O)CCO1 ZINC000358307428 151332719 /nfs/dbraw/zinc/33/27/19/151332719.db2.gz QKCVQQPEBMBASF-TZMCWYRMSA-N 0 3 342.417 1.319 20 5 EDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000370079629 155314749 /nfs/dbraw/zinc/31/47/49/155314749.db2.gz FPENMLCAZSYTFV-IOASZLSFSA-N 0 3 332.404 1.948 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)N2CCN(C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000360528289 152082047 /nfs/dbraw/zinc/08/20/47/152082047.db2.gz MQJCKNMJGFHIPR-CYBMUJFWSA-N 0 3 348.403 1.186 20 5 EDBDHN Cc1c([C@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000360847047 152228227 /nfs/dbraw/zinc/22/82/27/152228227.db2.gz GPJSSPLHTOOWKF-UKRRQHHQSA-N 0 3 334.380 1.031 20 5 EDBDHN N=C(NO)[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000363781253 153054659 /nfs/dbraw/zinc/05/46/59/153054659.db2.gz ROMGTZZMPMCHNB-ZDUSSCGKSA-N 0 3 336.348 1.772 20 5 EDBDHN Cc1cc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)ncc1[N+](=O)[O-] ZINC000363923870 153097643 /nfs/dbraw/zinc/09/76/43/153097643.db2.gz STWQDUDEWRBTEF-OAHLLOKOSA-N 0 3 333.436 1.903 20 5 EDBDHN CN1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000364861252 153353480 /nfs/dbraw/zinc/35/34/80/153353480.db2.gz ZAFHQOIBXWQWGM-LSDHHAIUSA-N 0 3 339.417 1.842 20 5 EDBDHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000372806087 156542478 /nfs/dbraw/zinc/54/24/78/156542478.db2.gz PBOJIALUKPBQSH-WMLDXEAASA-N 0 3 331.372 1.641 20 5 EDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](N2CCCCC2)C1 ZINC000373953369 157081355 /nfs/dbraw/zinc/08/13/55/157081355.db2.gz FJFSVWSAFYPIPS-LBPRGKRZSA-N 0 3 333.392 1.543 20 5 EDBDHN C[C@@H](N[C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000375507474 157591527 /nfs/dbraw/zinc/59/15/27/157591527.db2.gz WSQXDBZBWBKTJK-JDSLSITLSA-N 0 3 343.387 1.999 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000378592372 158215627 /nfs/dbraw/zinc/21/56/27/158215627.db2.gz JSUYUVISQQHBII-GDBMZVCRSA-N 0 3 338.408 1.291 20 5 EDBDHN CCN1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3)C2)CC1 ZINC000352405190 162166329 /nfs/dbraw/zinc/16/63/29/162166329.db2.gz LMWAREAGXLZATN-MRXNPFEDSA-N 0 3 348.447 1.815 20 5 EDBDHN CCCN1CCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000352491311 162209749 /nfs/dbraw/zinc/20/97/49/162209749.db2.gz PUJJMYWBDCHVGQ-OAHLLOKOSA-N 0 3 341.433 1.889 20 5 EDBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000352551553 162247217 /nfs/dbraw/zinc/24/72/17/162247217.db2.gz OIMCMUYFEWKOHR-GFCCVEGCSA-N 0 3 329.422 1.994 20 5 EDBDHN COc1ccc(OCCN2CCCC[C@@H]2C(=N)NO)c([N+](=O)[O-])c1 ZINC000364398282 162325400 /nfs/dbraw/zinc/32/54/00/162325400.db2.gz RWGKASGOMBEGHI-GFCCVEGCSA-N 0 3 338.364 1.793 20 5 EDBDHN COc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000366549281 162392545 /nfs/dbraw/zinc/39/25/45/162392545.db2.gz DUTWDMBFYGFEIM-CQSZACIVSA-N 0 3 349.387 1.587 20 5 EDBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000123499472 222288293 /nfs/dbraw/zinc/28/82/93/222288293.db2.gz XTKGEKDGKBITHS-NSHDSACASA-N 0 3 347.462 1.975 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000279257859 268806088 /nfs/dbraw/zinc/80/60/88/268806088.db2.gz UOZMGJFMAPKQST-LLVKDONJSA-N 0 3 338.383 1.966 20 5 EDBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCN1CCCCCC1 ZINC000127711136 272925998 /nfs/dbraw/zinc/92/59/98/272925998.db2.gz XBSFAEOCWAKDDJ-UHFFFAOYSA-N 0 3 342.421 1.530 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC(=O)NCC(F)F ZINC000280857619 273407304 /nfs/dbraw/zinc/40/73/04/273407304.db2.gz MZHSCTIERGMFGG-SECBINFHSA-N 0 3 344.318 1.283 20 5 EDBDHN CN1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000284703966 274300671 /nfs/dbraw/zinc/30/06/71/274300671.db2.gz SVCIDBLYSFPQBX-GJZGRUSLSA-N 0 3 336.348 1.408 20 5 EDBDHN COc1cc(CN(C)C[C@@H]2C[C@H](OC)CN2C)c([N+](=O)[O-])cc1F ZINC000284751876 274318307 /nfs/dbraw/zinc/31/83/07/274318307.db2.gz FXBGXXIABVNZMS-STQMWFEESA-N 0 3 341.383 1.893 20 5 EDBDHN CN1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1Cc1ccccc1 ZINC000284938213 274394419 /nfs/dbraw/zinc/39/44/19/274394419.db2.gz YPANYOFIFZIIOW-MRXNPFEDSA-N 0 3 329.404 1.650 20 5 EDBDHN CCN1CCC[C@@H]1CN(C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272949267 276170168 /nfs/dbraw/zinc/17/01/68/276170168.db2.gz XDRFOPMPKFTOMV-GFCCVEGCSA-N 0 3 342.421 1.163 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@H]1CCO ZINC000286310830 287979525 /nfs/dbraw/zinc/97/95/25/287979525.db2.gz WBJRKJBEMISHBC-AAEUAGOBSA-N 0 3 337.376 1.683 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@@H]1CCO ZINC000286310834 287979530 /nfs/dbraw/zinc/97/95/30/287979530.db2.gz WBJRKJBEMISHBC-DGCLKSJQSA-N 0 3 337.376 1.683 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287387494 288226462 /nfs/dbraw/zinc/22/64/62/288226462.db2.gz INRUBMODZXAGCX-GXTWGEPZSA-N 0 3 343.387 1.958 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC[NH+](C)C)c1C ZINC000347170334 281015886 /nfs/dbraw/zinc/01/58/86/281015886.db2.gz FKCKVNKMINFTSD-UHFFFAOYSA-N 0 3 345.421 1.068 20 5 EDBDHN CC1(C)OCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000294776515 303146060 /nfs/dbraw/zinc/14/60/60/303146060.db2.gz NMKHUKGLCYLWOL-ZDUSSCGKSA-N 0 3 343.405 1.030 20 5 EDBDHN C[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN(C2CC2)C1 ZINC000295482092 303225067 /nfs/dbraw/zinc/22/50/67/303225067.db2.gz ZDAGFIMUYFYASF-LLVKDONJSA-N 0 3 347.371 1.880 20 5 EDBDHN Cc1cc(F)c(NC(=O)C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000295887054 303279927 /nfs/dbraw/zinc/27/99/27/303279927.db2.gz BDSRHBOINQMOIA-UHFFFAOYSA-N 0 3 338.339 1.191 20 5 EDBDHN O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCN1CCCC1 ZINC000296749405 303335929 /nfs/dbraw/zinc/33/59/29/303335929.db2.gz POFOXRJNLIGQRP-UHFFFAOYSA-N 0 3 339.373 1.225 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@H](N(C)C)C1 ZINC000301143961 303662996 /nfs/dbraw/zinc/66/29/96/303662996.db2.gz DWHAWXSAYBBBLT-VIFPVBQESA-N 0 3 338.320 1.430 20 5 EDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427742409 304995860 /nfs/dbraw/zinc/99/58/60/304995860.db2.gz PERYFFLZJPCTII-HNNXBMFYSA-N 0 3 343.387 1.947 20 5 EDBDHN CCN1CCN([C@@H](C)CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000427985518 305003144 /nfs/dbraw/zinc/00/31/44/305003144.db2.gz UTHDGGVKCOCPKJ-LBPRGKRZSA-N 0 3 332.408 1.331 20 5 EDBDHN COC(=O)[C@]1(c2ccccc2)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000428773481 305017213 /nfs/dbraw/zinc/01/72/13/305017213.db2.gz RILNBZRLSXWOGE-QGZVFWFLSA-N 0 3 344.371 1.608 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2n[nH]nc2C1 ZINC000429303172 305028314 /nfs/dbraw/zinc/02/83/14/305028314.db2.gz BACKEHXTYASYCM-UHFFFAOYSA-N 0 3 346.347 1.108 20 5 EDBDHN CCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448917610 305304103 /nfs/dbraw/zinc/30/41/03/305304103.db2.gz LAUJFLHXNYLENX-AWEZNQCLSA-N 0 3 343.387 1.995 20 5 EDBDHN CN(C)CCOCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450435364 305329732 /nfs/dbraw/zinc/32/97/32/305329732.db2.gz HVQDQWCVVGETSH-UHFFFAOYSA-N 0 3 349.309 1.922 20 5 EDBDHN CO[C@@H]1C[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000451497527 305349507 /nfs/dbraw/zinc/34/95/07/305349507.db2.gz MTKKTJRKPVWWFJ-HUUCEWRRSA-N 0 3 333.388 1.887 20 5 EDBDHN CNc1nc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456046487 305450693 /nfs/dbraw/zinc/45/06/93/305450693.db2.gz GEPWNZDOXUNZTR-VXGBXAGGSA-N 0 3 333.392 1.730 20 5 EDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000517756381 305756226 /nfs/dbraw/zinc/75/62/26/305756226.db2.gz HTTVDNIRGIIWBR-KBMXLJTQSA-N 0 3 335.404 1.297 20 5 EDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000524061190 305813629 /nfs/dbraw/zinc/81/36/29/305813629.db2.gz ISJHOBWMUGENNN-LBPRGKRZSA-N 0 3 349.387 1.970 20 5 EDBDHN Cc1nccn1CCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000534219666 306004485 /nfs/dbraw/zinc/00/44/85/306004485.db2.gz IVTSRTRHCSWKBZ-UHFFFAOYSA-N 0 3 330.392 1.707 20 5 EDBDHN Cn1cc(C(C)(C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000547412763 306100138 /nfs/dbraw/zinc/10/01/38/306100138.db2.gz DNRJXWZGDPLWHA-CYBMUJFWSA-N 0 3 334.376 1.593 20 5 EDBDHN COc1cc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c([N+](=O)[O-])cc1[O-] ZINC000449461913 447375552 /nfs/dbraw/zinc/37/55/52/447375552.db2.gz UJBPOLXZDMLGFM-BONVTDFDSA-N 0 3 326.349 1.450 20 5 EDBDHN C[C@@H]1CCCN(CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000080154207 441145798 /nfs/dbraw/zinc/14/57/98/441145798.db2.gz XKAQZZPGPXEBBC-LLVKDONJSA-N 0 3 342.421 1.386 20 5 EDBDHN C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000047270861 441172193 /nfs/dbraw/zinc/17/21/93/441172193.db2.gz CEAYOBHFPIPWRU-ZDUSSCGKSA-N 0 3 335.408 1.600 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(CCC(F)(F)F)CC2CC2)c1 ZINC000084137691 441384561 /nfs/dbraw/zinc/38/45/61/441384561.db2.gz LRKLGFLMNATHMR-LBPRGKRZSA-N 0 3 336.314 1.817 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3ccccc3F)C2)c1 ZINC000075718546 441551267 /nfs/dbraw/zinc/55/12/67/441551267.db2.gz CMTIGEVTALJAEK-JSGCOSHPSA-N 0 3 334.351 1.781 20 5 EDBDHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000032073077 441544866 /nfs/dbraw/zinc/54/48/66/441544866.db2.gz GXHMCKCFQLBZGP-NSHDSACASA-N 0 3 345.421 1.612 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@H](C)CN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000032663105 441564118 /nfs/dbraw/zinc/56/41/18/441564118.db2.gz MBWYEVZUKZTLFH-GFCCVEGCSA-N 0 3 349.387 1.986 20 5 EDBDHN O=C(NCCN1CCCCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067150576 441610973 /nfs/dbraw/zinc/61/09/73/441610973.db2.gz ADHWHLVFYPBQTD-UHFFFAOYSA-N 0 3 349.387 1.972 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)[C@@H]1CCc2ccccc21 ZINC000090551812 441633396 /nfs/dbraw/zinc/63/33/96/441633396.db2.gz IRTDUIPLTSLHID-QGZVFWFLSA-N 0 3 343.383 1.738 20 5 EDBDHN CC1(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)OCCO1 ZINC000090559385 441634180 /nfs/dbraw/zinc/63/41/80/441634180.db2.gz MNHGHLVTFCWUHN-UHFFFAOYSA-N 0 3 337.376 1.232 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000090564491 441635933 /nfs/dbraw/zinc/63/59/33/441635933.db2.gz LWIAVHIHKHOTNT-PBHICJAKSA-N 0 3 346.431 1.705 20 5 EDBDHN CCN(CC)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121474278 441713120 /nfs/dbraw/zinc/71/31/20/441713120.db2.gz OQCIVYOEPYPEPX-UHFFFAOYSA-N 0 3 336.392 1.608 20 5 EDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173550260 441787656 /nfs/dbraw/zinc/78/76/56/441787656.db2.gz HTPBJQLVIFUHJR-INIZCTEOSA-N 0 3 335.404 1.707 20 5 EDBDHN CN(C)Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000122325910 441845134 /nfs/dbraw/zinc/84/51/34/441845134.db2.gz DOHAZAXILAPRNZ-UHFFFAOYSA-N 0 3 330.344 1.457 20 5 EDBDHN COc1cc(N2CCN([C@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000078262967 441912426 /nfs/dbraw/zinc/91/24/26/441912426.db2.gz CKXIRDNMINHBPK-HNNXBMFYSA-N 0 3 334.420 1.820 20 5 EDBDHN C[C@@H]1CCCN(CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000069006805 441879111 /nfs/dbraw/zinc/87/91/11/441879111.db2.gz JZLSTKPYPPUFKF-GFCCVEGCSA-N 0 3 339.367 1.961 20 5 EDBDHN Cc1c(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000118130129 441890236 /nfs/dbraw/zinc/89/02/36/441890236.db2.gz NUGWQPNUNYXNRI-SNVBAGLBSA-N 0 3 334.376 1.441 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000146598816 441897694 /nfs/dbraw/zinc/89/76/94/441897694.db2.gz BUZVKKHYJCFQHU-CQSZACIVSA-N 0 3 339.417 1.762 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000151603531 442090989 /nfs/dbraw/zinc/09/09/89/442090989.db2.gz SJKSGWNAKYOOBO-MRXNPFEDSA-N 0 3 332.404 1.646 20 5 EDBDHN CN1CCC[C@@H]1C(=O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162575686 442105066 /nfs/dbraw/zinc/10/50/66/442105066.db2.gz BDIYYDQDKJEPMU-QGZVFWFLSA-N 0 3 346.431 1.376 20 5 EDBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000163778047 442181298 /nfs/dbraw/zinc/18/12/98/442181298.db2.gz VAKOPFHJBLHWNB-UHFFFAOYSA-N 0 3 349.366 1.671 20 5 EDBDHN COc1ccc(NC(=O)CN2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000170713262 442251890 /nfs/dbraw/zinc/25/18/90/442251890.db2.gz GHFDHARQGPMZKZ-ZDUSSCGKSA-N 0 3 348.403 1.712 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000177585773 442359632 /nfs/dbraw/zinc/35/96/32/442359632.db2.gz ZOKHQBXWNPQZFI-MRXNPFEDSA-N 0 3 338.408 1.841 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCN2CCCC2)c1C ZINC000178283548 442421574 /nfs/dbraw/zinc/42/15/74/442421574.db2.gz UHVGTSWRNCCLRB-UHFFFAOYSA-N 0 3 341.433 1.976 20 5 EDBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC000186628243 442577423 /nfs/dbraw/zinc/57/74/23/442577423.db2.gz PGCZRJICKZRBND-CQSZACIVSA-N 0 3 329.360 1.605 20 5 EDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180389390 442592056 /nfs/dbraw/zinc/59/20/56/442592056.db2.gz GNDKAVOXQZFBIU-NSHDSACASA-N 0 3 335.360 1.928 20 5 EDBDHN CN1CCN([C@@H]2CCCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000173282758 442641160 /nfs/dbraw/zinc/64/11/60/442641160.db2.gz SCVNXCXGPGPQNM-QGZVFWFLSA-N 0 3 346.431 1.837 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000193242743 442725368 /nfs/dbraw/zinc/72/53/68/442725368.db2.gz XFSYWFHOIYBBSE-FUNVUKJBSA-N 0 3 339.417 1.773 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2=CC[NH2+]CC2)c1C ZINC000193387953 442738360 /nfs/dbraw/zinc/73/83/60/442738360.db2.gz APYQUBZZQJFZIW-UHFFFAOYSA-N 0 3 325.390 1.410 20 5 EDBDHN C[C@@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000193406980 442739743 /nfs/dbraw/zinc/73/97/43/442739743.db2.gz IWNYSWKYAIWACD-LDYMZIIASA-N 0 3 333.797 1.525 20 5 EDBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000163550771 318427259 /nfs/dbraw/zinc/42/72/59/318427259.db2.gz CPMUDBCZUIWYOP-UHFFFAOYSA-N 0 3 337.424 1.912 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc2c(c1)CNC2 ZINC000189211117 442897995 /nfs/dbraw/zinc/89/79/95/442897995.db2.gz ODCSAFOTYYHBRE-UHFFFAOYSA-N 0 3 347.396 1.985 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000268237099 442912143 /nfs/dbraw/zinc/91/21/43/442912143.db2.gz MJIDZPXMHUFHSC-JQWIXIFHSA-N 0 3 343.405 1.174 20 5 EDBDHN CC(C)N1C[C@H](C)[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000268259930 442921834 /nfs/dbraw/zinc/92/18/34/442921834.db2.gz RBLKLUACWQMFKO-GXFFZTMASA-N 0 3 342.421 1.383 20 5 EDBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183359653 442924811 /nfs/dbraw/zinc/92/48/11/442924811.db2.gz ZABZTXWXZWWRJN-UHFFFAOYSA-N 0 3 343.387 1.776 20 5 EDBDHN CN(C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000183381810 318522902 /nfs/dbraw/zinc/52/29/02/318522902.db2.gz YZRHVTMGPTZZTA-UHFFFAOYSA-N 0 3 329.360 1.564 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@H]1CCOC1 ZINC000266267346 443080421 /nfs/dbraw/zinc/08/04/21/443080421.db2.gz ATODWBGZERJLNP-WOPDTQHZSA-N 0 3 337.376 1.945 20 5 EDBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCN1CCC(O)CC1 ZINC000255051174 443082938 /nfs/dbraw/zinc/08/29/38/443082938.db2.gz HEOPUIVTXSVFHT-SREVYHEPSA-N 0 3 333.388 1.571 20 5 EDBDHN COCCN(C)CCCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185000521 443115248 /nfs/dbraw/zinc/11/52/48/443115248.db2.gz QEVHXFCXGQSANU-LBPRGKRZSA-N 0 3 341.383 1.922 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000299412034 318900477 /nfs/dbraw/zinc/90/04/77/318900477.db2.gz OZOONCSAMFXLNY-HNNXBMFYSA-N 0 3 345.403 1.909 20 5 EDBDHN [NH3+]C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382527350 319123877 /nfs/dbraw/zinc/12/38/77/319123877.db2.gz VIXGFBSECDVXIP-SCZZXKLOSA-N 0 3 333.797 1.654 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246158132 443273854 /nfs/dbraw/zinc/27/38/54/443273854.db2.gz LLIUOFVODCDTNQ-CHWSQXEVSA-N 0 3 341.433 1.864 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000272493299 443338645 /nfs/dbraw/zinc/33/86/45/443338645.db2.gz NEASOYZIEYZUHJ-KGLIPLIRSA-N 0 3 335.408 1.351 20 5 EDBDHN Cc1nnc(CCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000272552663 443361034 /nfs/dbraw/zinc/36/10/34/443361034.db2.gz RNFMMVHDCLTSLJ-HNNXBMFYSA-N 0 3 341.375 1.677 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267340725 443424288 /nfs/dbraw/zinc/42/42/88/443424288.db2.gz CTZFXXDWUBLNDJ-UHFFFAOYSA-N 0 3 341.795 1.825 20 5 EDBDHN Cc1cc(NC[C@@H](O)CN2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272887673 443479477 /nfs/dbraw/zinc/47/94/77/443479477.db2.gz XGLGLGVQJQYSJF-CQSZACIVSA-N 0 3 346.387 1.556 20 5 EDBDHN CCN(CCC(=O)OC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273029856 443523822 /nfs/dbraw/zinc/52/38/22/443523822.db2.gz MQJRIDVBAOLWBR-LBPRGKRZSA-N 0 3 326.349 1.220 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1=CCN(C)CC1 ZINC000274252685 443600693 /nfs/dbraw/zinc/60/06/93/443600693.db2.gz IKODYHGVMZRQNK-UHFFFAOYSA-N 0 3 346.387 1.528 20 5 EDBDHN O=C(N[C@H]1CNCCC1(F)F)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000449660301 320197128 /nfs/dbraw/zinc/19/71/28/320197128.db2.gz FWMRGEOMOKFHFJ-JTQLQIEISA-N 0 3 325.275 1.198 20 5 EDBDHN CC(C)N1CC[C@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457092260 320319304 /nfs/dbraw/zinc/31/93/04/320319304.db2.gz WVQKGUIADSEIAE-HNNXBMFYSA-N 0 3 348.403 1.266 20 5 EDBDHN CC(C)N(CCN1C(=O)N[C@@H](C)C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000459306873 320345957 /nfs/dbraw/zinc/34/59/57/320345957.db2.gz QDKVVZZBDXPRCC-LBPRGKRZSA-N 0 3 334.376 1.746 20 5 EDBDHN COC(=O)c1cnc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000276527874 443735096 /nfs/dbraw/zinc/73/50/96/443735096.db2.gz HCDKTYMVXRUXNG-LBPRGKRZSA-N 0 3 338.364 1.035 20 5 EDBDHN CN1CCO[C@@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284956984 443798217 /nfs/dbraw/zinc/79/82/17/443798217.db2.gz XEBZTTAQRTXZND-IAGOWNOFSA-N 0 3 335.404 1.769 20 5 EDBDHN O=c1[nH]c(N2CCN3CCCC[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000280940482 443779539 /nfs/dbraw/zinc/77/95/39/443779539.db2.gz IKTCOMGKHXXSRX-GFCCVEGCSA-N 0 3 329.360 1.918 20 5 EDBDHN COC(=O)[C@@H](C)CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298759742 443860834 /nfs/dbraw/zinc/86/08/34/443860834.db2.gz ZLBCCHMDDBJASN-WCQYABFASA-N 0 3 326.349 1.075 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCC[NH+](C)C)c1 ZINC000293039183 443909199 /nfs/dbraw/zinc/90/91/99/443909199.db2.gz PWFMFXPXTMAYEX-UHFFFAOYSA-N 0 3 335.813 1.787 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COC1CCOCC1 ZINC000285455231 443991296 /nfs/dbraw/zinc/99/12/96/443991296.db2.gz YXMSXNPFWBKSJB-HNNXBMFYSA-N 0 3 338.404 1.626 20 5 EDBDHN CSc1ccc(F)cc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566110232 321215983 /nfs/dbraw/zinc/21/59/83/321215983.db2.gz HYKXHOJERJJXHP-ZDUSSCGKSA-N 0 3 340.380 1.803 20 5 EDBDHN C[C@H]1C[C@@H](N2CCOCC2)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000285880777 444139524 /nfs/dbraw/zinc/13/95/24/444139524.db2.gz JKTYCDRPGCGLKX-GOEBONIOSA-N 0 3 335.404 1.769 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000304311834 444246112 /nfs/dbraw/zinc/24/61/12/444246112.db2.gz MFWTXZKTGMGKHU-GOEBONIOSA-N 0 3 331.376 1.339 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000298113542 444419676 /nfs/dbraw/zinc/41/96/76/444419676.db2.gz MHONTXNRQCSLDK-UHFFFAOYSA-N 0 3 334.376 1.361 20 5 EDBDHN CCC[C@H](C)[C@@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580649184 322078268 /nfs/dbraw/zinc/07/82/68/322078268.db2.gz OXDTUGSYRZBMOQ-SWLSCSKDSA-N 0 3 344.433 1.755 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000581007398 322123269 /nfs/dbraw/zinc/12/32/69/322123269.db2.gz IGZXLKNINZQLTG-YXAMBPQSSA-N 0 3 340.376 1.117 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000342188503 444555013 /nfs/dbraw/zinc/55/50/13/444555013.db2.gz GTMGHYZPMAURJY-NSHDSACASA-N 0 3 325.365 1.186 20 5 EDBDHN C[C@@H](N[C@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338597361 444766881 /nfs/dbraw/zinc/76/68/81/444766881.db2.gz LKOGWXRRFNPDTD-MFKMUULPSA-N 0 3 334.376 1.569 20 5 EDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(C)C1=O ZINC000341319085 444776559 /nfs/dbraw/zinc/77/65/59/444776559.db2.gz YCOYGPGLBQDALE-SMDDNHRTSA-N 0 3 334.376 1.522 20 5 EDBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1)N(C)C ZINC000344259438 444867066 /nfs/dbraw/zinc/86/70/66/444867066.db2.gz COBOITFXXOPBNG-IUODEOHRSA-N 0 3 346.391 1.302 20 5 EDBDHN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCN1CCCCC1 ZINC000339218240 445095254 /nfs/dbraw/zinc/09/52/54/445095254.db2.gz VCOKJIJOLOSYDB-CYBMUJFWSA-N 0 3 348.403 1.315 20 5 EDBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000351960811 445402060 /nfs/dbraw/zinc/40/20/60/445402060.db2.gz WMIAXZTVWICULI-GXTWGEPZSA-N 0 3 344.375 1.138 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3c[nH]c4nccnc34)C2)nc1 ZINC000356131866 445637647 /nfs/dbraw/zinc/63/76/47/445637647.db2.gz URFDTQLQCBDUNQ-GFCCVEGCSA-N 0 3 339.359 1.899 20 5 EDBDHN CC[C@@H](NC(=O)NC[C@@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358707251 445731995 /nfs/dbraw/zinc/73/19/95/445731995.db2.gz ONQHYQCRJWXNCC-ZBFHGGJFSA-N 0 3 336.392 1.412 20 5 EDBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000351143097 445999883 /nfs/dbraw/zinc/99/98/83/445999883.db2.gz RLPBRHXWHALQKN-JMSVASOKSA-N 0 3 349.387 1.877 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000369330229 446079543 /nfs/dbraw/zinc/07/95/43/446079543.db2.gz LBXFBRROGZXKFT-OAHLLOKOSA-N 0 3 346.431 1.755 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000366315688 446144736 /nfs/dbraw/zinc/14/47/36/446144736.db2.gz SBPYXSJVXIOWJC-JDICNCQASA-N 0 3 331.781 1.053 20 5 EDBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000362016963 446156026 /nfs/dbraw/zinc/15/60/26/446156026.db2.gz BCWLVZXNSHYSGX-TUKIKUTGSA-N 0 3 337.376 1.705 20 5 EDBDHN COc1ccc2c(c1)[C@H](N)CCN2C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000365495426 446230879 /nfs/dbraw/zinc/23/08/79/446230879.db2.gz SAHDLIWKHPEHKD-CYBMUJFWSA-N 0 3 345.359 1.545 20 5 EDBDHN CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000370917306 446519362 /nfs/dbraw/zinc/51/93/62/446519362.db2.gz MIVXCROJAZNBGM-WBVHZDCISA-N 0 3 343.387 1.525 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]21 ZINC000452974545 446523847 /nfs/dbraw/zinc/52/38/47/446523847.db2.gz LXFUJGCMMPYNRW-BZNIZROVSA-N 0 3 328.372 1.781 20 5 EDBDHN COCCCN1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000371002753 446567653 /nfs/dbraw/zinc/56/76/53/446567653.db2.gz CQMRRLMHOUWGIE-QGZVFWFLSA-N 0 3 337.420 1.672 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CNCC[C@H]2C)c1 ZINC000420437171 446612588 /nfs/dbraw/zinc/61/25/88/446612588.db2.gz PMOFFEHAGQJXIC-ZYHUDNBSSA-N 0 3 327.406 1.488 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CNCCC1(F)F ZINC000420437434 446612702 /nfs/dbraw/zinc/61/27/02/446612702.db2.gz CMGCYJXTHLTZEM-LLVKDONJSA-N 0 3 335.332 1.179 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]2CN(C)C)c1F ZINC000411916413 446732255 /nfs/dbraw/zinc/73/22/55/446732255.db2.gz YTLDFRLGAJHUOJ-LLVKDONJSA-N 0 3 339.367 1.838 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411981684 446773982 /nfs/dbraw/zinc/77/39/82/446773982.db2.gz ORWBPKOOUOTIFE-IXDOHACOSA-N 0 3 347.415 1.925 20 5 EDBDHN CN1C(=O)C[C@@H](NCCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)cc1 ZINC000368462346 446877722 /nfs/dbraw/zinc/87/77/22/446877722.db2.gz NSXYPILJQSSUDH-GDBMZVCRSA-N 0 3 347.350 1.492 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420940573 446914517 /nfs/dbraw/zinc/91/45/17/446914517.db2.gz DQKMUQHBLBQQBV-CMPLNLGQSA-N 0 3 336.314 1.817 20 5 EDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000371548398 446927940 /nfs/dbraw/zinc/92/79/40/446927940.db2.gz ZSSAVQZNNWHGHL-BLLLJJGKSA-N 0 3 332.404 1.827 20 5 EDBDHN CN(c1ncc([N+](=O)[O-])cc1F)C1CCN(CCn2cccn2)CC1 ZINC000413134947 447025560 /nfs/dbraw/zinc/02/55/60/447025560.db2.gz RHVSGXHQTNAAEI-UHFFFAOYSA-N 0 3 348.382 1.926 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421305477 447119801 /nfs/dbraw/zinc/11/98/01/447119801.db2.gz MZRMYAFNBKGBNV-ZDUSSCGKSA-N 0 3 348.403 1.703 20 5 EDBDHN C[C@H]1C[C@H]1CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421395545 447149031 /nfs/dbraw/zinc/14/90/31/447149031.db2.gz YUBPCZRLXTXWDF-RYUDHWBXSA-N 0 3 327.406 1.461 20 5 EDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425543726 447220928 /nfs/dbraw/zinc/22/09/28/447220928.db2.gz IEBFEPXTFBMEGO-QWRGUYRKSA-N 0 3 330.348 1.529 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416357893 447579694 /nfs/dbraw/zinc/57/96/94/447579694.db2.gz FJCGZOFZKBAGFP-UHFFFAOYSA-N 0 3 329.422 1.832 20 5 EDBDHN Cc1ccnc(NCC(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000431483183 447808987 /nfs/dbraw/zinc/80/89/87/447808987.db2.gz MUCXVODFSOQVEY-UHFFFAOYSA-N 0 3 335.408 1.702 20 5 EDBDHN C[C@]1(F)CNCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000569823568 447900864 /nfs/dbraw/zinc/90/08/64/447900864.db2.gz DKEMIJSIBQFQFS-NSHDSACASA-N 0 3 333.161 1.890 20 5 EDBDHN Cc1ccc(C)c(OC[C@@H](O)CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000576220090 448001759 /nfs/dbraw/zinc/00/17/59/448001759.db2.gz CLRVJFHEUSWSQW-HNNXBMFYSA-N 0 3 334.376 1.438 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000525805636 448029529 /nfs/dbraw/zinc/02/95/29/448029529.db2.gz XVIOZMLEJRLGJL-GFCCVEGCSA-N 0 3 344.375 1.247 20 5 EDBDHN CC(COC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497044250 448152291 /nfs/dbraw/zinc/15/22/91/448152291.db2.gz MRDRPYAIRHDAHE-SFYZADRCSA-N 0 3 326.296 1.743 20 5 EDBDHN CC(=O)c1ccc(OC[C@H](O)CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000571433306 448153716 /nfs/dbraw/zinc/15/37/16/448153716.db2.gz WRRBMOMKGIHNPX-OAHLLOKOSA-N 0 3 348.359 1.023 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]cc(CCN[C@H]3CCCS(=O)(=O)C3)c2c1 ZINC000514627885 448176058 /nfs/dbraw/zinc/17/60/58/448176058.db2.gz GVMQTTMXEQTIFI-LBPRGKRZSA-N 0 3 337.401 1.785 20 5 EDBDHN CN(Cc1cc(C(C)(C)C)[nH]n1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577180332 448228366 /nfs/dbraw/zinc/22/83/66/448228366.db2.gz FPOFAQWDBAOFPQ-CYBMUJFWSA-N 0 3 336.396 1.305 20 5 EDBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)C1 ZINC000577203942 448235470 /nfs/dbraw/zinc/23/54/70/448235470.db2.gz KGGWQSRRRYCMQF-KRWDZBQOSA-N 0 3 347.371 1.534 20 5 EDBDHN Cn1ccnc1[C@H](NC[C@@H]1C[C@H](F)CN1)c1cccc([N+](=O)[O-])c1 ZINC000591581768 448396192 /nfs/dbraw/zinc/39/61/92/448396192.db2.gz RJFAXBCYFMQYCG-KCQAQPDRSA-N 0 3 333.367 1.707 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572748137 448455577 /nfs/dbraw/zinc/45/55/77/448455577.db2.gz AVNZPGYSLDWREG-CQSZACIVSA-N 0 3 336.392 1.709 20 5 EDBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000591756718 448482404 /nfs/dbraw/zinc/48/24/04/448482404.db2.gz TZDYQMDXUAFLGT-WFASDCNBSA-N 0 3 336.392 1.232 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2c3ccccc3C[C@H]2O)c1 ZINC000572960687 448507771 /nfs/dbraw/zinc/50/77/71/448507771.db2.gz KDOWVNLELAZEAJ-QGTPRVQTSA-N 0 3 344.367 1.582 20 5 EDBDHN Cc1noc(C)c1CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000516965850 448510479 /nfs/dbraw/zinc/51/04/79/448510479.db2.gz OKBBBZCJXBTYIJ-AWEZNQCLSA-N 0 3 335.360 1.772 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000578856025 448651559 /nfs/dbraw/zinc/65/15/59/448651559.db2.gz BBBYMXLIMKPYKP-CYBMUJFWSA-N 0 3 348.403 1.608 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592523789 448877016 /nfs/dbraw/zinc/87/70/16/448877016.db2.gz BZHMZRVNYHTYHR-OWNNVSBGSA-N 0 3 332.404 1.660 20 5 EDBDHN CCN1CCCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000520552728 448909051 /nfs/dbraw/zinc/90/90/51/448909051.db2.gz JWUYPIRDLXYXMR-OAHLLOKOSA-N 0 3 347.419 1.513 20 5 EDBDHN C[C@H](CO)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000593081325 449126336 /nfs/dbraw/zinc/12/63/36/449126336.db2.gz CHRTWHJXZJNYAC-CJNGLKHVSA-N 0 3 338.404 1.675 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595780824 449161510 /nfs/dbraw/zinc/16/15/10/449161510.db2.gz ITWFWICYPXIMDI-LKTVYLICSA-N 0 3 349.387 1.824 20 5 EDBDHN O=C1[C@H](N[C@@H]2C[C@H](O)C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595786102 449164615 /nfs/dbraw/zinc/16/46/15/449164615.db2.gz ZVVDCPDMUZSCCH-KFWWJZLASA-N 0 3 331.372 1.593 20 5 EDBDHN CN(CCN1CCCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593113979 449141701 /nfs/dbraw/zinc/14/17/01/449141701.db2.gz YTJCBHHEUDHUHR-INIZCTEOSA-N 0 3 337.420 1.752 20 5 EDBDHN COc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590403018 449149724 /nfs/dbraw/zinc/14/97/24/449149724.db2.gz WFTLWXTUJBDBRX-UKRRQHHQSA-N 0 3 349.387 1.539 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](N(C)C)[C@@H]1C ZINC000590590466 449206795 /nfs/dbraw/zinc/20/67/95/449206795.db2.gz XMLNVKRISPAQOC-JSGCOSHPSA-N 0 3 341.433 1.925 20 5 EDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)[C@@H](CN)C(F)(F)F ZINC000595908634 449246704 /nfs/dbraw/zinc/24/67/04/449246704.db2.gz ODFGOSBUBUJLSA-KWQFWETISA-N 0 3 334.298 1.743 20 5 EDBDHN CN1CCN(CCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593390460 449259570 /nfs/dbraw/zinc/25/95/70/449259570.db2.gz CQLQNNRNEIUNFH-UHFFFAOYSA-N 0 3 338.383 1.030 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)nc1 ZINC000593556368 449346734 /nfs/dbraw/zinc/34/67/34/449346734.db2.gz HWCJFKQJWFXGRM-LBPRGKRZSA-N 0 3 340.405 1.096 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000598341656 449356359 /nfs/dbraw/zinc/35/63/59/449356359.db2.gz FLDGCEROMDEIJQ-SNVBAGLBSA-N 0 3 325.340 1.957 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594108944 449358233 /nfs/dbraw/zinc/35/82/33/449358233.db2.gz JKBPZZSGWJLMQH-UONOGXRCSA-N 0 3 334.376 1.440 20 5 EDBDHN CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCN(C)C1 ZINC000596177162 449398388 /nfs/dbraw/zinc/39/83/88/449398388.db2.gz APNZBSUOVZCFLB-CQSZACIVSA-N 0 3 336.392 1.839 20 5 EDBDHN CC(C)(C)N1CC[C@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000596307609 449467597 /nfs/dbraw/zinc/46/75/97/449467597.db2.gz NHOFREXZXAJUDK-NSHDSACASA-N 0 3 342.421 1.527 20 5 EDBDHN COC(=O)c1c(Cl)c(N[C@@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000596244054 449436134 /nfs/dbraw/zinc/43/61/34/449436134.db2.gz OFCJIHVSQSBELZ-MRVPVSSYSA-N 0 3 331.756 1.369 20 5 EDBDHN O=C(NCCN1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000598977746 449678380 /nfs/dbraw/zinc/67/83/80/449678380.db2.gz CKVFLALRUOGVHM-UHFFFAOYSA-N 0 3 347.350 1.745 20 5 EDBDHN C[C@H](C(=O)NCCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617698854 449743286 /nfs/dbraw/zinc/74/32/86/449743286.db2.gz XUGQGSACSDXAFD-HNNXBMFYSA-N 0 3 348.447 1.842 20 5 EDBDHN CS[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000602809322 449823914 /nfs/dbraw/zinc/82/39/14/449823914.db2.gz PQDAGONOEJOCEK-OLZOCXBDSA-N 0 3 325.438 1.340 20 5 EDBDHN CC(C)c1ccc(CNC[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000594975942 449827013 /nfs/dbraw/zinc/82/70/13/449827013.db2.gz XOQSRBOSZJJNDF-KRWDZBQOSA-N 0 3 338.404 1.976 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000602830204 449841703 /nfs/dbraw/zinc/84/17/03/449841703.db2.gz AQTRRJBBKQGNHK-AWEZNQCLSA-N 0 3 332.408 1.959 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601370554 449885035 /nfs/dbraw/zinc/88/50/35/449885035.db2.gz ZGXGAEJFPVDJCF-GWCFXTLKSA-N 0 3 345.396 1.613 20 5 EDBDHN CCCN1CC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595357010 450071989 /nfs/dbraw/zinc/07/19/89/450071989.db2.gz WIGVJLZCCFTHLL-CQSZACIVSA-N 0 3 341.433 1.541 20 5 EDBDHN Cc1noc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595406336 450118809 /nfs/dbraw/zinc/11/88/09/450118809.db2.gz CBXDMXVKHXLULL-TZMCWYRMSA-N 0 3 337.424 1.349 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639097 450121260 /nfs/dbraw/zinc/12/12/60/450121260.db2.gz YCJSEQLRVLVABB-GRDNDAEWSA-N 0 3 336.388 1.429 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610177406 450149758 /nfs/dbraw/zinc/14/97/58/450149758.db2.gz KEXLRLVJSMZEKY-RISCZKNCSA-N 0 3 349.387 1.778 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@H](COC)C2CC2)c([N+](=O)[O-])c1 ZINC000183473421 528511707 /nfs/dbraw/zinc/51/17/07/528511707.db2.gz DJQSYFRSXRUFTK-CQSZACIVSA-N 0 3 337.376 1.947 20 5 EDBDHN CCOC1CC(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000271716234 535760159 /nfs/dbraw/zinc/76/01/59/535760159.db2.gz CBUZNHBXTXPADI-UHFFFAOYSA-N 0 3 343.405 1.030 20 5 EDBDHN CC[C@H](C)[C@H](N)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000195140031 535953315 /nfs/dbraw/zinc/95/33/15/535953315.db2.gz WXIQXUUIYRBDSY-BONVTDFDSA-N 0 3 339.392 1.644 20 5 EDBDHN COC(=O)COc1ccc(CN[C@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000353242162 536477378 /nfs/dbraw/zinc/47/73/78/536477378.db2.gz YCOBSBDVQNAQMR-MRXNPFEDSA-N 0 3 338.360 1.805 20 5 EDBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000742241382 579445055 /nfs/dbraw/zinc/44/50/55/579445055.db2.gz UPOWMWYIRORVGS-CYBMUJFWSA-N 0 3 343.387 1.995 20 5 EDBDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736265353 578970104 /nfs/dbraw/zinc/97/01/04/578970104.db2.gz IHWSTPAHCGBNHN-WDEREUQCSA-N 0 3 346.395 1.702 20 5 EDBDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736265353 578970105 /nfs/dbraw/zinc/97/01/05/578970105.db2.gz IHWSTPAHCGBNHN-WDEREUQCSA-N 0 3 346.395 1.702 20 5 EDBDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736265353 578970106 /nfs/dbraw/zinc/97/01/06/578970106.db2.gz IHWSTPAHCGBNHN-WDEREUQCSA-N 0 3 346.395 1.702 20 5 EDBDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736265353 578970107 /nfs/dbraw/zinc/97/01/07/578970107.db2.gz IHWSTPAHCGBNHN-WDEREUQCSA-N 0 3 346.395 1.702 20 5 EDBDHN COC(=O)C[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754535530 579905775 /nfs/dbraw/zinc/90/57/75/579905775.db2.gz HJUDGSXHZZVVSH-YGRLFVJLSA-N 0 3 335.360 1.853 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000771793372 580294106 /nfs/dbraw/zinc/29/41/06/580294106.db2.gz BBLFNPGDQFCDIW-GXFFZTMASA-N 0 3 337.376 1.681 20 5 EDBDHN O=C(CCN1CCC2(CNC(=O)O2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000782004398 580563725 /nfs/dbraw/zinc/56/37/25/580563725.db2.gz NPKJELCKLXRHDB-UHFFFAOYSA-N 0 3 348.359 1.498 20 5 EDBDHN CC(=O)OC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000784204136 580615400 /nfs/dbraw/zinc/61/54/00/580615400.db2.gz LMAJKMRYRVCBGL-CYBMUJFWSA-N 0 3 338.360 1.362 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c1C ZINC000897584617 591569204 /nfs/dbraw/zinc/56/92/04/591569204.db2.gz FSTRTZKXOPCPNH-QGZVFWFLSA-N 0 3 335.404 1.740 20 5 EDBDHN CN1CCOC[C@@]1(CO)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000903278716 592150823 /nfs/dbraw/zinc/15/08/23/592150823.db2.gz NIGLFZKQHRKNQQ-ROUUACIJSA-N 0 3 349.431 1.645 20 5 EDBDHN CNCCN(C(C)C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000903590288 592234672 /nfs/dbraw/zinc/23/46/72/592234672.db2.gz SJPLOMWLYXDYPJ-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H](O)Cc2ccc(F)cc2)c1 ZINC000905470244 592544329 /nfs/dbraw/zinc/54/43/29/592544329.db2.gz CCYJSNSECSHPTP-IAGOWNOFSA-N 0 3 334.347 1.961 20 5 EDBDHN Cc1nn(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840134784 593252917 /nfs/dbraw/zinc/25/29/17/593252917.db2.gz PBQLHOFCKGSCAY-BETUJISGSA-N 0 3 347.419 1.597 20 5 EDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)[N+](=O)[O-] ZINC000813100459 593517365 /nfs/dbraw/zinc/51/73/65/593517365.db2.gz SNEFDAKYQNFUQV-DTWKUNHWSA-N 0 3 328.271 1.526 20 5 EDBDHN CCn1c(SCC(=O)OCC(C)[N+](=O)[O-])nnc1-c1ccco1 ZINC000813103819 593517946 /nfs/dbraw/zinc/51/79/46/593517946.db2.gz URKDJZDRKFBZLS-SECBINFHSA-N 0 3 340.361 1.859 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000842682155 593574298 /nfs/dbraw/zinc/57/42/98/593574298.db2.gz NYIARNJXBSVGJL-UHFFFAOYSA-N 0 3 333.797 1.587 20 5 EDBDHN Nc1ccc(NCC(=O)NCCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000814262503 593580864 /nfs/dbraw/zinc/58/08/64/593580864.db2.gz SHDLXRLKVCEDHD-UHFFFAOYSA-N 0 3 335.408 1.581 20 5 EDBDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000815065939 593613061 /nfs/dbraw/zinc/61/30/61/593613061.db2.gz SUYQQUMXUWZTDT-CYBMUJFWSA-N 0 3 345.446 1.763 20 5 EDBDHN CC(=O)Nc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000819272597 593747941 /nfs/dbraw/zinc/74/79/41/593747941.db2.gz ZUUWXWAYHWSBNB-HNNXBMFYSA-N 0 3 330.344 1.771 20 5 EDBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000819304912 593749693 /nfs/dbraw/zinc/74/96/93/593749693.db2.gz KILMPRFFRIRMEV-MFKMUULPSA-N 0 3 328.390 1.184 20 5 EDBDHN CC[NH+](CC)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821182669 593984815 /nfs/dbraw/zinc/98/48/15/593984815.db2.gz XEALTNXYWDUKRG-GFCCVEGCSA-N 0 3 331.380 1.695 20 5 EDBDHN CC[NH+](CC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821182669 593984816 /nfs/dbraw/zinc/98/48/16/593984816.db2.gz XEALTNXYWDUKRG-GFCCVEGCSA-N 0 3 331.380 1.695 20 5 EDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCCN1CCCCC1 ZINC000825451969 594187207 /nfs/dbraw/zinc/18/72/07/594187207.db2.gz CANPMZGZWDLZHF-UHFFFAOYSA-N 0 3 335.360 1.354 20 5 EDBDHN O=C1OCCN1C[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830124794 594340417 /nfs/dbraw/zinc/34/04/17/594340417.db2.gz PPXKHYBESDWVIF-WFASDCNBSA-N 0 3 335.360 1.402 20 5 EDBDHN CN1CCN(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)CC1 ZINC000827450883 594673576 /nfs/dbraw/zinc/67/35/76/594673576.db2.gz ZVITVHJYCOCQNL-UHFFFAOYSA-N 0 3 347.419 1.029 20 5 EDBDHN C[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000836283773 594946815 /nfs/dbraw/zinc/94/68/15/594946815.db2.gz NRIFCMFJWIPZDT-MAZHCROVSA-N 0 3 348.403 1.818 20 5 EDBDHN COCCNCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841857052 594966569 /nfs/dbraw/zinc/96/65/69/594966569.db2.gz WVFQBFPYZFRUMX-UHFFFAOYSA-N 0 3 330.772 1.283 20 5 EDBDHN CC([C@H](OC(=O)c1cc(C(N)=O)cn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845873323 595084987 /nfs/dbraw/zinc/08/49/87/595084987.db2.gz CLDSAOYNAJIOEF-OTYXRUKQSA-N 0 3 349.318 1.826 20 5 EDBDHN CC([C@@H](OC(=O)CN(C)C(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845874713 595085665 /nfs/dbraw/zinc/08/56/65/595085665.db2.gz IKGGWZMAKDVRMN-MEBBXXQBSA-N 0 3 338.335 1.944 20 5 EDBDHN CC([C@H](OC(=O)CS(=O)(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845879356 595086466 /nfs/dbraw/zinc/08/64/66/595086466.db2.gz JJITUAXCIFPCGB-XPTSAGLGSA-N 0 3 345.348 1.652 20 5 EDBDHN CC(C)N1CCCC[C@H]1COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000837482329 595121532 /nfs/dbraw/zinc/12/15/32/595121532.db2.gz XIDCUHFULPDSSP-AWEZNQCLSA-N 0 3 337.376 1.563 20 5 EDBDHN Cc1c(C(=O)N[C@@H](CN)C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000848439497 595379608 /nfs/dbraw/zinc/37/96/08/595379608.db2.gz QSJLSUOXZRSFFZ-VIFPVBQESA-N 0 3 336.226 1.431 20 5 EDBDHN COCc1nnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n-]1 ZINC000850515284 595527179 /nfs/dbraw/zinc/52/71/79/595527179.db2.gz VKWSOQKKUSBZLJ-UHFFFAOYSA-N 0 3 346.391 1.618 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]CC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000850592091 595542525 /nfs/dbraw/zinc/54/25/25/595542525.db2.gz HFTUMQKWVARWIR-UHFFFAOYSA-N 0 3 345.808 1.587 20 5 EDBDHN CC12CC(C1)CN2CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852787301 595542504 /nfs/dbraw/zinc/54/25/04/595542504.db2.gz UWGUMXXLGBDAKE-UHFFFAOYSA-N 0 3 344.415 1.728 20 5 EDBDHN [NH3+][C@@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857770108 595603176 /nfs/dbraw/zinc/60/31/76/595603176.db2.gz UYDAEGNOMYBMBS-VXGBXAGGSA-N 0 3 329.303 1.953 20 5 EDBDHN CON(C)C(=O)[C@@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000858583613 595834644 /nfs/dbraw/zinc/83/46/44/595834644.db2.gz DUUFTZKELRWMJD-GHMZBOCLSA-N 0 3 338.364 1.310 20 5 EDBDHN CN1CC[C@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811229 596562604 /nfs/dbraw/zinc/56/26/04/596562604.db2.gz AXHFAKLVFXQFHW-JQWIXIFHSA-N 0 3 343.380 1.449 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000869780117 596631959 /nfs/dbraw/zinc/63/19/59/596631959.db2.gz OSJICANKECLPGU-AWEZNQCLSA-N 0 3 335.404 1.489 20 5 EDBDHN CC(C)Oc1nc(N2C[C@@H]3CCCN3C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000872758314 597060178 /nfs/dbraw/zinc/06/01/78/597060178.db2.gz XTSWTKGNEPATDH-QWHCGFSZSA-N 0 3 336.392 1.422 20 5 EDBDHN O=[N+]([O-])c1ccc(CCNCCS(=O)(=O)C2CCOCC2)cc1 ZINC000877568130 597537124 /nfs/dbraw/zinc/53/71/24/597537124.db2.gz YUTNQJNTNHJBTC-UHFFFAOYSA-N 0 3 342.417 1.321 20 5 EDBDHN COc1ccc([C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2)cc1 ZINC000879521731 597616299 /nfs/dbraw/zinc/61/62/99/597616299.db2.gz QSXUOFPRRSXOKU-MRXNPFEDSA-N 0 3 331.376 1.446 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nnn[n-]2)c1 ZINC000738369295 598499293 /nfs/dbraw/zinc/49/92/93/598499293.db2.gz KKVNLHPJAYVYHV-RYUDHWBXSA-N 0 3 330.352 1.209 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(-c2nnn[n-]2)c1 ZINC000738369295 598499294 /nfs/dbraw/zinc/49/92/94/598499294.db2.gz KKVNLHPJAYVYHV-RYUDHWBXSA-N 0 3 330.352 1.209 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nn[n-]n2)c1 ZINC000738369295 598499296 /nfs/dbraw/zinc/49/92/96/598499296.db2.gz KKVNLHPJAYVYHV-RYUDHWBXSA-N 0 3 330.352 1.209 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(-c2nn[n-]n2)c1 ZINC000738369295 598499298 /nfs/dbraw/zinc/49/92/98/598499298.db2.gz KKVNLHPJAYVYHV-RYUDHWBXSA-N 0 3 330.352 1.209 20 5 EDBDHN COc1cccc(CN2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001005379834 708842235 /nfs/dbraw/zinc/84/22/35/708842235.db2.gz XPCMQLDVFYANIA-HUUCEWRRSA-N 0 3 348.403 1.178 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)c2cnco2)CC1 ZINC001034702901 710810635 /nfs/dbraw/zinc/81/06/35/710810635.db2.gz XKUYFMWYIFTZJM-XYPYZODXSA-N 0 3 348.363 1.147 20 5 EDBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CC1 ZINC000187466344 530000618 /nfs/dbraw/zinc/00/06/18/530000618.db2.gz HWLZYKJSZFERCI-AWEZNQCLSA-N 0 3 343.387 1.958 20 5 EDBDHN COCc1nc2n(n1)C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000090394466 138278213 /nfs/dbraw/zinc/27/82/13/138278213.db2.gz JXHVLRWUYKEAML-DGCLKSJQSA-N 0 3 331.376 1.998 20 5 EDBDHN O=C(NC1CCN(CCc2ccncc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000130293137 138340581 /nfs/dbraw/zinc/34/05/81/138340581.db2.gz OEPAPUACVAPBDZ-UHFFFAOYSA-N 0 3 344.375 1.150 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000563882093 306351312 /nfs/dbraw/zinc/35/13/12/306351312.db2.gz RBFIUHMGUCPHEB-ZBFHGGJFSA-N 0 3 334.351 1.959 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc3ccccc3n2)c1 ZINC000564321040 306358111 /nfs/dbraw/zinc/35/81/11/306358111.db2.gz BWLVGBVJPSUCIH-OAHLLOKOSA-N 0 3 327.344 1.490 20 5 EDBDHN CN(C(=O)CN1CCNC[C@H]1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000564986480 306372275 /nfs/dbraw/zinc/37/22/75/306372275.db2.gz PMBFMCLVXWAHFG-LBPRGKRZSA-N 0 3 328.319 1.097 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000103449554 204079511 /nfs/dbraw/zinc/07/95/11/204079511.db2.gz TXLXTOMINOOZOY-UHFFFAOYSA-N 0 3 348.403 1.221 20 5 EDBDHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000103633690 204084639 /nfs/dbraw/zinc/08/46/39/204084639.db2.gz UWLBHAUYLMLJHR-UHFFFAOYSA-N 0 3 334.376 1.334 20 5 EDBDHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000104748011 204118820 /nfs/dbraw/zinc/11/88/20/204118820.db2.gz IUDFTFPCKRWHFG-SNVBAGLBSA-N 0 3 347.824 1.820 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000105168773 204136257 /nfs/dbraw/zinc/13/62/57/204136257.db2.gz HQAMRYQFVUEDII-NSHDSACASA-N 0 3 336.392 1.885 20 5 EDBDHN C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000111599700 204363123 /nfs/dbraw/zinc/36/31/23/204363123.db2.gz MMFZASWZROSHHB-JTQLQIEISA-N 0 3 344.371 1.649 20 5 EDBDHN CN(C)C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000130052864 205221958 /nfs/dbraw/zinc/22/19/58/205221958.db2.gz DGMXBHWOVCUECS-CYBMUJFWSA-N 0 3 341.433 1.252 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000156635399 206091167 /nfs/dbraw/zinc/09/11/67/206091167.db2.gz XIXCUWCZWPUFLW-YPMHNXCESA-N 0 3 329.360 1.568 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000156635399 206091173 /nfs/dbraw/zinc/09/11/73/206091173.db2.gz XIXCUWCZWPUFLW-YPMHNXCESA-N 0 3 329.360 1.568 20 5 EDBDHN Cn1cc(CN2CC[C@@H](C(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157080675 206115229 /nfs/dbraw/zinc/11/52/29/206115229.db2.gz UWMRTQIIBORWIU-GFCCVEGCSA-N 0 3 329.360 1.303 20 5 EDBDHN CC[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262127778 139253252 /nfs/dbraw/zinc/25/32/52/139253252.db2.gz NSPKIMFRHDHUPR-HIFRSBDPSA-N 0 3 336.392 1.262 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C[NH3+])C(C)(C)C)cc1C ZINC000262291973 139267321 /nfs/dbraw/zinc/26/73/21/139267321.db2.gz NHNPSRQBDUGLQA-CYBMUJFWSA-N 0 3 329.422 1.863 20 5 EDBDHN C[C@H]1NCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H]1C ZINC000262718418 139298676 /nfs/dbraw/zinc/29/86/76/139298676.db2.gz FAZBEHVBBHXQGU-NEPJUHHUSA-N 0 3 329.360 1.603 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491508308 255127340 /nfs/dbraw/zinc/12/73/40/255127340.db2.gz WYWQUWZVHSVHAC-WAVCKPEOSA-N 0 3 333.388 1.835 20 5 EDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1CCO ZINC000493456336 255209666 /nfs/dbraw/zinc/20/96/66/255209666.db2.gz QSPHELVRWDNQPG-FSNWXROXSA-N 0 3 333.388 1.571 20 5 EDBDHN COC(=O)[C@@H]1CC12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000270606636 140133069 /nfs/dbraw/zinc/13/30/69/140133069.db2.gz XYXWKUGSLBBZDS-ZDUSSCGKSA-N 0 3 335.360 1.032 20 5 EDBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)CC(=O)N2C ZINC000271861231 140362483 /nfs/dbraw/zinc/36/24/83/140362483.db2.gz UHMUJWLYIOCPSZ-LLVKDONJSA-N 0 3 329.360 1.661 20 5 EDBDHN CN1CC=C(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000272029729 140389870 /nfs/dbraw/zinc/38/98/70/140389870.db2.gz WILCYKRAWKKRLT-UHFFFAOYSA-N 0 3 341.371 1.772 20 5 EDBDHN CN(C)C1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000416304377 304308035 /nfs/dbraw/zinc/30/80/35/304308035.db2.gz USYBTBZXFIFMRK-UHFFFAOYSA-N 0 3 329.360 1.605 20 5 EDBDHN CN(C)S(=O)(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000345337548 143079868 /nfs/dbraw/zinc/07/98/68/143079868.db2.gz YJCIXZUDUGKLOV-UHFFFAOYSA-N 0 3 342.421 1.353 20 5 EDBDHN CNc1c(C(=O)N2CC[C@@H](N(C)CCO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000347228957 143297566 /nfs/dbraw/zinc/29/75/66/143297566.db2.gz ZRYHCNNGLRHVKG-WCQYABFASA-N 0 3 336.392 1.164 20 5 EDBDHN C[C@H](NC(=O)c1ccn(CCN(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000573136415 306612976 /nfs/dbraw/zinc/61/29/76/306612976.db2.gz YFLBOGTVQKIQQF-LBPRGKRZSA-N 0 3 331.376 1.844 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](C)[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000353132583 149298300 /nfs/dbraw/zinc/29/83/00/149298300.db2.gz WDFPZYGWDUUHRK-WDEREUQCSA-N 0 3 326.349 1.660 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3C)[C@@H]2C1 ZINC000355308725 150209341 /nfs/dbraw/zinc/20/93/41/150209341.db2.gz BRCLMXGJPQICTK-CVEARBPZSA-N 0 3 333.388 1.838 20 5 EDBDHN COc1ccc(CNC(=O)N2CCN(C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355417348 150259672 /nfs/dbraw/zinc/25/96/72/150259672.db2.gz JILDHIYEBJAOSD-LBPRGKRZSA-N 0 3 336.392 1.839 20 5 EDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000370079633 155314636 /nfs/dbraw/zinc/31/46/36/155314636.db2.gz FPENMLCAZSYTFV-XJKCOSOUSA-N 0 3 332.404 1.948 20 5 EDBDHN CCCN1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000360962645 152265556 /nfs/dbraw/zinc/26/55/56/152265556.db2.gz PKDRMBQYIYPSHF-UHFFFAOYSA-N 0 3 349.387 1.730 20 5 EDBDHN COCCCN1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363633099 153017659 /nfs/dbraw/zinc/01/76/59/153017659.db2.gz AQPSKBMUASTJNI-UHFFFAOYSA-N 0 3 339.367 1.918 20 5 EDBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000364577799 153277103 /nfs/dbraw/zinc/27/71/03/153277103.db2.gz VWHKASASAUBCMI-BBRMVZONSA-N 0 3 341.371 1.808 20 5 EDBDHN C[C@H](CO)N1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364938838 153377207 /nfs/dbraw/zinc/37/72/07/153377207.db2.gz WLOMZVNBCWZSEL-HSBSLETESA-N 0 3 333.388 1.523 20 5 EDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000368648647 154655120 /nfs/dbraw/zinc/65/51/20/154655120.db2.gz WHHZIQUHSNCEIR-RYUDHWBXSA-N 0 3 333.323 1.210 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC(CCN3CCOCC3)CC2)c1 ZINC000377933619 158032426 /nfs/dbraw/zinc/03/24/26/158032426.db2.gz WGVOYRGZKPOQKN-UHFFFAOYSA-N 0 3 337.424 1.226 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000378450308 158178129 /nfs/dbraw/zinc/17/81/29/158178129.db2.gz OWFHKSAMLDCPLI-WFASDCNBSA-N 0 3 346.387 1.394 20 5 EDBDHN COCCCN1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000378544861 158205422 /nfs/dbraw/zinc/20/54/22/158205422.db2.gz TZOYXBMKPBVBLP-UHFFFAOYSA-N 0 3 336.392 1.361 20 5 EDBDHN COc1ccc(NC(=O)CN2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000170713265 226708299 /nfs/dbraw/zinc/70/82/99/226708299.db2.gz GHFDHARQGPMZKZ-CYBMUJFWSA-N 0 3 348.403 1.712 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273525147 268058115 /nfs/dbraw/zinc/05/81/15/268058115.db2.gz XMVIMMAWRLZQDD-JOYOIKCWSA-N 0 3 340.405 1.137 20 5 EDBDHN COC(=O)c1cnc(N2C[C@@H](SC)[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000276729347 268467355 /nfs/dbraw/zinc/46/73/55/268467355.db2.gz LDTLMXMYZHYAQO-VXGBXAGGSA-N 0 3 340.405 1.258 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000273535446 273042269 /nfs/dbraw/zinc/04/22/69/273042269.db2.gz DBZGIQGSYSKWDW-RISCZKNCSA-N 0 3 327.406 1.307 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000273535434 273042277 /nfs/dbraw/zinc/04/22/77/273042277.db2.gz DBZGIQGSYSKWDW-BXUZGUMPSA-N 0 3 327.406 1.307 20 5 EDBDHN COC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279113176 273280799 /nfs/dbraw/zinc/28/07/99/273280799.db2.gz SUPVDHLGIYUTPI-DZGCQCFKSA-N 0 3 337.376 1.707 20 5 EDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1N(C)C ZINC000282599450 273685677 /nfs/dbraw/zinc/68/56/77/273685677.db2.gz ABJCTJJCNMAHJE-STQMWFEESA-N 0 3 342.396 1.434 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCN([C@H](C)CO)CC2)c1 ZINC000345029360 274003939 /nfs/dbraw/zinc/00/39/39/274003939.db2.gz JYZSMCIOMMBASS-GFCCVEGCSA-N 0 3 337.376 1.274 20 5 EDBDHN COC(=O)c1cn(CCNC/C=C/c2ccccc2[N+](=O)[O-])nn1 ZINC000284135059 274091993 /nfs/dbraw/zinc/09/19/93/274091993.db2.gz URUMUULYGKEUPC-GQCTYLIASA-N 0 3 331.332 1.276 20 5 EDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(C)C1=O ZINC000341307430 274206564 /nfs/dbraw/zinc/20/65/64/274206564.db2.gz KWOAWWZPRXHWLW-FZMZJTMJSA-N 0 3 334.376 1.522 20 5 EDBDHN COC(=O)CC[C@@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000288874190 288585147 /nfs/dbraw/zinc/58/51/47/288585147.db2.gz YUAUCNIGOJJDCB-CQSZACIVSA-N 0 3 337.376 1.314 20 5 EDBDHN O=c1c([N+](=O)[O-])c(N2CC[C@H](N3CC=CC3)C2)nc2ccccn12 ZINC000301467242 303679764 /nfs/dbraw/zinc/67/97/64/303679764.db2.gz QJYMSGGBOCFKOP-LBPRGKRZSA-N 0 3 327.344 1.053 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCN1C ZINC000445252984 305258402 /nfs/dbraw/zinc/25/84/02/305258402.db2.gz SOLWLKTXEQFIEW-JQWIXIFHSA-N 0 3 346.391 1.753 20 5 EDBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448886787 305302792 /nfs/dbraw/zinc/30/27/92/305302792.db2.gz ZIEAUUFSTONZBQ-CQSZACIVSA-N 0 3 343.387 1.947 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000046036558 441072594 /nfs/dbraw/zinc/07/25/94/441072594.db2.gz GJVPDLMHJIODIA-CHWSQXEVSA-N 0 3 339.417 1.808 20 5 EDBDHN NC(=O)c1ccc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000007365436 441049008 /nfs/dbraw/zinc/04/90/08/441049008.db2.gz QIMBDEWTHRPSTK-UHFFFAOYSA-N 0 3 327.344 1.415 20 5 EDBDHN C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C1CC1 ZINC000057705955 441127880 /nfs/dbraw/zinc/12/78/80/441127880.db2.gz LBMXZFJZINAIRX-LBPRGKRZSA-N 0 3 343.387 1.993 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(C)CC1 ZINC000063466890 441330965 /nfs/dbraw/zinc/33/09/65/441330965.db2.gz KSNCEMZYUNOQST-UHFFFAOYSA-N 0 3 334.420 1.661 20 5 EDBDHN CN(C)CCn1nnnc1SCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083091897 441350466 /nfs/dbraw/zinc/35/04/66/441350466.db2.gz TXMSQMUYBDANAR-UHFFFAOYSA-N 0 3 349.376 1.576 20 5 EDBDHN CC(C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000052209288 441440361 /nfs/dbraw/zinc/44/03/61/441440361.db2.gz JHLKCOHLLLYSHH-QMMMGPOBSA-N 0 3 334.781 1.640 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000108329724 441445570 /nfs/dbraw/zinc/44/55/70/441445570.db2.gz ZBYANYDIBIEJCE-LBPRGKRZSA-N 0 3 344.375 1.247 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108406605 441452870 /nfs/dbraw/zinc/45/28/70/441452870.db2.gz IDFPLMCIGDOMIG-LBPRGKRZSA-N 0 3 327.406 1.523 20 5 EDBDHN CC(C)[NH2+]CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036299713 441606025 /nfs/dbraw/zinc/60/60/25/441606025.db2.gz YJKDVWIZOCXOGO-UHFFFAOYSA-N 0 3 335.813 1.915 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C1CCSCC1 ZINC000116922521 441860357 /nfs/dbraw/zinc/86/03/57/441860357.db2.gz SYIQAGHDWQZVAY-UHFFFAOYSA-N 0 3 345.446 1.358 20 5 EDBDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000124169304 441909982 /nfs/dbraw/zinc/90/99/82/441909982.db2.gz MYCSTFIDYOYBIR-AWEZNQCLSA-N 0 3 343.387 1.912 20 5 EDBDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000124169304 441909987 /nfs/dbraw/zinc/90/99/87/441909987.db2.gz MYCSTFIDYOYBIR-AWEZNQCLSA-N 0 3 343.387 1.912 20 5 EDBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000078359993 441924263 /nfs/dbraw/zinc/92/42/63/441924263.db2.gz BKZVVMOJLFFCQK-GFCCVEGCSA-N 0 3 349.387 1.970 20 5 EDBDHN CN1CCC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000162435721 442094252 /nfs/dbraw/zinc/09/42/52/442094252.db2.gz FMVCDELWYSULBZ-CYBMUJFWSA-N 0 3 341.433 1.399 20 5 EDBDHN CN(C)CCOc1cccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000126863158 442149368 /nfs/dbraw/zinc/14/93/68/442149368.db2.gz KDWPMKFEJYDDKU-UHFFFAOYSA-N 0 3 347.375 1.048 20 5 EDBDHN NC(=O)c1ccc(N2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000079928807 442098517 /nfs/dbraw/zinc/09/85/17/442098517.db2.gz LVPMXWXEAJNJDS-UHFFFAOYSA-N 0 3 348.403 1.242 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)n1 ZINC000152221903 442184167 /nfs/dbraw/zinc/18/41/67/442184167.db2.gz HWVHNYPIYNVBHS-LBPRGKRZSA-N 0 3 331.380 1.666 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)n1 ZINC000152221903 442184175 /nfs/dbraw/zinc/18/41/75/442184175.db2.gz HWVHNYPIYNVBHS-LBPRGKRZSA-N 0 3 331.380 1.666 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000152221903 442184180 /nfs/dbraw/zinc/18/41/80/442184180.db2.gz HWVHNYPIYNVBHS-LBPRGKRZSA-N 0 3 331.380 1.666 20 5 EDBDHN C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(C)C1CC1 ZINC000132332118 442391462 /nfs/dbraw/zinc/39/14/62/442391462.db2.gz VKRRQHMQRVPOLT-GFCCVEGCSA-N 0 3 343.387 1.993 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN2CCC[C@@H]2C1 ZINC000178640872 442451327 /nfs/dbraw/zinc/45/13/27/442451327.db2.gz NBKSSQBREMDCLR-TZMCWYRMSA-N 0 3 348.403 1.710 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)n1 ZINC000191608297 442475223 /nfs/dbraw/zinc/47/52/23/442475223.db2.gz HSESFZZGQIREBU-ZDUSSCGKSA-N 0 3 343.387 1.944 20 5 EDBDHN C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000173272516 442639053 /nfs/dbraw/zinc/63/90/53/442639053.db2.gz KLBYEHJKEMFTNV-SWLSCSKDSA-N 0 3 341.433 1.839 20 5 EDBDHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000180936863 442670560 /nfs/dbraw/zinc/67/05/60/442670560.db2.gz UYWODTRWLCDNOG-UHFFFAOYSA-N 0 3 328.756 1.207 20 5 EDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(-n2ccnn2)cc1 ZINC000182007470 442727703 /nfs/dbraw/zinc/72/77/03/442727703.db2.gz ZWASYKUDLHJFDB-GFCCVEGCSA-N 0 3 327.348 1.723 20 5 EDBDHN CN1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000182668590 442803162 /nfs/dbraw/zinc/80/31/62/442803162.db2.gz YLJQQRLUQKSBEK-UHFFFAOYSA-N 0 3 340.767 1.397 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265458266 442780691 /nfs/dbraw/zinc/78/06/91/442780691.db2.gz AXVQLAJJSSIVSJ-UHFFFAOYSA-N 0 3 347.371 1.918 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)c1C ZINC000268272234 442926134 /nfs/dbraw/zinc/92/61/34/442926134.db2.gz SZRGEXCFRZWHLX-BXUZGUMPSA-N 0 3 341.433 1.782 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC[C@@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000194739568 442945721 /nfs/dbraw/zinc/94/57/21/442945721.db2.gz IVXTUSJIKLYRTC-ZDUSSCGKSA-N 0 3 335.360 1.596 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000194744155 442946720 /nfs/dbraw/zinc/94/67/20/442946720.db2.gz REDJIPPHOLGOIG-ZDUSSCGKSA-N 0 3 329.360 1.605 20 5 EDBDHN COCCO[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000189727863 442998504 /nfs/dbraw/zinc/99/85/04/442998504.db2.gz FQHJKOPGWNAUBU-CYBMUJFWSA-N 0 3 337.376 1.661 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CC[NH2+]CC2)cc1C ZINC000194987197 442974019 /nfs/dbraw/zinc/97/40/19/442974019.db2.gz IDUNJVAONUGNMN-UHFFFAOYSA-N 0 3 327.406 1.490 20 5 EDBDHN CC[C@H](CNS(C)(=O)=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000296512566 318703072 /nfs/dbraw/zinc/70/30/72/318703072.db2.gz PNWLQCRYFATCFC-TZMCWYRMSA-N 0 3 329.422 1.963 20 5 EDBDHN COCCCN(C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000266346140 443102949 /nfs/dbraw/zinc/10/29/49/443102949.db2.gz NYYLMFMISOPMDR-UHFFFAOYSA-N 0 3 340.380 1.693 20 5 EDBDHN Cc1cc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)ncc1[N+](=O)[O-] ZINC000268807483 443115151 /nfs/dbraw/zinc/11/51/51/443115151.db2.gz GFRLBMGRMKFKCX-CYBMUJFWSA-N 0 3 333.392 1.041 20 5 EDBDHN COc1ccc(CNC(=O)N2CCN3CCC2CC3)cc1[N+](=O)[O-] ZINC000341223658 318986702 /nfs/dbraw/zinc/98/67/02/318986702.db2.gz TULOQWUDHSZVPO-UHFFFAOYSA-N 0 3 334.376 1.593 20 5 EDBDHN Cn1cccc1[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266950300 443300407 /nfs/dbraw/zinc/30/04/07/443300407.db2.gz UCHGYYGVJQTFBR-HOCLYGCPSA-N 0 3 333.392 1.718 20 5 EDBDHN NC(=O)c1ccc(CN2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264542150 443320173 /nfs/dbraw/zinc/32/01/73/443320173.db2.gz AXEHPUOUJUMBMB-HNNXBMFYSA-N 0 3 332.404 1.754 20 5 EDBDHN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000272488610 443336289 /nfs/dbraw/zinc/33/62/89/443336289.db2.gz HLVHGMXXWPWTGV-SNVBAGLBSA-N 0 3 333.373 1.520 20 5 EDBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000264635272 443356593 /nfs/dbraw/zinc/35/65/93/443356593.db2.gz SKMCWFJHQWTTSB-CQSZACIVSA-N 0 3 327.406 1.451 20 5 EDBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCNC1=O ZINC000282524156 443363440 /nfs/dbraw/zinc/36/34/40/443363440.db2.gz YLLQIXSWPLBYDS-CQSZACIVSA-N 0 3 334.376 1.442 20 5 EDBDHN C[C@@H]1CN(CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278679658 443400513 /nfs/dbraw/zinc/40/05/13/443400513.db2.gz UIPKZTHYTJUREI-CQSZACIVSA-N 0 3 335.404 1.754 20 5 EDBDHN Cc1cc(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)n[nH]1 ZINC000272882064 443478049 /nfs/dbraw/zinc/47/80/49/443478049.db2.gz CMHVDXLRVDRLGF-UHFFFAOYSA-N 0 3 331.376 1.668 20 5 EDBDHN Cc1cc(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)[nH]n1 ZINC000272882064 443478055 /nfs/dbraw/zinc/47/80/55/443478055.db2.gz CMHVDXLRVDRLGF-UHFFFAOYSA-N 0 3 331.376 1.668 20 5 EDBDHN O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000272794734 443447998 /nfs/dbraw/zinc/44/79/98/443447998.db2.gz KCFBTVIDXMLYCK-CQSZACIVSA-N 0 3 344.371 1.420 20 5 EDBDHN O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000272794734 443448002 /nfs/dbraw/zinc/44/80/02/443448002.db2.gz KCFBTVIDXMLYCK-CQSZACIVSA-N 0 3 344.371 1.420 20 5 EDBDHN COC[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279115717 443516072 /nfs/dbraw/zinc/51/60/72/443516072.db2.gz TXMIQZMGDMUCDR-UKRRQHHQSA-N 0 3 340.376 1.766 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@H]2CCO)cc1 ZINC000279369883 443566336 /nfs/dbraw/zinc/56/63/36/443566336.db2.gz WZLCULUGCUOIAQ-WFASDCNBSA-N 0 3 342.417 1.509 20 5 EDBDHN CN1CCN(CCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286115186 443649502 /nfs/dbraw/zinc/64/95/02/443649502.db2.gz LYDCBMLJIRXWHF-UHFFFAOYSA-N 0 3 336.421 1.649 20 5 EDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000440105756 320063211 /nfs/dbraw/zinc/06/32/11/320063211.db2.gz ZAUBXBATDHUBHW-LBPRGKRZSA-N 0 3 329.422 1.912 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000440335633 320071725 /nfs/dbraw/zinc/07/17/25/320071725.db2.gz GHVSAOAGIWRYLO-VXGBXAGGSA-N 0 3 327.406 1.570 20 5 EDBDHN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447251414 320140340 /nfs/dbraw/zinc/14/03/40/320140340.db2.gz UMDUFSHOFIEHES-SSDOTTSWSA-N 0 3 341.311 1.487 20 5 EDBDHN COCCOCCOCCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000276224353 443670643 /nfs/dbraw/zinc/67/06/43/443670643.db2.gz JIIGGASOIOPEDQ-UHFFFAOYSA-N 0 3 342.392 1.585 20 5 EDBDHN CN1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000298676435 443836225 /nfs/dbraw/zinc/83/62/25/443836225.db2.gz RHTLUZMVXKWFGW-UHFFFAOYSA-N 0 3 326.784 1.824 20 5 EDBDHN CNC(=O)c1ccc(N2CC[C@@]3(C2)CCCN(C)C3)c([N+](=O)[O-])c1 ZINC000292905873 443875257 /nfs/dbraw/zinc/87/52/57/443875257.db2.gz XBKKMGZIRLYZBU-KRWDZBQOSA-N 0 3 332.404 1.877 20 5 EDBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000541816107 320777591 /nfs/dbraw/zinc/77/75/91/320777591.db2.gz DOVZGAYIPMLFJT-LLVKDONJSA-N 0 3 342.421 1.341 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2C[C@H](C)[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000299204258 443981224 /nfs/dbraw/zinc/98/12/24/443981224.db2.gz GRTJZRDAWVFKJU-SMDDNHRTSA-N 0 3 334.376 1.250 20 5 EDBDHN CN(CCCN1C(=O)NC(C)(C)C1=O)CCc1ccccc1[N+](=O)[O-] ZINC000285444132 443986734 /nfs/dbraw/zinc/98/67/34/443986734.db2.gz XWAYMYWMEFFCJS-UHFFFAOYSA-N 0 3 348.403 1.790 20 5 EDBDHN CN(C)c1ccccc1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000289108542 444055513 /nfs/dbraw/zinc/05/55/13/444055513.db2.gz VXHLFGJIKQMUQY-OAHLLOKOSA-N 0 3 333.392 1.350 20 5 EDBDHN CN1CC[C@H]2OCCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000285727861 444087548 /nfs/dbraw/zinc/08/75/48/444087548.db2.gz KETHNWZGTRHEFW-JKSUJKDBSA-N 0 3 344.371 1.621 20 5 EDBDHN Cc1c(NC(=O)CCN(C)CCOCCO)cccc1[N+](=O)[O-] ZINC000282247012 444125911 /nfs/dbraw/zinc/12/59/11/444125911.db2.gz BVGHCHGVNXIGSM-UHFFFAOYSA-N 0 3 325.365 1.173 20 5 EDBDHN CN(C[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000290085690 444240156 /nfs/dbraw/zinc/24/01/56/444240156.db2.gz VKIVPRRYZJHCCE-MRXNPFEDSA-N 0 3 349.431 1.893 20 5 EDBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)COc2ccccc2Cl)c1 ZINC000577503284 321658625 /nfs/dbraw/zinc/65/86/25/321658625.db2.gz PNKHJZNGBSASER-GFCCVEGCSA-N 0 3 340.767 1.474 20 5 EDBDHN NC(=O)c1ccnc(N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000290736540 444316943 /nfs/dbraw/zinc/31/69/43/444316943.db2.gz GPTSMFNYISJIEL-UHFFFAOYSA-N 0 3 333.392 1.543 20 5 EDBDHN CCN(CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000297708703 444322127 /nfs/dbraw/zinc/32/21/27/444322127.db2.gz ATPATNXPTCGGDP-UHFFFAOYSA-N 0 3 334.376 1.442 20 5 EDBDHN CC[C@@H](C)Oc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000577723085 321676577 /nfs/dbraw/zinc/67/65/77/321676577.db2.gz FAZNREFSOATILK-DOMZBBRYSA-N 0 3 349.391 1.514 20 5 EDBDHN COC(=O)c1cc(C)nc(NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000339969655 444345769 /nfs/dbraw/zinc/34/57/69/444345769.db2.gz SSQJJMRRBAZCON-UHFFFAOYSA-N 0 3 336.392 2.373 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000331132654 444409811 /nfs/dbraw/zinc/40/98/11/444409811.db2.gz PFYMWOYBGHCXCK-LLVKDONJSA-N 0 3 343.330 1.205 20 5 EDBDHN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN(Cc2ccccc2)C1 ZINC000580340446 322039994 /nfs/dbraw/zinc/03/99/94/322039994.db2.gz WBNMDZPJWFILLT-MRXNPFEDSA-N 0 3 329.360 1.712 20 5 EDBDHN CC[C@@H](C[C@@H](C)CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581429592 322177032 /nfs/dbraw/zinc/17/70/32/322177032.db2.gz RZSDVAZGEZGHGO-OLZOCXBDSA-N 0 3 344.433 1.755 20 5 EDBDHN COC(=O)CN(C)C(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343934913 444679520 /nfs/dbraw/zinc/67/95/20/444679520.db2.gz SMKNFINHCHCYRY-UHFFFAOYSA-N 0 3 349.387 1.581 20 5 EDBDHN CCC[C@]1(CO)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000344152668 444809872 /nfs/dbraw/zinc/80/98/72/444809872.db2.gz HWBWMTQIQXHAJN-PBHICJAKSA-N 0 3 338.404 1.819 20 5 EDBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000342631624 444788016 /nfs/dbraw/zinc/78/80/16/444788016.db2.gz WADSDISVUNWYDH-AWEZNQCLSA-N 0 3 346.387 1.975 20 5 EDBDHN O=C(NCC1CCN(CCO)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342932546 444950073 /nfs/dbraw/zinc/95/00/73/444950073.db2.gz FWBNITGBFAXPSB-UHFFFAOYSA-N 0 3 346.387 1.510 20 5 EDBDHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000337294643 445019908 /nfs/dbraw/zinc/01/99/08/445019908.db2.gz NLYYDEJVGMRGPB-SMDDNHRTSA-N 0 3 345.396 1.541 20 5 EDBDHN CNS(=O)(=O)c1ccc(N[C@H]2CCCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343484013 445231629 /nfs/dbraw/zinc/23/16/29/445231629.db2.gz VOIDTEXXEDGNOU-JQWIXIFHSA-N 0 3 342.421 1.398 20 5 EDBDHN CCN1CCN(CCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347402511 445237663 /nfs/dbraw/zinc/23/76/63/445237663.db2.gz HASHWRAUGYZMQQ-UHFFFAOYSA-N 0 3 330.392 1.587 20 5 EDBDHN CS[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000343591542 445254386 /nfs/dbraw/zinc/25/43/86/445254386.db2.gz ZFXGTIQKUNVUAZ-HUUCEWRRSA-N 0 3 325.434 1.951 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348173827 445304154 /nfs/dbraw/zinc/30/41/54/445304154.db2.gz WRJNGAOFRAFNJZ-NEPJUHHUSA-N 0 3 334.376 1.346 20 5 EDBDHN COC(=O)COc1ccc(CN(C)[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000348548846 445323099 /nfs/dbraw/zinc/32/30/99/445323099.db2.gz HBIOKXNBBONQEL-GXTWGEPZSA-N 0 3 338.360 1.492 20 5 EDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CCN(C)C)c1 ZINC000352126153 445509442 /nfs/dbraw/zinc/50/94/42/445509442.db2.gz PXERXTNFGHNWSV-HNNXBMFYSA-N 0 3 341.433 1.749 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360293807 445681900 /nfs/dbraw/zinc/68/19/00/445681900.db2.gz VAFBZNUKDFJVEY-CQSZACIVSA-N 0 3 348.403 1.120 20 5 EDBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@H](c1ccccc1)N(C)C ZINC000356258792 445704087 /nfs/dbraw/zinc/70/40/87/445704087.db2.gz SMDXMBMGSSZNNE-XHDPSFHLSA-N 0 3 331.376 1.750 20 5 EDBDHN COC(=O)c1cc(C(=O)NCCNc2ccncc2)cc([N+](=O)[O-])c1 ZINC000359000284 445882295 /nfs/dbraw/zinc/88/22/95/445882295.db2.gz KLLPZSWZTYLMGH-UHFFFAOYSA-N 0 3 344.327 1.040 20 5 EDBDHN C[C@H]1CCN(C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354019024 445857972 /nfs/dbraw/zinc/85/79/72/445857972.db2.gz ISOBXAKYRXSKCO-ZDUSSCGKSA-N 0 3 348.403 1.267 20 5 EDBDHN C[C@]1(c2ccc(F)cc2)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361637604 445859988 /nfs/dbraw/zinc/85/99/88/445859988.db2.gz AEYOGQSGVQHPCL-SJORKVTESA-N 0 3 348.378 1.955 20 5 EDBDHN Cc1ccncc1C1=CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000372923176 445923834 /nfs/dbraw/zinc/92/38/34/445923834.db2.gz CSESACHRVOGPNO-INIZCTEOSA-N 0 3 343.387 1.645 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCCN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000369247471 446019581 /nfs/dbraw/zinc/01/95/81/446019581.db2.gz BRFHGPCGHXYJMJ-MSOLQXFVSA-N 0 3 349.431 1.895 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000369263275 446029187 /nfs/dbraw/zinc/02/91/87/446029187.db2.gz DMRHIANYIUHMDT-IAGOWNOFSA-N 0 3 335.404 1.505 20 5 EDBDHN CN(CCCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccncc1 ZINC000583106500 326001917 /nfs/dbraw/zinc/00/19/17/326001917.db2.gz OVISPTMMQNVPMJ-UHFFFAOYSA-N 0 3 346.391 1.167 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000366191795 446073887 /nfs/dbraw/zinc/07/38/87/446073887.db2.gz GRCDBNIHRDHHKS-AWEZNQCLSA-N 0 3 349.387 1.587 20 5 EDBDHN CSC1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCN(C)CC1 ZINC000359271566 446107907 /nfs/dbraw/zinc/10/79/07/446107907.db2.gz MKPXROTUMVCLSD-UHFFFAOYSA-N 0 3 341.437 1.125 20 5 EDBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000351520463 446123520 /nfs/dbraw/zinc/12/35/20/446123520.db2.gz FGGRHAIYDGQSPY-ZIAGYGMSSA-N 0 3 327.406 1.545 20 5 EDBDHN CN1CC[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000362022426 446159402 /nfs/dbraw/zinc/15/94/02/446159402.db2.gz MJTIUDXVOVQWLB-DZGCQCFKSA-N 0 3 339.417 1.451 20 5 EDBDHN CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CN(Cc2ccccc2)C1 ZINC000373589560 446274094 /nfs/dbraw/zinc/27/40/94/446274094.db2.gz WCKQEISYEKIQMJ-UHFFFAOYSA-N 0 3 329.360 1.570 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000366865895 446388591 /nfs/dbraw/zinc/38/85/91/446388591.db2.gz FCHVDPBIGVLYPE-XHSDSOJGSA-N 0 3 336.388 1.965 20 5 EDBDHN CN1CCN(CC2(C)CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000374928668 446465085 /nfs/dbraw/zinc/46/50/85/446465085.db2.gz OOGCIGHITBKGFW-UHFFFAOYSA-N 0 3 333.436 1.844 20 5 EDBDHN CC(C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)S(C)(=O)=O ZINC000452860033 446486562 /nfs/dbraw/zinc/48/65/62/446486562.db2.gz SLZVYLWTYNZCOG-AAEUAGOBSA-N 0 3 340.401 1.734 20 5 EDBDHN NC(=O)C1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000411393186 446516908 /nfs/dbraw/zinc/51/69/08/446516908.db2.gz QZNPEMIVUROONV-UHFFFAOYSA-N 0 3 334.376 1.701 20 5 EDBDHN CC(C)COC[C@H](O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402607 446776878 /nfs/dbraw/zinc/77/68/78/446776878.db2.gz KCCPZHHSANXVIW-DZGCQCFKSA-N 0 3 326.397 1.462 20 5 EDBDHN O=C1[C@H](N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000412031500 446792836 /nfs/dbraw/zinc/79/28/36/446792836.db2.gz ATOSAHQUFSEMCL-WRFANHODSA-N 0 3 345.399 1.793 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]21 ZINC000368590594 446964302 /nfs/dbraw/zinc/96/43/02/446964302.db2.gz KYQGJWRSRSUKKQ-BXUZGUMPSA-N 0 3 347.371 1.532 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)CC[C@H]1C ZINC000421022858 446994431 /nfs/dbraw/zinc/99/44/31/446994431.db2.gz PEUXLQXMHWRKOJ-YPMHNXCESA-N 0 3 337.376 1.777 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421294122 447107874 /nfs/dbraw/zinc/10/78/74/447107874.db2.gz FSNMRDBXWUCFRJ-ZDUSSCGKSA-N 0 3 334.376 1.394 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(Cc2cccs2)CC1 ZINC000368807431 447122260 /nfs/dbraw/zinc/12/22/60/447122260.db2.gz XCASSSOPKPNIAX-UHFFFAOYSA-N 0 3 349.416 1.634 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000425278719 447092796 /nfs/dbraw/zinc/09/27/96/447092796.db2.gz FCWZNHYRCVNNAG-WCQYABFASA-N 0 3 334.376 1.615 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2nnnn2CC1 ZINC000421403760 447152266 /nfs/dbraw/zinc/15/22/66/447152266.db2.gz XQHKODCPXVOEQA-GFCCVEGCSA-N 0 3 332.364 1.475 20 5 EDBDHN Nc1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000375969195 447181404 /nfs/dbraw/zinc/18/14/04/447181404.db2.gz NLJWSIFNUOSFCM-OAHLLOKOSA-N 0 3 326.356 1.794 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000375998720 447200776 /nfs/dbraw/zinc/20/07/76/447200776.db2.gz YTCXVYWWZFZHED-MRXNPFEDSA-N 0 3 326.356 1.915 20 5 EDBDHN O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CCCCN1CCO ZINC000450608444 447536634 /nfs/dbraw/zinc/53/66/34/447536634.db2.gz CZUAPSPFSHSOKM-CQSZACIVSA-N 0 3 330.388 2.402 20 5 EDBDHN CNC(=O)c1ccc(NC[C@@H]2CCCCN2CCO)c([N+](=O)[O-])c1 ZINC000450613252 447538101 /nfs/dbraw/zinc/53/81/01/447538101.db2.gz LGYGROKHELMNSR-ZDUSSCGKSA-N 0 3 336.392 1.213 20 5 EDBDHN CS(=O)(=O)c1ccc(N2C[C@H]3CCC[C@@H](C2)N3)c([N+](=O)[O-])c1 ZINC000420231835 447680854 /nfs/dbraw/zinc/68/08/54/447680854.db2.gz BJGIRPSQWGQPRR-PHIMTYICSA-N 0 3 325.390 1.329 20 5 EDBDHN COCCN1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486968684 447826959 /nfs/dbraw/zinc/82/69/59/447826959.db2.gz JRGDFHOLALKQKH-UHFFFAOYSA-N 0 3 347.375 2.168 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000525291481 447988010 /nfs/dbraw/zinc/98/80/10/447988010.db2.gz IHOFHEIMXLAYFW-ZDUSSCGKSA-N 0 3 343.387 1.852 20 5 EDBDHN CNc1nccc(C(=O)NC[C@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000553391819 447989383 /nfs/dbraw/zinc/98/93/83/447989383.db2.gz JOMHNOFCBVPUNI-LBPRGKRZSA-N 0 3 335.408 1.882 20 5 EDBDHN Cc1nc(CCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000571753980 448199848 /nfs/dbraw/zinc/19/98/48/448199848.db2.gz ANANYNDXPLLTHB-CQSZACIVSA-N 0 3 337.401 1.932 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CO)Cc1ccccc1 ZINC000577512501 448319094 /nfs/dbraw/zinc/31/90/94/448319094.db2.gz AXPKXAOARCCFAQ-CVEARBPZSA-N 0 3 346.383 1.528 20 5 EDBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CCN(c2ccncc2)CC1 ZINC000591458198 448370637 /nfs/dbraw/zinc/37/06/37/448370637.db2.gz ZNYMIXZCFKPHAD-UHFFFAOYSA-N 0 3 327.344 1.415 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H]2OCCc3ccccc32)c1 ZINC000591739705 448479401 /nfs/dbraw/zinc/47/94/01/448479401.db2.gz UUBYSOFTGVSLQT-ZBFHGGJFSA-N 0 3 332.360 1.056 20 5 EDBDHN Cc1nn(CCC(=O)N2CCCC[C@@H]2CN(C)C)c(C)c1[N+](=O)[O-] ZINC000517862696 448623846 /nfs/dbraw/zinc/62/38/46/448623846.db2.gz WXVVZJNHVUDYGD-CQSZACIVSA-N 0 3 337.424 1.741 20 5 EDBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1=CCN(C)CC1 ZINC000540968587 448661126 /nfs/dbraw/zinc/66/11/26/448661126.db2.gz STEPHDLMHWEREZ-LLVKDONJSA-N 0 3 347.371 1.746 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000541819319 448696053 /nfs/dbraw/zinc/69/60/53/448696053.db2.gz MUYQYOULZIRLMJ-ZDUSSCGKSA-N 0 3 341.433 1.832 20 5 EDBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860501 448942265 /nfs/dbraw/zinc/94/22/65/448942265.db2.gz GLWJJXYQPLTCEJ-QWHCGFSZSA-N 0 3 344.371 1.357 20 5 EDBDHN C[NH+](C)CC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593566793 449075460 /nfs/dbraw/zinc/07/54/60/449075460.db2.gz IURFOUQHAUSQRE-UHFFFAOYSA-N 0 3 342.421 1.389 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000590010539 449095601 /nfs/dbraw/zinc/09/56/01/449095601.db2.gz ODDXCBCXJMXGFA-JSGCOSHPSA-N 0 3 329.360 1.781 20 5 EDBDHN CN1C[C@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000590012028 449096950 /nfs/dbraw/zinc/09/69/50/449096950.db2.gz OATXZNFWFANRCX-TZMCWYRMSA-N 0 3 329.360 1.781 20 5 EDBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599938489 449116906 /nfs/dbraw/zinc/11/69/06/449116906.db2.gz CAIHGXSLXYTWNH-LTIDMASMSA-N 0 3 345.399 1.366 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590282242 449124507 /nfs/dbraw/zinc/12/45/07/449124507.db2.gz UPPDUIOTYHGNPS-SMDDNHRTSA-N 0 3 332.360 1.004 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)[C@@H]2C1 ZINC000590442375 449164791 /nfs/dbraw/zinc/16/47/91/449164791.db2.gz FYCLISYQHSFZHO-ZWNOBZJWSA-N 0 3 333.344 1.142 20 5 EDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000590400835 449148562 /nfs/dbraw/zinc/14/85/62/449148562.db2.gz ZKHGNIBFSYDHQA-UKRRQHHQSA-N 0 3 349.387 1.295 20 5 EDBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590588680 449204290 /nfs/dbraw/zinc/20/42/90/449204290.db2.gz HTXCICXIKPHDKA-YPMHNXCESA-N 0 3 327.406 1.449 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000595906592 449244714 /nfs/dbraw/zinc/24/47/14/449244714.db2.gz LOTSFUUNSKKQSF-YUSALJHKSA-N 0 3 340.355 1.302 20 5 EDBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1=O ZINC000593486123 449304443 /nfs/dbraw/zinc/30/44/43/449304443.db2.gz LBSDMIDEHDVKNC-UHFFFAOYSA-N 0 3 343.387 1.353 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000600271904 449283978 /nfs/dbraw/zinc/28/39/78/449283978.db2.gz BTMGMVGEZNEABG-GFCCVEGCSA-N 0 3 339.417 1.503 20 5 EDBDHN CC(C)(NC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000602112450 449354660 /nfs/dbraw/zinc/35/46/60/449354660.db2.gz HULLVSNRSZKDLF-HUUCEWRRSA-N 0 3 333.388 1.809 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600472048 449396842 /nfs/dbraw/zinc/39/68/42/449396842.db2.gz MJZBJDNJVAOFJT-CQSZACIVSA-N 0 3 335.408 1.623 20 5 EDBDHN CC(C)N1CCN([C@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596157755 449389098 /nfs/dbraw/zinc/38/90/98/449389098.db2.gz DRZIPXWCSGXDNN-ZDUSSCGKSA-N 0 3 335.408 1.300 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N[C@@H](CN)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594451433 449526650 /nfs/dbraw/zinc/52/66/50/449526650.db2.gz ZBUKHACUJFRHEH-JTQLQIEISA-N 0 3 349.265 1.391 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)C(F)(F)F ZINC000594532272 449565452 /nfs/dbraw/zinc/56/54/52/449565452.db2.gz LHNWXJXCAUFZCU-SNVBAGLBSA-N 0 3 348.281 1.102 20 5 EDBDHN CCN(C)C[C@H](O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000594569952 449576923 /nfs/dbraw/zinc/57/69/23/449576923.db2.gz UJCWSGQAHCDOIY-AWEZNQCLSA-N 0 3 332.360 1.131 20 5 EDBDHN CCN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCN(C)C1 ZINC000596585914 449563232 /nfs/dbraw/zinc/56/32/32/449563232.db2.gz BYEKZTMMHPCDGY-GFCCVEGCSA-N 0 3 346.391 1.707 20 5 EDBDHN CCNCc1ccn(Cc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)n1 ZINC000594651848 449608074 /nfs/dbraw/zinc/60/80/74/449608074.db2.gz MNOSYGUJEJBSIW-UHFFFAOYSA-N 0 3 341.375 1.589 20 5 EDBDHN Cc1ccc(CNC[C@@]2(CO)COCC3(CCC3)N2C)cc1[N+](=O)[O-] ZINC000598991204 449684574 /nfs/dbraw/zinc/68/45/74/449684574.db2.gz WENOFQQDPGGOMX-GOSISDBHSA-N 0 3 349.431 1.609 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000601149563 449718488 /nfs/dbraw/zinc/71/84/88/449718488.db2.gz MXHSFXRWJNWKNY-NQBHXWOUSA-N 0 3 338.360 1.802 20 5 EDBDHN COC(=O)[C@H]1CN(C)CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601176377 449734752 /nfs/dbraw/zinc/73/47/52/449734752.db2.gz OWUKBOUZLGGYGQ-LBPRGKRZSA-N 0 3 344.371 1.684 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-][C@H]2CCN3CCCC[C@H]23)c([N+](=O)[O-])s1 ZINC000601307768 449818523 /nfs/dbraw/zinc/81/85/23/449818523.db2.gz HBQLXZWTYAPRCE-WDEREUQCSA-N 0 3 345.446 1.870 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])s1 ZINC000601307768 449818526 /nfs/dbraw/zinc/81/85/26/449818526.db2.gz HBQLXZWTYAPRCE-WDEREUQCSA-N 0 3 345.446 1.870 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])s1 ZINC000601307768 449818529 /nfs/dbraw/zinc/81/85/29/449818529.db2.gz HBQLXZWTYAPRCE-WDEREUQCSA-N 0 3 345.446 1.870 20 5 EDBDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000595195094 449937419 /nfs/dbraw/zinc/93/74/19/449937419.db2.gz ZBJDMJAIYXPJHD-ZDUSSCGKSA-N 0 3 348.403 1.751 20 5 EDBDHN C[C@](CO)(NC[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000602961458 449962805 /nfs/dbraw/zinc/96/28/05/449962805.db2.gz ADMFQVBLOOIIOY-QZTJIDSGSA-N 0 3 330.384 1.996 20 5 EDBDHN CN1CCC(N(C(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc2)CC1 ZINC000609566813 450053008 /nfs/dbraw/zinc/05/30/08/450053008.db2.gz OHWOANMYXWZNFO-UHFFFAOYSA-N 0 3 344.375 1.314 20 5 EDBDHN C[C@@H](C(=O)N1CCC[C@@](O)(CN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597574039 450117638 /nfs/dbraw/zinc/11/76/38/450117638.db2.gz MDHSMRHITBWLTH-CXAGYDPISA-N 0 3 335.404 1.613 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(C)(C)NS(C)(=O)=O ZINC000615724123 450212986 /nfs/dbraw/zinc/21/29/86/450212986.db2.gz MKTFMXRRAJIZOI-WQLSENKSSA-N 0 3 341.433 1.916 20 5 EDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC1CCC1 ZINC000595548030 450223515 /nfs/dbraw/zinc/22/35/15/450223515.db2.gz ZJGDROIAPZADCV-UHFFFAOYSA-N 0 3 341.433 1.995 20 5 EDBDHN CNc1nccc(C(=O)N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598259923 486706099 /nfs/dbraw/zinc/70/60/99/486706099.db2.gz GDHZWTCJUZVENC-GFCCVEGCSA-N 0 3 335.408 1.882 20 5 EDBDHN CC(C)(C(=O)NCC1CCN(CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000340291303 534326951 /nfs/dbraw/zinc/32/69/51/534326951.db2.gz PRNSRHCFRGUWMN-UHFFFAOYSA-N 0 3 349.431 1.693 20 5 EDBDHN CC[NH+]1CCC(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000173512040 528968882 /nfs/dbraw/zinc/96/88/82/528968882.db2.gz SNENRRJHZKFQQT-UHFFFAOYSA-N 0 3 341.433 1.995 20 5 EDBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000263981785 535718824 /nfs/dbraw/zinc/71/88/24/535718824.db2.gz BNFMFYXIAQGCLJ-GFCCVEGCSA-N 0 3 348.407 1.817 20 5 EDBDHN CN(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000035870210 535888540 /nfs/dbraw/zinc/88/85/40/535888540.db2.gz ZKBJJKRIMDDCOZ-DOTOQJQBSA-N 0 3 346.431 1.804 20 5 EDBDHN CN(C)CCOc1ccc(CCNc2c([N+](=O)[O-])ncn2C)cc1 ZINC000264123273 535904075 /nfs/dbraw/zinc/90/40/75/535904075.db2.gz OCSVJXFTUQWCIK-UHFFFAOYSA-N 0 3 333.392 1.923 20 5 EDBDHN CN(C)CCOc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000263726352 535904808 /nfs/dbraw/zinc/90/48/08/535904808.db2.gz PGWQUYXITPXGSY-UHFFFAOYSA-N 0 3 332.364 1.520 20 5 EDBDHN COc1ccc(CC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000727675784 578537104 /nfs/dbraw/zinc/53/71/04/578537104.db2.gz SHMFERNJYFBPEL-KBPBESRZSA-N 0 3 349.387 1.125 20 5 EDBDHN Nc1ccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000733158057 578744553 /nfs/dbraw/zinc/74/45/53/578744553.db2.gz JEBJYQKGUSYENO-CQSZACIVSA-N 0 3 348.403 1.550 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H](O)COc2ccccc2)c1 ZINC000749671470 579734314 /nfs/dbraw/zinc/73/43/14/579734314.db2.gz PDVKADIZPNXLGI-WBVHZDCISA-N 0 3 332.356 1.658 20 5 EDBDHN COC1CCN(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751059177 579793141 /nfs/dbraw/zinc/79/31/41/579793141.db2.gz XAOXRXVSFCFAJC-DAXSKMNVSA-N 0 3 333.388 1.835 20 5 EDBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778274648 580460505 /nfs/dbraw/zinc/46/05/05/580460505.db2.gz CACSNEMNYRXJJG-LLVKDONJSA-N 0 3 337.405 1.916 20 5 EDBDHN CN1CCC[C@@H](N2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000776591105 580422936 /nfs/dbraw/zinc/42/29/36/580422936.db2.gz ATNROOZTTGRTNE-QZTJIDSGSA-N 0 3 348.447 1.340 20 5 EDBDHN CN1CCC[C@@H](N2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000776591101 580422964 /nfs/dbraw/zinc/42/29/64/580422964.db2.gz ATNROOZTTGRTNE-MSOLQXFVSA-N 0 3 348.447 1.340 20 5 EDBDHN CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000795509495 580926478 /nfs/dbraw/zinc/92/64/78/580926478.db2.gz WIAOCZAPWYFJFE-UHFFFAOYSA-N 0 3 326.328 1.260 20 5 EDBDHN Cc1cc(OCC(=O)N[C@]2(C)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892767922 591168745 /nfs/dbraw/zinc/16/87/45/591168745.db2.gz FVVDJLGYRCYMNJ-QGZVFWFLSA-N 0 3 333.388 1.883 20 5 EDBDHN C[C@@H]1[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCN1C ZINC000895734763 591264675 /nfs/dbraw/zinc/26/46/75/591264675.db2.gz AEJYCYWOHLEYJQ-HIFRSBDPSA-N 0 3 334.420 1.932 20 5 EDBDHN COc1c(O)ccc(CN(C)C2CCN(OC)CC2)c1[N+](=O)[O-] ZINC000894813239 591426484 /nfs/dbraw/zinc/42/64/84/591426484.db2.gz PMGRHVSHEHGEML-UHFFFAOYSA-N 0 3 325.365 1.767 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccncc3)C[C@@H]2C)n1 ZINC000895269973 591694047 /nfs/dbraw/zinc/69/40/47/591694047.db2.gz WHFVLJMYQIBCHA-LBPRGKRZSA-N 0 3 344.375 1.557 20 5 EDBDHN C[C@H]1CN(c2ccncc2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000895277119 591697218 /nfs/dbraw/zinc/69/72/18/591697218.db2.gz ZOXQOQULDCUIQJ-ZDUSSCGKSA-N 0 3 344.375 1.314 20 5 EDBDHN CCOC(=O)c1ccnc(N2CCC23CCN(C)CC3)c1[N+](=O)[O-] ZINC000897133998 591747311 /nfs/dbraw/zinc/74/73/11/591747311.db2.gz WBGJNVKNFOIEMQ-UHFFFAOYSA-N 0 3 334.376 1.841 20 5 EDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCNCCNCC1 ZINC000900476404 592036110 /nfs/dbraw/zinc/03/61/10/592036110.db2.gz ZGHMQIZERATYFP-UHFFFAOYSA-N 0 3 327.772 1.275 20 5 EDBDHN CN1CCC(NCc2cn(Cc3ccc([N+](=O)[O-])cc3F)nn2)CC1 ZINC000900546631 592045249 /nfs/dbraw/zinc/04/52/49/592045249.db2.gz NLGILWAFHRFBMO-UHFFFAOYSA-N 0 3 348.382 1.558 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000900686981 592094536 /nfs/dbraw/zinc/09/45/36/592094536.db2.gz QMUCTUMTAKSJIJ-CQSZACIVSA-N 0 3 348.447 1.967 20 5 EDBDHN CC(C)Oc1cc(C(=O)N(C)CCN(C)CCO)ccc1[N+](=O)[O-] ZINC000912599755 593107456 /nfs/dbraw/zinc/10/74/56/593107456.db2.gz SGOCPKLELKCKMB-UHFFFAOYSA-N 0 3 339.392 1.378 20 5 EDBDHN CC(C)N(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839486141 593306565 /nfs/dbraw/zinc/30/65/65/593306565.db2.gz SHENWXATGYUPFS-UHFFFAOYSA-N 0 3 342.783 1.643 20 5 EDBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000813110468 593518567 /nfs/dbraw/zinc/51/85/67/593518567.db2.gz BFVZSRWGCSBSRE-GXFFZTMASA-N 0 3 334.328 1.516 20 5 EDBDHN CC(C)NS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109707 593518593 /nfs/dbraw/zinc/51/85/93/593518593.db2.gz OACMQJPIQZXUCF-SNVBAGLBSA-N 0 3 330.362 1.195 20 5 EDBDHN COc1cc(CCC(=O)OCC(C)[N+](=O)[O-])cc(OC)c1OC ZINC000813115205 593518822 /nfs/dbraw/zinc/51/88/22/593518822.db2.gz MSXXBMHBPRIZKW-JTQLQIEISA-N 0 3 327.333 1.853 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000819189490 593743602 /nfs/dbraw/zinc/74/36/02/593743602.db2.gz HLANXCQRLJVSEH-ZBFHGGJFSA-N 0 3 328.372 1.892 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000819230388 593745745 /nfs/dbraw/zinc/74/57/45/593745745.db2.gz VCVYHDJLFHMLQP-YYIAUSFCSA-N 0 3 336.388 1.944 20 5 EDBDHN COCCO[C@@H]1COCC[C@@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819245706 593746300 /nfs/dbraw/zinc/74/63/00/593746300.db2.gz YWWLAMQRCWRWIT-HRCADAONSA-N 0 3 340.376 1.038 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000819332357 593750911 /nfs/dbraw/zinc/75/09/11/593750911.db2.gz BTBHCRJNFABDEU-MWDXBVQZSA-N 0 3 346.387 1.833 20 5 EDBDHN C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820752426 593881346 /nfs/dbraw/zinc/88/13/46/593881346.db2.gz MXWAEELEROZUFY-PRHODGIISA-N 0 3 330.352 1.065 20 5 EDBDHN C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820752426 593881348 /nfs/dbraw/zinc/88/13/48/593881348.db2.gz MXWAEELEROZUFY-PRHODGIISA-N 0 3 330.352 1.065 20 5 EDBDHN C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820752426 593881350 /nfs/dbraw/zinc/88/13/50/593881350.db2.gz MXWAEELEROZUFY-PRHODGIISA-N 0 3 330.352 1.065 20 5 EDBDHN C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820752426 593881352 /nfs/dbraw/zinc/88/13/52/593881352.db2.gz MXWAEELEROZUFY-PRHODGIISA-N 0 3 330.352 1.065 20 5 EDBDHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821001187 593942297 /nfs/dbraw/zinc/94/22/97/593942297.db2.gz PSIVURWIUZPFCP-AAEUAGOBSA-N 0 3 343.391 1.838 20 5 EDBDHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821001187 593942298 /nfs/dbraw/zinc/94/22/98/593942298.db2.gz PSIVURWIUZPFCP-AAEUAGOBSA-N 0 3 343.391 1.838 20 5 EDBDHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821001187 593942300 /nfs/dbraw/zinc/94/23/00/593942300.db2.gz PSIVURWIUZPFCP-AAEUAGOBSA-N 0 3 343.391 1.838 20 5 EDBDHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821001187 593942302 /nfs/dbraw/zinc/94/23/02/593942302.db2.gz PSIVURWIUZPFCP-AAEUAGOBSA-N 0 3 343.391 1.838 20 5 EDBDHN CN(C)CCn1cc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000825560475 594200721 /nfs/dbraw/zinc/20/07/21/594200721.db2.gz MPPDWWGJQHKECG-AWEZNQCLSA-N 0 3 333.348 1.025 20 5 EDBDHN CCN(CC)CCS(=O)(=O)Oc1cc(OC)ccc1[N+](=O)[O-] ZINC000827953225 594309407 /nfs/dbraw/zinc/30/94/07/594309407.db2.gz IOHSBKPLFCZEND-UHFFFAOYSA-N 0 3 332.378 1.654 20 5 EDBDHN CCN1CCN(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000830750701 594470813 /nfs/dbraw/zinc/47/08/13/594470813.db2.gz OMMYPZCRWYXLAW-UHFFFAOYSA-N 0 3 340.811 1.616 20 5 EDBDHN CCO[C@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])CN(C)C ZINC000831737681 594697805 /nfs/dbraw/zinc/69/78/05/594697805.db2.gz KKETZMXNLPHFES-GFCCVEGCSA-N 0 3 327.356 1.739 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000842249624 595054654 /nfs/dbraw/zinc/05/46/54/595054654.db2.gz GXNNWVUDXGCVCK-AWEZNQCLSA-N 0 3 329.784 1.681 20 5 EDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCNCc1cccnc1 ZINC000843303740 595067639 /nfs/dbraw/zinc/06/76/39/595067639.db2.gz ZEPAKCVOXJWZBX-UHFFFAOYSA-N 0 3 329.360 1.482 20 5 EDBDHN COc1cc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000867309510 595227043 /nfs/dbraw/zinc/22/70/43/595227043.db2.gz SIXGRISBMWJTAM-ZYHUDNBSSA-N 0 3 343.405 1.317 20 5 EDBDHN C[C@H](OC(=O)C1CCCN(C)C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000837953898 595238683 /nfs/dbraw/zinc/23/86/83/595238683.db2.gz LJAJCKFVYRZKQV-GXFFZTMASA-N 0 3 349.343 1.333 20 5 EDBDHN CN1CCC(ONC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000846646304 595291565 /nfs/dbraw/zinc/29/15/65/595291565.db2.gz CRMGBWLKZSDCMB-UHFFFAOYSA-N 0 3 337.332 1.122 20 5 EDBDHN O=[N+]([O-])c1ccccc1NCCc1noc(C[C@@H]2CNCCO2)n1 ZINC000843184709 595300983 /nfs/dbraw/zinc/30/09/83/595300983.db2.gz IDZJJZWSJSKHCY-LLVKDONJSA-N 0 3 333.348 1.163 20 5 EDBDHN [NH3+]CC1([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000857764973 595599976 /nfs/dbraw/zinc/59/99/76/595599976.db2.gz GVOFYPHUXODBEY-UHFFFAOYSA-N 0 3 329.303 1.954 20 5 EDBDHN C[C@H]1CC[NH2+]C[C@H]1[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765905 595600883 /nfs/dbraw/zinc/60/08/83/595600883.db2.gz LSBAOJOFYGCZMT-JOYOIKCWSA-N 0 3 329.303 1.681 20 5 EDBDHN CC(COC(=O)c1cncc2nc(C(F)(F)F)n(C)c21)[N+](=O)[O-] ZINC000851037388 595710626 /nfs/dbraw/zinc/71/06/26/595710626.db2.gz UQTLMLSQVOQVOI-LURJTMIESA-N 0 3 332.238 1.809 20 5 EDBDHN CON(C)C(=O)[C@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000858581420 595834006 /nfs/dbraw/zinc/83/40/06/595834006.db2.gz DUUFTZKELRWMJD-MNOVXSKESA-N 0 3 338.364 1.310 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN(CCN2CCOCC2)CC2CC2)cc1 ZINC000852636430 596214839 /nfs/dbraw/zinc/21/48/39/596214839.db2.gz UNFFONYEILIPCY-GOSISDBHSA-N 0 3 349.431 1.672 20 5 EDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000865061330 596459620 /nfs/dbraw/zinc/45/96/20/596459620.db2.gz XVKNRKHYYZWAQO-CHWSQXEVSA-N 0 3 337.351 1.256 20 5 EDBDHN COC(=O)C1=CC[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000863571881 596621897 /nfs/dbraw/zinc/62/18/97/596621897.db2.gz GHWWUDMHWOTOSD-JSGCOSHPSA-N 0 3 336.344 1.186 20 5 EDBDHN COC(=O)c1cc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc([N+](=O)[O-])c1 ZINC000874849285 597200357 /nfs/dbraw/zinc/20/03/57/597200357.db2.gz IVZWTAASMHJWGN-LSDHHAIUSA-N 0 3 347.371 1.690 20 5 EDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000876473822 597215545 /nfs/dbraw/zinc/21/55/45/597215545.db2.gz ZRAXGIUZHCKRCM-CQSZACIVSA-N 0 3 343.405 1.076 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C[C@H](O)CN1CCOCC1 ZINC000876757323 597325426 /nfs/dbraw/zinc/32/54/26/597325426.db2.gz BWRSLBPXMSSMCL-HNNXBMFYSA-N 0 3 337.420 1.337 20 5 EDBDHN Cc1nc(C(C)C)ccc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662204 697437581 /nfs/dbraw/zinc/43/75/81/697437581.db2.gz XDIZOVTYJHFHPY-NVXWUHKLSA-N 0 3 346.431 1.727 20 5 EDBDHN COc1cc(CN[C@@H](C)CN2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000921531440 703391681 /nfs/dbraw/zinc/39/16/81/703391681.db2.gz FSEXQGDWKIGKIP-LBPRGKRZSA-N 0 3 339.392 1.422 20 5 EDBDHN CC[C@H](O)[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181900248 529712243 /nfs/dbraw/zinc/71/22/43/529712243.db2.gz HHAGNPLTBNRXLX-LZWOXQAQSA-N 0 3 338.404 1.960 20 5 EDBDHN COCCN(C)C[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478460 306299847 /nfs/dbraw/zinc/29/98/47/306299847.db2.gz HNJWCJDCYWGNJZ-ZFWWWQNUSA-N 0 3 325.409 1.493 20 5 EDBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414201247 304105737 /nfs/dbraw/zinc/10/57/37/304105737.db2.gz XWMLGHIAFFKXDZ-DGCLKSJQSA-N 0 3 335.364 1.297 20 5 EDBDHN CCN1CCN([C@@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107368265 204233524 /nfs/dbraw/zinc/23/35/24/204233524.db2.gz ZJGJEUAMCDEIIZ-QGZVFWFLSA-N 0 3 348.447 1.685 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111547724 204362574 /nfs/dbraw/zinc/36/25/74/204362574.db2.gz JMNXLYWVKBZAES-GFCCVEGCSA-N 0 3 344.371 1.650 20 5 EDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H](O)CN1CCCCC1 ZINC000159938101 206271603 /nfs/dbraw/zinc/27/16/03/206271603.db2.gz MBTAUNAOEFEMGM-HVHJFMEUSA-N 0 3 333.388 1.571 20 5 EDBDHN Cc1c(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cccc1[N+](=O)[O-] ZINC000162401203 206399002 /nfs/dbraw/zinc/39/90/02/206399002.db2.gz ZXUIPCLXGFMDSU-KRWDZBQOSA-N 0 3 346.431 1.642 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249199648 139189089 /nfs/dbraw/zinc/18/90/89/139189089.db2.gz QRPFDAJFKRXXBK-WCQYABFASA-N 0 3 348.403 1.783 20 5 EDBDHN COc1cccc([C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000174711385 207049665 /nfs/dbraw/zinc/04/96/65/207049665.db2.gz NNJLGDKIPJMWAA-RDJZCZTQSA-N 0 3 346.387 1.998 20 5 EDBDHN CCC[C@@](C)(N)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000262302426 139268124 /nfs/dbraw/zinc/26/81/24/139268124.db2.gz KXNPMKVCDPVUBX-MRXNPFEDSA-N 0 3 339.392 1.788 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@H](C)C2)cc1C ZINC000262486898 139281828 /nfs/dbraw/zinc/28/18/28/139281828.db2.gz KMFAKBSUGJJQTC-VXGBXAGGSA-N 0 3 327.406 1.630 20 5 EDBDHN CN(C)CCN(C)C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459968241 255013232 /nfs/dbraw/zinc/01/32/32/255013232.db2.gz DPSPRWURQNVYNX-UHFFFAOYSA-N 0 3 348.403 1.106 20 5 EDBDHN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F ZINC000493042409 255189516 /nfs/dbraw/zinc/18/95/16/255189516.db2.gz BXJKKJPUYQNYSM-KMOQFTEPSA-N 0 3 329.278 1.861 20 5 EDBDHN CC(C)[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000118690723 221171323 /nfs/dbraw/zinc/17/13/23/221171323.db2.gz UKPKSXUNJASZAY-IUODEOHRSA-N 0 3 335.408 1.589 20 5 EDBDHN CCN(CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CC1 ZINC000271312579 140276543 /nfs/dbraw/zinc/27/65/43/140276543.db2.gz MKBGPPPRDFSXBC-UHFFFAOYSA-N 0 3 335.389 1.814 20 5 EDBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271351249 140283366 /nfs/dbraw/zinc/28/33/66/140283366.db2.gz FANMXGMGFCWZJO-ZDUSSCGKSA-N 0 3 331.376 1.231 20 5 EDBDHN CCN1CCC[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332447637 141183439 /nfs/dbraw/zinc/18/34/39/141183439.db2.gz DPGMAPZYHZKJSQ-CYBMUJFWSA-N 0 3 349.387 1.509 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000332470488 141187276 /nfs/dbraw/zinc/18/72/76/141187276.db2.gz JWWNZKGFHVFKJC-AAEUAGOBSA-N 0 3 349.387 1.507 20 5 EDBDHN COCCN1CC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347280197 143303380 /nfs/dbraw/zinc/30/33/80/143303380.db2.gz XXECJHWIPOFQDS-NSHDSACASA-N 0 3 326.328 1.576 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000115586102 292172100 /nfs/dbraw/zinc/17/21/00/292172100.db2.gz FNRXHMGCGSRHFF-ZDUSSCGKSA-N 0 3 341.433 1.866 20 5 EDBDHN CCC[N@H+](CC)C[C@H](C)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000352585222 149074604 /nfs/dbraw/zinc/07/46/04/149074604.db2.gz BMEYYYCYDLNZKB-NSHDSACASA-N 0 3 347.441 1.210 20 5 EDBDHN CCC[N@@H+](CC)C[C@H](C)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000352585222 149074610 /nfs/dbraw/zinc/07/46/10/149074610.db2.gz BMEYYYCYDLNZKB-NSHDSACASA-N 0 3 347.441 1.210 20 5 EDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1CS(=O)(=O)CCO1 ZINC000358307426 151332699 /nfs/dbraw/zinc/33/26/99/151332699.db2.gz QKCVQQPEBMBASF-OCCSQVGLSA-N 0 3 342.417 1.319 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000361004819 152276635 /nfs/dbraw/zinc/27/66/35/152276635.db2.gz OOSYOZUIGMKTFP-JSGCOSHPSA-N 0 3 339.779 1.841 20 5 EDBDHN COc1ccc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000104748313 286347624 /nfs/dbraw/zinc/34/76/24/286347624.db2.gz IBRZTMNVGHTTIF-NSHDSACASA-N 0 3 343.405 1.176 20 5 EDBDHN COC(=O)[C@]12CCC[C@@H]1CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000363699462 153033335 /nfs/dbraw/zinc/03/33/35/153033335.db2.gz LCKRJQKFCAWSBK-DYVFJYSZSA-N 0 3 347.371 1.469 20 5 EDBDHN CN1CC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000369572696 155093381 /nfs/dbraw/zinc/09/33/81/155093381.db2.gz BFUPYGFIMDZPPN-IAQYHMDHSA-N 0 3 349.416 1.662 20 5 EDBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000372327308 156334955 /nfs/dbraw/zinc/33/49/55/156334955.db2.gz VTCPHIGCRPFTCG-UONOGXRCSA-N 0 3 329.360 1.005 20 5 EDBDHN Cc1ccc(N2CCC[C@H](N(C)CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000377932639 158032223 /nfs/dbraw/zinc/03/22/23/158032223.db2.gz QHOUBKRSDMTZCJ-AWEZNQCLSA-N 0 3 345.407 1.491 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)C(=O)N(C)C ZINC000074286471 287269462 /nfs/dbraw/zinc/26/94/62/287269462.db2.gz IKELNNNZCOEARG-UHFFFAOYSA-N 0 3 336.392 1.688 20 5 EDBDHN COC(=O)[C@]1(C)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273399175 268043127 /nfs/dbraw/zinc/04/31/27/268043127.db2.gz WBBOWRFZYZWGBW-MLGOLLRUSA-N 0 3 338.360 1.220 20 5 EDBDHN Cc1cc(S(=O)(=O)NCC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000275413699 268339387 /nfs/dbraw/zinc/33/93/87/268339387.db2.gz BOSLDJRECVJMTC-UHFFFAOYSA-N 0 3 327.406 1.666 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(N(C)C)CCC1 ZINC000275437304 268342396 /nfs/dbraw/zinc/34/23/96/268342396.db2.gz GLSNGVXYKANOSN-UHFFFAOYSA-N 0 3 343.405 1.366 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276059909 273145242 /nfs/dbraw/zinc/14/52/42/273145242.db2.gz KOQSNVCCEJOIGV-CYBMUJFWSA-N 0 3 334.376 1.462 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CC(N)=O)c1ccccc1 ZINC000280564924 273371812 /nfs/dbraw/zinc/37/18/12/273371812.db2.gz RLDPBPYEKZGEJE-HNNXBMFYSA-N 0 3 344.371 1.305 20 5 EDBDHN COc1cc(CNCC2([S@](C)=O)CCC2)c([N+](=O)[O-])cc1O ZINC000280608003 273377110 /nfs/dbraw/zinc/37/71/10/273377110.db2.gz JXEIZUDCGPVFTM-QFIPXVFZSA-N 0 3 328.390 1.700 20 5 EDBDHN COc1cc(C(C)=O)cc([N+](=O)[O-])c1OC[C@H](O)CN(C)C1CC1 ZINC000357434151 274091905 /nfs/dbraw/zinc/09/19/05/274091905.db2.gz FBTJFTDSCPDMEH-CYBMUJFWSA-N 0 3 338.360 1.640 20 5 EDBDHN Cn1cc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C(N)=O)cn1 ZINC000284489454 274220597 /nfs/dbraw/zinc/22/05/97/274220597.db2.gz CMFPSVVCTWSIKH-CABCVRRESA-N 0 3 329.360 1.029 20 5 EDBDHN CN1CC[C@H]2OCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@H]2C1 ZINC000284540089 274238178 /nfs/dbraw/zinc/23/81/78/274238178.db2.gz LPJSGTPFNLHJIX-JKSUJKDBSA-N 0 3 346.387 1.389 20 5 EDBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCCNCC1 ZINC000269109732 275011159 /nfs/dbraw/zinc/01/11/59/275011159.db2.gz DGMKVHZRUBXMOU-UHFFFAOYSA-N 0 3 346.156 1.932 20 5 EDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]2CN2CCOCC2)c1 ZINC000075890216 275039606 /nfs/dbraw/zinc/03/96/06/275039606.db2.gz QOVLSUHYVZWLFX-MRXNPFEDSA-N 0 3 335.404 1.770 20 5 EDBDHN C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000373865486 278800137 /nfs/dbraw/zinc/80/01/37/278800137.db2.gz JCNJTFXOLKMWGQ-UKRRQHHQSA-N 0 3 333.436 1.639 20 5 EDBDHN Cc1ccnc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000367199825 278985674 /nfs/dbraw/zinc/98/56/74/278985674.db2.gz FJNKSCOQKNSVQT-CABCVRRESA-N 0 3 333.436 1.760 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCCCC3)C2)n1 ZINC000287218323 288183709 /nfs/dbraw/zinc/18/37/09/288183709.db2.gz IPWLHKOMGOBARJ-GFCCVEGCSA-N 0 3 334.376 1.841 20 5 EDBDHN CN(C)CCN(Cc1ccco1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290729708 288943567 /nfs/dbraw/zinc/94/35/67/288943567.db2.gz FTYWMDUFVCOARX-UHFFFAOYSA-N 0 3 333.348 1.250 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420470863 304762546 /nfs/dbraw/zinc/76/25/46/304762546.db2.gz QWCREOYDBHOUQH-MNOVXSKESA-N 0 3 343.405 1.399 20 5 EDBDHN CN(C)Cc1ccc(N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)nc1 ZINC000302172468 303716143 /nfs/dbraw/zinc/71/61/43/303716143.db2.gz VKVVREQIBWGPKC-UHFFFAOYSA-N 0 3 343.391 1.168 20 5 EDBDHN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CCN1C[C@H](C)O ZINC000430231207 305048066 /nfs/dbraw/zinc/04/80/66/305048066.db2.gz XMZGNVLFHUYBGX-DZGCQCFKSA-N 0 3 337.420 1.880 20 5 EDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430619266 305059313 /nfs/dbraw/zinc/05/93/13/305059313.db2.gz AYNPDBWTPKMTQH-CABCVRRESA-N 0 3 346.431 1.800 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000442175296 305226716 /nfs/dbraw/zinc/22/67/16/305226716.db2.gz QJYWTACRXLOXRY-VXGBXAGGSA-N 0 3 334.376 1.441 20 5 EDBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548928705 306142349 /nfs/dbraw/zinc/14/23/49/306142349.db2.gz ZLELXWBMXZNAQA-UHFFFAOYSA-N 0 3 329.360 1.712 20 5 EDBDHN CN1CCNC[C@H]1CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414959451 447374397 /nfs/dbraw/zinc/37/43/97/447374397.db2.gz FOOBXLYDVPVGIB-HNNXBMFYSA-N 0 3 330.388 1.848 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1 ZINC000046036414 441072484 /nfs/dbraw/zinc/07/24/84/441072484.db2.gz WUHFXRLADBVBPI-ZIAGYGMSSA-N 0 3 325.390 1.500 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000047270969 441172166 /nfs/dbraw/zinc/17/21/66/441172166.db2.gz XBBFBQACFQOMQO-AWEZNQCLSA-N 0 3 349.435 1.990 20 5 EDBDHN CNC(=O)c1ccc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000060378710 441239183 /nfs/dbraw/zinc/23/91/83/441239183.db2.gz MFNRMHHMJNANMM-UHFFFAOYSA-N 0 3 336.392 1.213 20 5 EDBDHN COCCN1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000080948183 441211087 /nfs/dbraw/zinc/21/10/87/441211087.db2.gz ADGBRMXSNCSDFD-UHFFFAOYSA-N 0 3 325.394 1.463 20 5 EDBDHN CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCCN(C)C1 ZINC000073115756 441294305 /nfs/dbraw/zinc/29/43/05/441294305.db2.gz SXOIUPMJWCJEKU-CYBMUJFWSA-N 0 3 349.387 1.461 20 5 EDBDHN CCCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(N)=O ZINC000063500176 441334098 /nfs/dbraw/zinc/33/40/98/441334098.db2.gz PALZPSSICDRUDF-UHFFFAOYSA-N 0 3 336.392 1.819 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000107629864 441422266 /nfs/dbraw/zinc/42/22/66/441422266.db2.gz FWAMFHAQWGYAPJ-CQSZACIVSA-N 0 3 335.408 1.577 20 5 EDBDHN CN1CCC(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000075083207 441492238 /nfs/dbraw/zinc/49/22/38/441492238.db2.gz RINCTUUDQWDGFI-UHFFFAOYSA-N 0 3 335.360 1.119 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000112917410 441567010 /nfs/dbraw/zinc/56/70/10/441567010.db2.gz AKXJXMDPFQQIPD-AWEZNQCLSA-N 0 3 334.420 1.659 20 5 EDBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000041966998 441689680 /nfs/dbraw/zinc/68/96/80/441689680.db2.gz SSUFWBHOWSKLRG-UHFFFAOYSA-N 0 3 338.408 1.359 20 5 EDBDHN Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(OCCN(C)C)c1 ZINC000137183543 441753473 /nfs/dbraw/zinc/75/34/73/441753473.db2.gz DTCBHAQBLJHLCO-UHFFFAOYSA-N 0 3 333.348 1.819 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000173365356 441724891 /nfs/dbraw/zinc/72/48/91/441724891.db2.gz MYIRQWOHLNXPNJ-YPMHNXCESA-N 0 3 337.405 1.488 20 5 EDBDHN CNS(=O)(=O)c1ccc(NCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000138706322 441796798 /nfs/dbraw/zinc/79/67/98/441796798.db2.gz RBPMZCPNNHDNMN-UHFFFAOYSA-N 0 3 328.394 1.009 20 5 EDBDHN CC(C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000173707177 441826659 /nfs/dbraw/zinc/82/66/59/441826659.db2.gz XXXBNFFVTBTGFG-KRWDZBQOSA-N 0 3 348.447 1.526 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173720507 441830488 /nfs/dbraw/zinc/83/04/88/441830488.db2.gz XGZHJOGRCDDKCD-OAHLLOKOSA-N 0 3 348.447 1.527 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174883427 441977636 /nfs/dbraw/zinc/97/76/36/441977636.db2.gz JFBCUVYAKCRUJL-GFCCVEGCSA-N 0 3 339.396 1.733 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN(C)CCCN1CCN(C)CC1 ZINC000174718387 441957145 /nfs/dbraw/zinc/95/71/45/441957145.db2.gz YIIJHLIRKMQNDJ-UHFFFAOYSA-N 0 3 336.436 1.673 20 5 EDBDHN Cc1c(CC(=O)NCCCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000161460659 442001976 /nfs/dbraw/zinc/00/19/76/442001976.db2.gz ZVTJAISNOMOLRC-UHFFFAOYSA-N 0 3 348.447 1.590 20 5 EDBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000164183373 442192043 /nfs/dbraw/zinc/19/20/43/442192043.db2.gz NCLSZBPXHROCQD-NSHDSACASA-N 0 3 344.375 1.668 20 5 EDBDHN COCCCN(C)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000152385041 442206023 /nfs/dbraw/zinc/20/60/23/442206023.db2.gz LZPOXGWEXJTOHE-UHFFFAOYSA-N 0 3 325.365 1.302 20 5 EDBDHN COCCN(C)CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000171129937 442317653 /nfs/dbraw/zinc/31/76/53/442317653.db2.gz WGDCCVMRNDWPNV-UHFFFAOYSA-N 0 3 327.406 1.625 20 5 EDBDHN COc1cc(CNCC2(OC)CCOCC2)c([N+](=O)[O-])cc1OC ZINC000610959349 450392885 /nfs/dbraw/zinc/39/28/85/450392885.db2.gz JTJXOOSTTBPKCA-UHFFFAOYSA-N 0 3 340.376 1.897 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192525271 442657904 /nfs/dbraw/zinc/65/79/04/442657904.db2.gz RROXXUQVUXWRCP-GFCCVEGCSA-N 0 3 337.376 1.444 20 5 EDBDHN COc1ccc(NC(=O)CN[C@H](CCO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000181485805 442700146 /nfs/dbraw/zinc/70/01/46/442700146.db2.gz AGKJSWNDZKNUIV-CQSZACIVSA-N 0 3 339.392 1.929 20 5 EDBDHN O=C(NCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccn[nH]1 ZINC000193275001 442728624 /nfs/dbraw/zinc/72/86/24/442728624.db2.gz UGWCGKAOSVCZIW-CQSZACIVSA-N 0 3 329.360 1.715 20 5 EDBDHN NC(=O)c1ccc(N2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000265521575 442807974 /nfs/dbraw/zinc/80/79/74/442807974.db2.gz RVQQFAUVTSOFGG-UHFFFAOYSA-N 0 3 348.403 1.242 20 5 EDBDHN COCCN(CCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266553901 443167157 /nfs/dbraw/zinc/16/71/57/443167157.db2.gz VAGFBDKEYIFESB-KRWDZBQOSA-N 0 3 348.403 1.343 20 5 EDBDHN CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000266541940 443162640 /nfs/dbraw/zinc/16/26/40/443162640.db2.gz GVYGZEVHGRLASH-HNNXBMFYSA-N 0 3 331.376 1.104 20 5 EDBDHN COCCN(C)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191075474 443235572 /nfs/dbraw/zinc/23/55/72/443235572.db2.gz SYANPDBIYSPHCN-UHFFFAOYSA-N 0 3 325.365 1.220 20 5 EDBDHN C[C@H](N[C@@H](CO)[C@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411995511 319219397 /nfs/dbraw/zinc/21/93/97/319219397.db2.gz QADSWGBSTLGNSW-HUBLWGQQSA-N 0 3 337.376 1.299 20 5 EDBDHN CC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000414091821 319317089 /nfs/dbraw/zinc/31/70/89/319317089.db2.gz LFRBPURJFCABAY-AGIUHOORSA-N 0 3 341.433 1.897 20 5 EDBDHN COCCN1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000264571354 443331357 /nfs/dbraw/zinc/33/13/57/443331357.db2.gz HPXUHZMJLFFGKZ-LBPRGKRZSA-N 0 3 334.376 1.612 20 5 EDBDHN CN(C)C(=O)[C@@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282564599 443376235 /nfs/dbraw/zinc/37/62/35/443376235.db2.gz DWJGYDHORVDVNM-AWEZNQCLSA-N 0 3 334.376 1.476 20 5 EDBDHN CN(C)C(=O)N1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278725319 443415369 /nfs/dbraw/zinc/41/53/69/443415369.db2.gz PXZABSVRQRSCKS-UHFFFAOYSA-N 0 3 346.391 1.707 20 5 EDBDHN COCCN1CC[C@H](NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000272888655 443480356 /nfs/dbraw/zinc/48/03/56/443480356.db2.gz YBDXQFJIEAQXHS-LBPRGKRZSA-N 0 3 338.364 1.446 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[C@@H](OC)C1(C)C ZINC000451495174 320235560 /nfs/dbraw/zinc/23/55/60/320235560.db2.gz KZWOZCFGDFGVDE-ZIAGYGMSSA-N 0 3 337.376 1.945 20 5 EDBDHN CC(C)N1CC[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000452112724 320242155 /nfs/dbraw/zinc/24/21/55/320242155.db2.gz GWAPADBTUNXAIT-INIZCTEOSA-N 0 3 346.431 1.898 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000452354935 320247826 /nfs/dbraw/zinc/24/78/26/320247826.db2.gz WPIIGEHXCNHOGJ-LBPRGKRZSA-N 0 3 337.376 1.180 20 5 EDBDHN CCN1CCN(CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286286383 443683682 /nfs/dbraw/zinc/68/36/82/443683682.db2.gz XOOGSWREBJJAPK-UHFFFAOYSA-N 0 3 336.421 1.649 20 5 EDBDHN Cc1cc(OCC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000281375910 443893547 /nfs/dbraw/zinc/89/35/47/443893547.db2.gz GJXLEQURYJKEKH-KGLIPLIRSA-N 0 3 333.388 1.977 20 5 EDBDHN CCOC(=O)[C@]1(COC)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000281316897 443877982 /nfs/dbraw/zinc/87/79/82/443877982.db2.gz IMEAAAGWPYRTEI-OAHLLOKOSA-N 0 3 340.380 1.083 20 5 EDBDHN C[C@H](CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000537940616 320740038 /nfs/dbraw/zinc/74/00/38/320740038.db2.gz QJWIVUDVZDSXLV-WDEREUQCSA-N 0 3 343.405 1.335 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCCOc2ccccc2Cl)c1 ZINC000565300614 321180287 /nfs/dbraw/zinc/18/02/87/321180287.db2.gz XFXITYATPLDFMT-LBPRGKRZSA-N 0 3 340.767 1.474 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000565805760 321201082 /nfs/dbraw/zinc/20/10/82/321201082.db2.gz AUIYQZXPQHTNIR-ZDUSSCGKSA-N 0 3 348.403 1.841 20 5 EDBDHN Cc1nc(CCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000566113273 321216862 /nfs/dbraw/zinc/21/68/62/321216862.db2.gz IZSKQDZQPBHFKD-AWEZNQCLSA-N 0 3 335.360 1.772 20 5 EDBDHN O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCN1CCCC1 ZINC000289291636 444099122 /nfs/dbraw/zinc/09/91/22/444099122.db2.gz ABUXPMIMFWFHMQ-UHFFFAOYSA-N 0 3 339.373 1.225 20 5 EDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000569434917 321325457 /nfs/dbraw/zinc/32/54/57/321325457.db2.gz UCESVSZIPBONGB-UHFFFAOYSA-N 0 3 333.392 1.520 20 5 EDBDHN CCOc1ccc([C@@H](C)NCC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000571669343 321395898 /nfs/dbraw/zinc/39/58/98/321395898.db2.gz HTKABMDJMVXAKX-GFCCVEGCSA-N 0 3 336.392 1.076 20 5 EDBDHN C[C@H]1CN(CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCO1 ZINC000278152970 444108387 /nfs/dbraw/zinc/10/83/87/444108387.db2.gz OAXPTMVRDYIGRH-NSHDSACASA-N 0 3 337.380 1.002 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCCN(CCCO)C2)s1 ZINC000294857437 444151303 /nfs/dbraw/zinc/15/13/03/444151303.db2.gz BUJVAADXPBDZFP-SNVBAGLBSA-N 0 3 337.405 1.858 20 5 EDBDHN CNS(=O)(=O)c1ccc(NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000301198451 444153945 /nfs/dbraw/zinc/15/39/45/444153945.db2.gz KZBXYZUICVUUFQ-LLVKDONJSA-N 0 3 342.421 1.257 20 5 EDBDHN CN1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000301261545 444158590 /nfs/dbraw/zinc/15/85/90/444158590.db2.gz GJXUWQSWQMVYAJ-LBPRGKRZSA-N 0 3 339.827 1.859 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000299712711 444122720 /nfs/dbraw/zinc/12/27/20/444122720.db2.gz QSONYPOUOZNZPZ-JSGCOSHPSA-N 0 3 346.387 1.537 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[NH2+]C2CC2)cc1C ZINC000314362626 444299785 /nfs/dbraw/zinc/29/97/85/444299785.db2.gz XDIPONKSVMAYBW-UHFFFAOYSA-N 0 3 327.406 1.632 20 5 EDBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000331193079 444438774 /nfs/dbraw/zinc/43/87/74/444438774.db2.gz QPWPVXABMZTPDJ-ZIAGYGMSSA-N 0 3 327.406 1.545 20 5 EDBDHN Cn1cc([C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2(C)C)cn1 ZINC000581109968 322135999 /nfs/dbraw/zinc/13/59/99/322135999.db2.gz AFXOZGPSSRYSGI-CABCVRRESA-N 0 3 348.407 1.011 20 5 EDBDHN CNC(=O)c1ccc(N(C)C[C@H]2C[C@@H](OC)CN2C)c([N+](=O)[O-])c1 ZINC000343877118 444641152 /nfs/dbraw/zinc/64/11/52/444641152.db2.gz MKKTYPOXYZYKGZ-CHWSQXEVSA-N 0 3 336.392 1.110 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)c2ncnc3cccc([N+](=O)[O-])c32)N(C)C1 ZINC000343884087 444645899 /nfs/dbraw/zinc/64/58/99/444645899.db2.gz CGFMRCMBZMUAPB-NEPJUHHUSA-N 0 3 331.376 1.693 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000330534639 445022307 /nfs/dbraw/zinc/02/23/07/445022307.db2.gz IVKIFKJHXZPTGX-QWHCGFSZSA-N 0 3 327.381 1.852 20 5 EDBDHN O=C(CCN1CCSC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000337209960 444987281 /nfs/dbraw/zinc/98/72/81/444987281.db2.gz BNVAMNPSEJIANL-LBPRGKRZSA-N 0 3 339.417 1.723 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000337408248 445066907 /nfs/dbraw/zinc/06/69/07/445066907.db2.gz KHTMEQJHYHQULW-NWDGAFQWSA-N 0 3 335.360 1.807 20 5 EDBDHN Cn1nccc1[C@@H]1[C@H](NCc2cccc([N+](=O)[O-])c2)CCC(=O)N1C ZINC000343394461 445215286 /nfs/dbraw/zinc/21/52/86/445215286.db2.gz GGTKPEPZQDMAPX-PBHICJAKSA-N 0 3 343.387 1.780 20 5 EDBDHN COc1cc(CN[C@H](CC(N)=O)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000348279085 445336591 /nfs/dbraw/zinc/33/65/91/445336591.db2.gz NVZOYXRPCAXRSD-CYBMUJFWSA-N 0 3 337.376 1.364 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@]1(CO)CCOC1 ZINC000359832667 445451681 /nfs/dbraw/zinc/45/16/81/445451681.db2.gz LVMAUSOTCYFMPQ-INIZCTEOSA-N 0 3 337.376 1.315 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000362598051 445456920 /nfs/dbraw/zinc/45/69/20/445456920.db2.gz GBEPYOBSBUPYMV-ZDUSSCGKSA-N 0 3 349.387 1.461 20 5 EDBDHN C[C@H]1CCN(C)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000362604019 445459090 /nfs/dbraw/zinc/45/90/90/445459090.db2.gz XMDQCKMHRBGXFX-LBPRGKRZSA-N 0 3 349.387 1.461 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCCCC2)c1 ZINC000360145781 445593687 /nfs/dbraw/zinc/59/36/87/445593687.db2.gz ZUNIDVAMXQPRQA-CYBMUJFWSA-N 0 3 337.376 1.640 20 5 EDBDHN C[C@H](NC(=O)NCCNc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000356190219 445668778 /nfs/dbraw/zinc/66/87/78/445668778.db2.gz OODMUKZIWBBONJ-LBPRGKRZSA-N 0 3 329.360 1.884 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000353735162 445731584 /nfs/dbraw/zinc/73/15/84/445731584.db2.gz HLAMQNPUGDBNKR-MRXNPFEDSA-N 0 3 340.376 1.643 20 5 EDBDHN CC[C@@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(N)=O ZINC000351269228 446022381 /nfs/dbraw/zinc/02/23/81/446022381.db2.gz LSSZLRZDOHCIPA-OAHLLOKOSA-N 0 3 338.364 1.176 20 5 EDBDHN CN1C(=O)C[C@H](NCCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(F)cc1 ZINC000365190896 446073177 /nfs/dbraw/zinc/07/31/77/446073177.db2.gz PNCQYRKUOIXIQK-BBRMVZONSA-N 0 3 347.350 1.492 20 5 EDBDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000362031158 446167445 /nfs/dbraw/zinc/16/74/45/446167445.db2.gz ZTQFJXGZGOBHHU-NILFDRSVSA-N 0 3 337.376 1.705 20 5 EDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000365326761 446149251 /nfs/dbraw/zinc/14/92/51/446149251.db2.gz LHBQKNKRWMAODG-CQSZACIVSA-N 0 3 332.404 1.447 20 5 EDBDHN O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)NC1CCCC1 ZINC000365823724 446358706 /nfs/dbraw/zinc/35/87/06/446358706.db2.gz WCOGUULULFZVIU-UHFFFAOYSA-N 0 3 335.408 1.877 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000366865893 446388636 /nfs/dbraw/zinc/38/86/36/446388636.db2.gz FCHVDPBIGVLYPE-BZUAXINKSA-N 0 3 336.388 1.965 20 5 EDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@@H](CC[NH3+])C(F)F)s1 ZINC000420272925 446443789 /nfs/dbraw/zinc/44/37/89/446443789.db2.gz WYIDFGSPPOZEQK-YFKPBYRVSA-N 0 3 329.350 1.454 20 5 EDBDHN C[C@]1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000366896736 446402569 /nfs/dbraw/zinc/40/25/69/446402569.db2.gz NKVMAECRNIXZAK-QGZVFWFLSA-N 0 3 343.387 1.960 20 5 EDBDHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418778344 446695139 /nfs/dbraw/zinc/69/51/39/446695139.db2.gz INMPDEXQXLXWQZ-DGCLKSJQSA-N 0 3 336.392 1.262 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](n2cncn2)C1 ZINC000375320147 446717572 /nfs/dbraw/zinc/71/75/72/446717572.db2.gz QZPMEISEGGXKOM-AWEZNQCLSA-N 0 3 344.375 1.770 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1F ZINC000412142551 446878455 /nfs/dbraw/zinc/87/84/55/446878455.db2.gz YBQLGVJEDIJWJK-GHMZBOCLSA-N 0 3 339.367 1.884 20 5 EDBDHN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCCN1C ZINC000420993150 446970584 /nfs/dbraw/zinc/97/05/84/446970584.db2.gz AIUKLPCJWGUQAM-HNNXBMFYSA-N 0 3 332.404 1.510 20 5 EDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377482024 447154030 /nfs/dbraw/zinc/15/40/30/447154030.db2.gz RKAIGYCHEGEAQS-MIVXPEEVSA-N 0 3 331.372 1.587 20 5 EDBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368972201 447235388 /nfs/dbraw/zinc/23/53/88/447235388.db2.gz FOYMBWJZNNCWJV-PEYYIBSZSA-N 0 3 346.387 1.509 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@](C)(O)CCN(C)C ZINC000420000747 447537979 /nfs/dbraw/zinc/53/79/79/447537979.db2.gz QKYQFYIKPPYPNB-OAHLLOKOSA-N 0 3 325.365 1.036 20 5 EDBDHN CC(COC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000495951266 447669416 /nfs/dbraw/zinc/66/94/16/447669416.db2.gz QDXAEZBTIHLVKL-NEPJUHHUSA-N 0 3 346.380 1.611 20 5 EDBDHN COC(=O)COc1ccc(CN(C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000530500141 447900892 /nfs/dbraw/zinc/90/08/92/447900892.db2.gz WTQIPKNXVRMXRA-UHFFFAOYSA-N 0 3 338.360 1.757 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000525752900 448021937 /nfs/dbraw/zinc/02/19/37/448021937.db2.gz CDXAOJSEGHGFOR-UHFFFAOYSA-N 0 3 334.420 1.661 20 5 EDBDHN CN1CCC[C@]2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)C1 ZINC000576491794 448068716 /nfs/dbraw/zinc/06/87/16/448068716.db2.gz OOPUQWFCFZHXHV-KRWDZBQOSA-N 0 3 347.371 1.881 20 5 EDBDHN CCc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000515885587 448362594 /nfs/dbraw/zinc/36/25/94/448362594.db2.gz XWRBOMIFNPQFIP-QGZVFWFLSA-N 0 3 333.388 1.344 20 5 EDBDHN CC(C)(C(=O)Nc1cnc2c(c1)CNCC2)n1cc([N+](=O)[O-])cn1 ZINC000591681310 448449253 /nfs/dbraw/zinc/44/92/53/448449253.db2.gz DPNSBTNZQGSFNW-UHFFFAOYSA-N 0 3 330.348 1.206 20 5 EDBDHN CNc1nccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000566437121 448471262 /nfs/dbraw/zinc/47/12/62/448471262.db2.gz XAWBSONOPWEOAE-GFCCVEGCSA-N 0 3 333.392 1.732 20 5 EDBDHN Cc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c(=O)n1C ZINC000517231452 448558223 /nfs/dbraw/zinc/55/82/23/448558223.db2.gz IFJMBKCDJLLVOY-CQSZACIVSA-N 0 3 347.371 1.131 20 5 EDBDHN CCC[C@@H](O)[C@@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592431621 448834247 /nfs/dbraw/zinc/83/42/47/448834247.db2.gz PZJNPGXJULIVBD-TZMCWYRMSA-N 0 3 325.365 1.035 20 5 EDBDHN CN(C)CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000519915394 448863611 /nfs/dbraw/zinc/86/36/11/448863611.db2.gz SDZRZTLOHSGONG-UHFFFAOYSA-N 0 3 346.387 1.804 20 5 EDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000593567704 449077147 /nfs/dbraw/zinc/07/71/47/449077147.db2.gz QZNHOXLPPGNVFV-YPMHNXCESA-N 0 3 340.405 1.095 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000590012330 449096227 /nfs/dbraw/zinc/09/62/27/449096227.db2.gz RDVYURBWYKIDIO-HZMBPMFUSA-N 0 3 338.795 1.823 20 5 EDBDHN C[C@H](C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599938073 449116863 /nfs/dbraw/zinc/11/68/63/449116863.db2.gz LPZKQLFRYTWTAS-VBNZEHGJSA-N 0 3 333.388 1.366 20 5 EDBDHN CN(C)C1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC000600030339 449153596 /nfs/dbraw/zinc/15/35/96/449153596.db2.gz SJCZYGHVLZFYIF-UHFFFAOYSA-N 0 3 347.350 1.744 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590442344 449163952 /nfs/dbraw/zinc/16/39/52/449163952.db2.gz FMOSZNOYPALVDQ-CJNGLKHVSA-N 0 3 341.371 1.557 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)[C@H]2C1 ZINC000590443442 449164509 /nfs/dbraw/zinc/16/45/09/449164509.db2.gz ISMQITGYKGAHHL-ABAIWWIYSA-N 0 3 326.356 1.919 20 5 EDBDHN CC(C)[NH+](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000593556066 449347095 /nfs/dbraw/zinc/34/70/95/449347095.db2.gz JBVJRCOOGXZRRF-UHFFFAOYSA-N 0 3 344.437 1.777 20 5 EDBDHN CC(C)(C(=O)N[C@@H]1CCCN2CCCC[C@H]12)n1cc([N+](=O)[O-])cn1 ZINC000594195134 449387230 /nfs/dbraw/zinc/38/72/30/449387230.db2.gz CFMUTZKDLULGAQ-ZIAGYGMSSA-N 0 3 335.408 1.660 20 5 EDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000598536812 449452929 /nfs/dbraw/zinc/45/29/29/449452929.db2.gz XZRFHAYFUFBRLL-LBPRGKRZSA-N 0 3 337.376 1.903 20 5 EDBDHN CSc1cccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000594359022 449466406 /nfs/dbraw/zinc/46/64/06/449466406.db2.gz FOJLWXHMDVPINW-QWRGUYRKSA-N 0 3 325.390 1.064 20 5 EDBDHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000600662254 449478929 /nfs/dbraw/zinc/47/89/29/449478929.db2.gz IIAPZWWPCBPKBB-AEGPPILISA-N 0 3 336.392 1.637 20 5 EDBDHN CCC(C)(C)N1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000594390699 449488289 /nfs/dbraw/zinc/48/82/89/449488289.db2.gz YQDRCSFMHLAMIT-UHFFFAOYSA-N 0 3 337.424 1.823 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596422583 449494519 /nfs/dbraw/zinc/49/45/19/449494519.db2.gz FRMXBAXPHHVVAC-CQSZACIVSA-N 0 3 331.376 1.507 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000600778219 449544527 /nfs/dbraw/zinc/54/45/27/449544527.db2.gz WURQSCGSLGZSHA-UHFFFAOYSA-N 0 3 333.348 1.238 20 5 EDBDHN O=[N+]([O-])c1cnccc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596422793 449495844 /nfs/dbraw/zinc/49/58/44/449495844.db2.gz GKPYOZQVVZUJRE-HNNXBMFYSA-N 0 3 328.372 1.590 20 5 EDBDHN C[C@]12COC[C@@H]1CN([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000594659536 449613178 /nfs/dbraw/zinc/61/31/78/449613178.db2.gz DMOAHMQYLZPGBW-KHIZAZIESA-N 0 3 345.355 1.195 20 5 EDBDHN CN1CC[C@@](O)(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602612767 449705062 /nfs/dbraw/zinc/70/50/62/449705062.db2.gz QOGRUTYUBZJVSD-CYBMUJFWSA-N 0 3 333.310 1.770 20 5 EDBDHN C[C@@H](CNc1ccnc2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000601111263 449694670 /nfs/dbraw/zinc/69/46/70/449694670.db2.gz PWDGYKQLTFJDKZ-ZDUSSCGKSA-N 0 3 329.404 1.613 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000602763493 449789137 /nfs/dbraw/zinc/78/91/37/449789137.db2.gz OYRFIUOXIAXQSR-HNNXBMFYSA-N 0 3 337.424 1.286 20 5 EDBDHN CC[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601328775 449836531 /nfs/dbraw/zinc/83/65/31/449836531.db2.gz YVMXRGFXXOUZNQ-LLVKDONJSA-N 0 3 347.462 1.975 20 5 EDBDHN CC[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601328775 449836534 /nfs/dbraw/zinc/83/65/34/449836534.db2.gz YVMXRGFXXOUZNQ-LLVKDONJSA-N 0 3 347.462 1.975 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@]1(CO)CCCc2ccccc21 ZINC000602826910 449838871 /nfs/dbraw/zinc/83/88/71/449838871.db2.gz ORRQNUOFIUGYDE-KRWDZBQOSA-N 0 3 330.388 1.913 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCc2c(nnn2C)C1 ZINC000595047270 449849267 /nfs/dbraw/zinc/84/92/67/449849267.db2.gz QKALTGUZIJLQOQ-GHMZBOCLSA-N 0 3 331.376 1.940 20 5 EDBDHN COCc1nnc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[n-]1 ZINC000595064741 449852189 /nfs/dbraw/zinc/85/21/89/449852189.db2.gz AWJDWDXXDATKSY-CYBMUJFWSA-N 0 3 331.376 1.970 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595192463 449935276 /nfs/dbraw/zinc/93/52/76/449935276.db2.gz IHMZTSNBBRXVJT-GFCCVEGCSA-N 0 3 334.376 1.442 20 5 EDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CC2CC2)C1 ZINC000609399576 450023331 /nfs/dbraw/zinc/02/33/31/450023331.db2.gz ICQSEIXOQWWGHZ-HNNXBMFYSA-N 0 3 347.419 1.790 20 5 EDBDHN O=C(N[C@H](CO)CN1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000603053858 450038030 /nfs/dbraw/zinc/03/80/30/450038030.db2.gz UBODAGPNHIWPLK-HNNXBMFYSA-N 0 3 347.415 1.589 20 5 EDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599626435 450113341 /nfs/dbraw/zinc/11/33/41/450113341.db2.gz VWPYAWKRRVKDGX-OHTBPHCPSA-N 0 3 342.417 1.770 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599627296 450113734 /nfs/dbraw/zinc/11/37/34/450113734.db2.gz WVRNLLYLGKGQRJ-YPIXOSSWSA-N 0 3 337.376 1.943 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599635937 450118524 /nfs/dbraw/zinc/11/85/24/450118524.db2.gz MHZVLMILVOVXSC-JLJPHGGASA-N 0 3 336.388 1.429 20 5 EDBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)c(C)cc1[N+](=O)[O-] ZINC000603312466 450237497 /nfs/dbraw/zinc/23/74/97/450237497.db2.gz FGEHYEONOZPHIZ-CHWSQXEVSA-N 0 3 341.433 1.973 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000725899032 578302958 /nfs/dbraw/zinc/30/29/58/578302958.db2.gz ZJEHXBCGVJXYIT-QWHCGFSZSA-N 0 3 344.371 1.669 20 5 EDBDHN COCCN1CCC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000729984290 578605992 /nfs/dbraw/zinc/60/59/92/578605992.db2.gz YYCPTLGEEGZSMV-PPYMECGQSA-N 0 3 333.388 1.835 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000733167956 578745688 /nfs/dbraw/zinc/74/56/88/578745688.db2.gz BFTWQESIIOUEAM-AWEZNQCLSA-N 0 3 348.403 1.255 20 5 EDBDHN CN(C)[C@H]1CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000738142644 579163575 /nfs/dbraw/zinc/16/35/75/579163575.db2.gz GFLWWSXNHPROKR-LBPRGKRZSA-N 0 3 332.360 1.174 20 5 EDBDHN COC(=O)C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000754513597 579904944 /nfs/dbraw/zinc/90/49/44/579904944.db2.gz GKGHFHYLQNHSCT-AWEZNQCLSA-N 0 3 335.360 1.773 20 5 EDBDHN Cn1cc(C[C@@H]2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000776591274 580423034 /nfs/dbraw/zinc/42/30/34/580423034.db2.gz IRSMELSFZHNFTK-GUYCJALGSA-N 0 3 330.388 1.926 20 5 EDBDHN Nc1nccc([C@@H]2CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000801551087 581079485 /nfs/dbraw/zinc/07/94/85/581079485.db2.gz MQWYFWOZHCWICJ-CJNGLKHVSA-N 0 3 343.387 1.880 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000898068772 591775892 /nfs/dbraw/zinc/77/58/92/591775892.db2.gz RCPLSALNECUTKJ-VYDXJSESSA-N 0 3 335.404 1.517 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000897222533 591776009 /nfs/dbraw/zinc/77/60/09/591776009.db2.gz VOKKBXRMNWUTDL-KBPBESRZSA-N 0 3 349.387 1.417 20 5 EDBDHN CN(C)CCn1nccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000900157963 591920176 /nfs/dbraw/zinc/92/01/76/591920176.db2.gz QQIXMSSFTJSOMW-UHFFFAOYSA-N 0 3 331.376 1.625 20 5 EDBDHN CN(C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C1CCN(C)CC1 ZINC000905027159 592385770 /nfs/dbraw/zinc/38/57/70/592385770.db2.gz DPZJHIDQRXQKNF-UHFFFAOYSA-N 0 3 349.387 1.922 20 5 EDBDHN C[C@@H]1C[C@]2(CC[C@H](CNC[C@H](O)c3cccc([N+](=O)[O-])c3)O2)CO1 ZINC000905484162 592539525 /nfs/dbraw/zinc/53/95/25/592539525.db2.gz GYTMGPNFIKPSAX-VDNDLQMASA-N 0 3 336.388 1.944 20 5 EDBDHN O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CCN2CCC[C@@H]2C1 ZINC000906594111 592860584 /nfs/dbraw/zinc/86/05/84/592860584.db2.gz HJCHPXLYSKLQMM-GFCCVEGCSA-N 0 3 347.371 1.676 20 5 EDBDHN CN(C)[C@H]1CCCN(CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840001914 593330856 /nfs/dbraw/zinc/33/08/56/593330856.db2.gz FHHPCMWOEFFUKY-WMLDXEAASA-N 0 3 348.403 1.516 20 5 EDBDHN COC(=O)C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754539522 593330846 /nfs/dbraw/zinc/33/08/46/593330846.db2.gz OYQSRDILWAQWQQ-AWEZNQCLSA-N 0 3 335.360 1.489 20 5 EDBDHN CC(COC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813102936 593517593 /nfs/dbraw/zinc/51/75/93/593517593.db2.gz WLYCZNODLHRLBJ-VIFPVBQESA-N 0 3 334.284 1.935 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104838 593517803 /nfs/dbraw/zinc/51/78/03/593517803.db2.gz SFSDTGSBTGGPDA-JTQLQIEISA-N 0 3 342.373 1.258 20 5 EDBDHN COc1cccc(/C=C(\C(=O)OCC(C)[N+](=O)[O-])n2nnnc2C)c1 ZINC000813105056 593517959 /nfs/dbraw/zinc/51/79/59/593517959.db2.gz JKYFUVRYIJHQKK-CEITULEQSA-N 0 3 347.331 1.197 20 5 EDBDHN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813115365 593518816 /nfs/dbraw/zinc/51/88/16/593518816.db2.gz QCDVFZYMEKEJHS-QWRGUYRKSA-N 0 3 344.389 1.585 20 5 EDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(S(=O)(=O)N(C)C)c1C ZINC000813113592 593518841 /nfs/dbraw/zinc/51/88/41/593518841.db2.gz GSWBFIOIYILEJP-SNVBAGLBSA-N 0 3 344.389 1.376 20 5 EDBDHN CC(COC(=O)CCC(=O)N1CCc2sccc2C1)[N+](=O)[O-] ZINC000813113618 593518852 /nfs/dbraw/zinc/51/88/52/593518852.db2.gz HEDRPHSEASITDX-SNVBAGLBSA-N 0 3 326.374 1.621 20 5 EDBDHN Cc1c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000816948633 593562227 /nfs/dbraw/zinc/56/22/27/593562227.db2.gz BOWDDHREYARWHQ-HZMBPMFUSA-N 0 3 334.332 1.588 20 5 EDBDHN CN(C[C@@H]1CCCN1C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000817374100 593598242 /nfs/dbraw/zinc/59/82/42/593598242.db2.gz HFUJBNVVKNIVKF-WMLDXEAASA-N 0 3 348.403 1.516 20 5 EDBDHN CC(COC(=O)c1cn2c(Br)cnc2s1)[N+](=O)[O-] ZINC000816091143 593673438 /nfs/dbraw/zinc/67/34/38/593673438.db2.gz MDVRUFSENYLZKV-YFKPBYRVSA-N 0 3 334.151 1.980 20 5 EDBDHN CC(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820127499 593793194 /nfs/dbraw/zinc/79/31/94/593793194.db2.gz IWPBZYBXWWXYFP-UHFFFAOYSA-N 0 3 332.368 1.455 20 5 EDBDHN CC(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000820127499 593793195 /nfs/dbraw/zinc/79/31/95/593793195.db2.gz IWPBZYBXWWXYFP-UHFFFAOYSA-N 0 3 332.368 1.455 20 5 EDBDHN CN1CCC(N(CCO)C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824157856 593940722 /nfs/dbraw/zinc/94/07/22/593940722.db2.gz KHCAGWJPXZRHDL-IRXDYDNUSA-N 0 3 347.415 1.613 20 5 EDBDHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821001189 593942418 /nfs/dbraw/zinc/94/24/18/593942418.db2.gz PSIVURWIUZPFCP-WCQYABFASA-N 0 3 343.391 1.838 20 5 EDBDHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821001189 593942419 /nfs/dbraw/zinc/94/24/19/593942419.db2.gz PSIVURWIUZPFCP-WCQYABFASA-N 0 3 343.391 1.838 20 5 EDBDHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821001189 593942421 /nfs/dbraw/zinc/94/24/21/593942421.db2.gz PSIVURWIUZPFCP-WCQYABFASA-N 0 3 343.391 1.838 20 5 EDBDHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821001189 593942422 /nfs/dbraw/zinc/94/24/22/593942422.db2.gz PSIVURWIUZPFCP-WCQYABFASA-N 0 3 343.391 1.838 20 5 EDBDHN C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824377756 593997781 /nfs/dbraw/zinc/99/77/81/593997781.db2.gz MKFQXIQOEJEOCX-LLVKDONJSA-N 0 3 345.407 1.941 20 5 EDBDHN C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824377756 593997783 /nfs/dbraw/zinc/99/77/83/593997783.db2.gz MKFQXIQOEJEOCX-LLVKDONJSA-N 0 3 345.407 1.941 20 5 EDBDHN C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000825466932 594189688 /nfs/dbraw/zinc/18/96/88/594189688.db2.gz KGPMCCFFIRMPRE-XJKSGUPXSA-N 0 3 335.404 1.865 20 5 EDBDHN CS[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000828372709 594404010 /nfs/dbraw/zinc/40/40/10/594404010.db2.gz LBBHRDFKNHQCID-CHWSQXEVSA-N 0 3 329.466 1.860 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826677885 594553004 /nfs/dbraw/zinc/55/30/04/594553004.db2.gz RKTTXYZWVQTWQO-SNVBAGLBSA-N 0 3 337.336 1.059 20 5 EDBDHN CCO[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])CN(C)C ZINC000831708347 594694714 /nfs/dbraw/zinc/69/47/14/594694714.db2.gz RHCQIFSKTLZDST-CYBMUJFWSA-N 0 3 327.356 1.359 20 5 EDBDHN CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1OC)CN(C)C ZINC000831724552 594696514 /nfs/dbraw/zinc/69/65/14/594696514.db2.gz PAMVNPXUSBUAEU-GFCCVEGCSA-N 0 3 325.365 1.300 20 5 EDBDHN CNC(=O)NCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879289 595086233 /nfs/dbraw/zinc/08/62/33/595086233.db2.gz IMLRMGIDOYLTLO-RNCFNFMXSA-N 0 3 327.312 1.394 20 5 EDBDHN CCCC(=O)NCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845880537 595086963 /nfs/dbraw/zinc/08/69/63/595086963.db2.gz ZYNWRNPYTFTSQT-BONVTDFDSA-N 0 3 326.324 1.992 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000834353691 595100876 /nfs/dbraw/zinc/10/08/76/595100876.db2.gz MLIPBIFZATWVOA-DLBZAZTESA-N 0 3 334.347 1.961 20 5 EDBDHN CN(CCOC(=O)Cn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000837479471 595120704 /nfs/dbraw/zinc/12/07/04/595120704.db2.gz CBAHHEQHAGRBAA-UHFFFAOYSA-N 0 3 345.355 1.432 20 5 EDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000843779038 595183941 /nfs/dbraw/zinc/18/39/41/595183941.db2.gz NOWYSJBOPJMDGT-NWDGAFQWSA-N 0 3 337.351 1.635 20 5 EDBDHN CN1CCCC[C@H]1CN[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000846701369 595304016 /nfs/dbraw/zinc/30/40/16/595304016.db2.gz FAXZLYBAJXPDJM-GJZGRUSLSA-N 0 3 346.387 1.301 20 5 EDBDHN O=C(OCCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000848774772 595444881 /nfs/dbraw/zinc/44/48/81/595444881.db2.gz RNRIKDZGLFRPGJ-HNNXBMFYSA-N 0 3 344.371 1.857 20 5 EDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1=NO[C@@H](CN)C1 ZINC000852805946 595550750 /nfs/dbraw/zinc/55/07/50/595550750.db2.gz CNURGGFXKDPGCA-SNVBAGLBSA-N 0 3 326.740 1.310 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCC1SCCS1 ZINC000853118997 595671365 /nfs/dbraw/zinc/67/13/65/595671365.db2.gz BIELDHILLYHHDX-JTQLQIEISA-N 0 3 330.431 1.730 20 5 EDBDHN CN(CC1CN(C)C1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853555453 595799320 /nfs/dbraw/zinc/79/93/20/595799320.db2.gz WJOCJXVLQBDTCE-INIZCTEOSA-N 0 3 332.404 1.362 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000852742566 596237194 /nfs/dbraw/zinc/23/71/94/596237194.db2.gz KZNJYFBPOFQNIG-INIZCTEOSA-N 0 3 332.404 1.238 20 5 EDBDHN COCCN1CCC[C@@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865522206 596599086 /nfs/dbraw/zinc/59/90/86/596599086.db2.gz NTQVPWXNSCGUJQ-GFCCVEGCSA-N 0 3 327.356 1.749 20 5 EDBDHN COCCN1CC[C@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000868283889 596763791 /nfs/dbraw/zinc/76/37/91/596763791.db2.gz JWJKKFLDHFFWBL-AWEZNQCLSA-N 0 3 336.392 1.423 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000872232415 596847128 /nfs/dbraw/zinc/84/71/28/596847128.db2.gz YWMRXLBEPNIFQM-HZPDHXFCSA-N 0 3 336.388 1.804 20 5 EDBDHN COc1ccc(OCCN2CCC3(CCNC3=O)CC2)c([N+](=O)[O-])c1 ZINC000879918182 597763556 /nfs/dbraw/zinc/76/35/56/597763556.db2.gz VIOUADHRBYAWMJ-UHFFFAOYSA-N 0 3 349.387 1.584 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000880582854 597970274 /nfs/dbraw/zinc/97/02/74/597970274.db2.gz SIADTAXCDSZMEU-JKSUJKDBSA-N 0 3 336.388 1.492 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nnn[n-]2)c1 ZINC000738369293 598499142 /nfs/dbraw/zinc/49/91/42/598499142.db2.gz KKVNLHPJAYVYHV-NWDGAFQWSA-N 0 3 330.352 1.209 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c(-c2nnn[n-]2)c1 ZINC000738369293 598499143 /nfs/dbraw/zinc/49/91/43/598499143.db2.gz KKVNLHPJAYVYHV-NWDGAFQWSA-N 0 3 330.352 1.209 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nn[n-]n2)c1 ZINC000738369293 598499144 /nfs/dbraw/zinc/49/91/44/598499144.db2.gz KKVNLHPJAYVYHV-NWDGAFQWSA-N 0 3 330.352 1.209 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c(-c2nn[n-]n2)c1 ZINC000738369293 598499145 /nfs/dbraw/zinc/49/91/45/598499145.db2.gz KKVNLHPJAYVYHV-NWDGAFQWSA-N 0 3 330.352 1.209 20 5 EDBDHN O=[N+]([O-])c1cc(CNCC2(O)CCC3(CC2)OCCO3)cs1 ZINC000922624538 704150534 /nfs/dbraw/zinc/15/05/34/704150534.db2.gz PVLHWJBMMKINRH-UHFFFAOYSA-N 0 3 328.390 1.794 20 5 EDBDHN COc1cc(CN2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccn1 ZINC001005377972 708835702 /nfs/dbraw/zinc/83/57/02/708835702.db2.gz GIXHHRMMLNPLQM-HUUCEWRRSA-N 0 3 348.403 1.178 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)N(C)[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000183678285 235194137 /nfs/dbraw/zinc/19/41/37/235194137.db2.gz WWONSOSHUKGRIW-CQSZACIVSA-N 0 3 348.403 1.186 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000068178741 138192714 /nfs/dbraw/zinc/19/27/14/138192714.db2.gz UZOFMGQWDYOEMD-HNNXBMFYSA-N 0 3 345.403 1.389 20 5 EDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000364983371 283349882 /nfs/dbraw/zinc/34/98/82/283349882.db2.gz YIOIPVJRCOOKNI-CQSZACIVSA-N 0 3 336.367 1.652 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC[C@H]2CCOC2)cc1 ZINC000565888226 306393838 /nfs/dbraw/zinc/39/38/38/306393838.db2.gz IRDPGFVCVAIUNE-ZDUSSCGKSA-N 0 3 342.417 1.775 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C(N)=O)C(C)(C)C ZINC000106444900 204194766 /nfs/dbraw/zinc/19/47/66/204194766.db2.gz QBIAJGJVBWHCBU-AWEZNQCLSA-N 0 3 336.392 1.721 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000156635514 206090993 /nfs/dbraw/zinc/09/09/93/206090993.db2.gz XIXCUWCZWPUFLW-AAEUAGOBSA-N 0 3 329.360 1.568 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000156635514 206090998 /nfs/dbraw/zinc/09/09/98/206090998.db2.gz XIXCUWCZWPUFLW-AAEUAGOBSA-N 0 3 329.360 1.568 20 5 EDBDHN CC[C@@H]1Cc2ccccc2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248624731 139168847 /nfs/dbraw/zinc/16/88/47/139168847.db2.gz OTJGKQDJRLPVFE-NVXWUHKLSA-N 0 3 330.388 1.989 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000262271096 139265345 /nfs/dbraw/zinc/26/53/45/139265345.db2.gz SLYFCVHFBFLESL-LSDHHAIUSA-N 0 3 343.387 1.443 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459800404 255003243 /nfs/dbraw/zinc/00/32/43/255003243.db2.gz ZZSSNXKOSMAXET-JKSUJKDBSA-N 0 3 335.404 1.630 20 5 EDBDHN CC(COC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496344434 255384170 /nfs/dbraw/zinc/38/41/70/255384170.db2.gz NPNGVURBPNHQIM-QMMMGPOBSA-N 0 3 326.296 1.745 20 5 EDBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCCC1 ZINC000269745486 139985107 /nfs/dbraw/zinc/98/51/07/139985107.db2.gz XRXZOGGVFLQNRI-AWEZNQCLSA-N 0 3 348.403 1.233 20 5 EDBDHN COCCCOCCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271603956 140318532 /nfs/dbraw/zinc/31/85/32/140318532.db2.gz UEUXUWQKEAROHU-UHFFFAOYSA-N 0 3 339.392 1.908 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000344731799 143004440 /nfs/dbraw/zinc/00/44/40/143004440.db2.gz HIVPAMSPDMNZFS-CHWSQXEVSA-N 0 3 327.381 1.852 20 5 EDBDHN CCS(=O)(=O)NCCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344849228 143019418 /nfs/dbraw/zinc/01/94/18/143019418.db2.gz HWFYDNWQPKAHEK-XFXZXTDPSA-N 0 3 327.406 1.527 20 5 EDBDHN CO[C@@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000348001203 143389782 /nfs/dbraw/zinc/38/97/82/143389782.db2.gz JNAYYPKGWCJZQK-QWHCGFSZSA-N 0 3 336.392 1.259 20 5 EDBDHN Cc1ccc(CNC[C@H]2CCCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000353082782 149279542 /nfs/dbraw/zinc/27/95/42/149279542.db2.gz GVCGEERBFBTIRZ-CQSZACIVSA-N 0 3 341.433 1.807 20 5 EDBDHN O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1n[n-]cc1[N+](=O)[O-] ZINC000355301605 150205876 /nfs/dbraw/zinc/20/58/76/150205876.db2.gz CYVQPSASGTXNTC-LBPRGKRZSA-N 0 3 331.332 1.137 20 5 EDBDHN O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1n[n-]cc1[N+](=O)[O-] ZINC000355301605 150205877 /nfs/dbraw/zinc/20/58/77/150205877.db2.gz CYVQPSASGTXNTC-LBPRGKRZSA-N 0 3 331.332 1.137 20 5 EDBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000355301605 150205879 /nfs/dbraw/zinc/20/58/79/150205879.db2.gz CYVQPSASGTXNTC-LBPRGKRZSA-N 0 3 331.332 1.137 20 5 EDBDHN COC(=O)COc1ccc(CN(C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000355733015 150379503 /nfs/dbraw/zinc/37/95/03/150379503.db2.gz SBYXZVYAHJKTBF-CYBMUJFWSA-N 0 3 338.360 1.615 20 5 EDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358053914 151249835 /nfs/dbraw/zinc/24/98/35/151249835.db2.gz WPXMZXRMYZXYAZ-HNNXBMFYSA-N 0 3 339.417 1.503 20 5 EDBDHN Cc1cc(NC[C@]2(O)CCN(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358343588 151343744 /nfs/dbraw/zinc/34/37/44/151343744.db2.gz MTJXWVBOLNGJBW-QGZVFWFLSA-N 0 3 343.387 1.261 20 5 EDBDHN CNS(=O)(=O)c1ccc(N[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000361065549 152293934 /nfs/dbraw/zinc/29/39/34/152293934.db2.gz KTRHDMZADZEYJQ-QWRGUYRKSA-N 0 3 342.421 1.398 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000361188793 152330255 /nfs/dbraw/zinc/33/02/55/152330255.db2.gz OXBTVEUTUQBZFU-HALDLXJZSA-N 0 3 341.371 1.038 20 5 EDBDHN Cc1c(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000361277926 152351410 /nfs/dbraw/zinc/35/14/10/152351410.db2.gz HAPLEQWFLUESTH-MRXNPFEDSA-N 0 3 347.415 1.815 20 5 EDBDHN O=C(CNC1CC1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000574226308 306644921 /nfs/dbraw/zinc/64/49/21/306644921.db2.gz ZHVUGQRXKBBRCH-UHFFFAOYSA-N 0 3 346.309 1.894 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364611718 153286229 /nfs/dbraw/zinc/28/62/29/153286229.db2.gz MDKANSHBPLKATH-UHFFFAOYSA-N 0 3 335.404 1.822 20 5 EDBDHN CN(C(=O)CN1CCCC[C@@H]1C(=N)NO)c1ccc([N+](=O)[O-])cc1 ZINC000364771091 153328418 /nfs/dbraw/zinc/32/84/18/153328418.db2.gz QAOKVFZUHJYBAQ-CYBMUJFWSA-N 0 3 335.364 1.368 20 5 EDBDHN COCCN(C)CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080110754 287304809 /nfs/dbraw/zinc/30/48/09/287304809.db2.gz XRAGDAOKUZBMMD-UHFFFAOYSA-N 0 3 338.408 1.707 20 5 EDBDHN [NH3+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000122693146 222139424 /nfs/dbraw/zinc/13/94/24/222139424.db2.gz MKARQUXFLDCLRV-UHFFFAOYSA-N 0 3 327.284 1.241 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]C2)c1C ZINC000123399165 222270130 /nfs/dbraw/zinc/27/01/30/222270130.db2.gz OFQRWNUFIGFURJ-LBPRGKRZSA-N 0 3 327.406 1.490 20 5 EDBDHN CN1CCC(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000273250635 268004116 /nfs/dbraw/zinc/00/41/16/268004116.db2.gz KZTYKNMLFHJOBC-UHFFFAOYSA-N 0 3 346.431 1.975 20 5 EDBDHN C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1=CCN(C)CC1 ZINC000273071592 273027789 /nfs/dbraw/zinc/02/77/89/273027789.db2.gz ZPGMIUYOZDODNO-JTQLQIEISA-N 0 3 333.344 1.704 20 5 EDBDHN CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000284201479 274114759 /nfs/dbraw/zinc/11/47/59/274114759.db2.gz SNBFDPOGTXSHNO-KGLIPLIRSA-N 0 3 340.405 1.980 20 5 EDBDHN Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000284421203 274195661 /nfs/dbraw/zinc/19/56/61/274195661.db2.gz CWNMJJSUPLPMLW-CZUORRHYSA-N 0 3 329.360 1.438 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000284734243 274312496 /nfs/dbraw/zinc/31/24/96/274312496.db2.gz KMFPKJCRUHEERC-HYVNUMGLSA-N 0 3 336.388 1.978 20 5 EDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000286321524 287981787 /nfs/dbraw/zinc/98/17/87/287981787.db2.gz JIFGXGDLZYAHJT-KBPBESRZSA-N 0 3 348.403 1.502 20 5 EDBDHN CCN1CCC(n2nccc2NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000340135178 279262847 /nfs/dbraw/zinc/26/28/47/279262847.db2.gz KFKWLALVLGZYPQ-UHFFFAOYSA-N 0 3 347.379 1.283 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000292251841 289298759 /nfs/dbraw/zinc/29/87/59/289298759.db2.gz KFQWHTOHZBQXCD-QMTHXVAHSA-N 0 3 347.375 1.135 20 5 EDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000331383721 294612321 /nfs/dbraw/zinc/61/23/21/294612321.db2.gz JWKZCPGDLUZOIG-GJZGRUSLSA-N 0 3 348.403 1.624 20 5 EDBDHN COC(=O)c1cnc(N2CCN(C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000294939794 303155585 /nfs/dbraw/zinc/15/55/85/303155585.db2.gz LKZGUIATFVWLDO-LLVKDONJSA-N 0 3 334.376 1.697 20 5 EDBDHN COc1cc(C(=O)NCC2(N(C)C)CCC2)c([N+](=O)[O-])cc1F ZINC000295662998 303249322 /nfs/dbraw/zinc/24/93/22/303249322.db2.gz AOQUGIXSZOTDAH-UHFFFAOYSA-N 0 3 325.340 1.957 20 5 EDBDHN C[C@@H]1C[C@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000296383557 303314512 /nfs/dbraw/zinc/31/45/12/303314512.db2.gz KQBRZYPMTSGEOL-SUNKGSAMSA-N 0 3 343.405 1.029 20 5 EDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCN1CCC(O)CC1 ZINC000304214066 303749983 /nfs/dbraw/zinc/74/99/83/303749983.db2.gz BEUDQDBWUYZZRA-AATRIKPKSA-N 0 3 333.388 1.571 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]2CN(C)C)c1F ZINC000411916651 303934671 /nfs/dbraw/zinc/93/46/71/303934671.db2.gz YTLDFRLGAJHUOJ-NSHDSACASA-N 0 3 339.367 1.838 20 5 EDBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CNCCO1 ZINC000423986216 304922591 /nfs/dbraw/zinc/92/25/91/304922591.db2.gz FLYMCXQLCSSSPR-GXSJLCMTSA-N 0 3 343.767 1.120 20 5 EDBDHN Cn1c(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000424042869 304926204 /nfs/dbraw/zinc/92/62/04/304926204.db2.gz XOBAWWLQXCUHMU-WCQYABFASA-N 0 3 332.335 1.639 20 5 EDBDHN COc1ccc(CNC(=O)C[C@H]2CSCCN2)cc1[N+](=O)[O-] ZINC000434874724 305132011 /nfs/dbraw/zinc/13/20/11/305132011.db2.gz QQYGLXXWIRZGGX-NSHDSACASA-N 0 3 325.390 1.315 20 5 EDBDHN CN(C)C1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000438536848 305186896 /nfs/dbraw/zinc/18/68/96/305186896.db2.gz XCZLWOGJIRUZSI-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000449179532 305309003 /nfs/dbraw/zinc/30/90/03/305309003.db2.gz WCVSRPXQHTWJQF-XJKSGUPXSA-N 0 3 347.415 1.895 20 5 EDBDHN NC(=O)c1ccc(CN[C@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000451612447 305356300 /nfs/dbraw/zinc/35/63/00/305356300.db2.gz QDMYWBOWAAFSFQ-ZBFHGGJFSA-N 0 3 333.388 1.580 20 5 EDBDHN CC[C@@H]1CN(CC)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723725 305364672 /nfs/dbraw/zinc/36/46/72/305364672.db2.gz BCLNQJISTQZKPF-GDBMZVCRSA-N 0 3 337.420 1.751 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000493593040 447349534 /nfs/dbraw/zinc/34/95/34/447349534.db2.gz FUJJEUMLEACCNZ-YMPXZSTISA-N 0 3 345.399 1.930 20 5 EDBDHN CNc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000530885815 305948624 /nfs/dbraw/zinc/94/86/24/305948624.db2.gz PCZRETRTAOVSAF-OAHLLOKOSA-N 0 3 338.433 1.804 20 5 EDBDHN Cn1ccnc1[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000536069269 306019380 /nfs/dbraw/zinc/01/93/80/306019380.db2.gz YIIBCZBWZSFOLM-ZFWWWQNUSA-N 0 3 346.387 1.558 20 5 EDBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000554861603 306198788 /nfs/dbraw/zinc/19/87/88/306198788.db2.gz ZYSOUTIPXHJROY-ZDUSSCGKSA-N 0 3 329.360 1.712 20 5 EDBDHN CC(C)(C(=O)NCCNc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000449816498 447395899 /nfs/dbraw/zinc/39/58/99/447395899.db2.gz XRGJYOIQYZBDHT-UHFFFAOYSA-N 0 3 328.372 1.918 20 5 EDBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@H]1CCCN(CCCO)C1 ZINC000493810883 447400512 /nfs/dbraw/zinc/40/05/12/447400512.db2.gz ALPNGQNQTXKUAP-CDNLZTBQSA-N 0 3 333.388 1.571 20 5 EDBDHN Cc1ccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008372932 441090844 /nfs/dbraw/zinc/09/08/44/441090844.db2.gz BFSXXJCKONSWOU-UHFFFAOYSA-N 0 3 349.412 1.971 20 5 EDBDHN C[C@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(C)C1CC1 ZINC000073075190 441290979 /nfs/dbraw/zinc/29/09/79/441290979.db2.gz QFUCYMYMGUMBHH-LLVKDONJSA-N 0 3 349.387 1.507 20 5 EDBDHN CC(C)[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N(C)C ZINC000106425965 441342875 /nfs/dbraw/zinc/34/28/75/441342875.db2.gz ASTDNGHSKAULBB-MRXNPFEDSA-N 0 3 334.420 1.830 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000108328577 441444049 /nfs/dbraw/zinc/44/40/49/441444049.db2.gz VVFKOMKSMVKJBO-ZDUSSCGKSA-N 0 3 343.387 1.852 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2COc2ccccc2)c1 ZINC000075742083 441554034 /nfs/dbraw/zinc/55/40/34/441554034.db2.gz XTXFXRZJPBTPIS-ZBFHGGJFSA-N 0 3 346.387 1.696 20 5 EDBDHN CCN1CCN(CCCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000041621019 441664754 /nfs/dbraw/zinc/66/47/54/441664754.db2.gz PQABGQLJZJJKFL-UHFFFAOYSA-N 0 3 338.437 1.744 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000067864850 441690186 /nfs/dbraw/zinc/69/01/86/441690186.db2.gz DPGKOOVHCBDLID-AAEUAGOBSA-N 0 3 346.387 1.066 20 5 EDBDHN CCc1ccc(C(=O)NC[C@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000174191839 441900623 /nfs/dbraw/zinc/90/06/23/441900623.db2.gz HADWTLIABIIOKK-OAHLLOKOSA-N 0 3 335.404 1.998 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000160467241 441885755 /nfs/dbraw/zinc/88/57/55/441885755.db2.gz HBQHOXNRKNUBIO-CQSZACIVSA-N 0 3 341.795 1.825 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000174184617 441899722 /nfs/dbraw/zinc/89/97/22/441899722.db2.gz ILUPUMHHZFDNAP-DZGCQCFKSA-N 0 3 348.403 1.982 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000154453169 442340137 /nfs/dbraw/zinc/34/01/37/442340137.db2.gz ODGZPZYZIXTEMI-GFCCVEGCSA-N 0 3 334.376 1.252 20 5 EDBDHN CCC(=O)N[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000130620637 442351598 /nfs/dbraw/zinc/35/15/98/442351598.db2.gz GDPMTEZYRHOMRL-ZDUSSCGKSA-N 0 3 348.403 1.914 20 5 EDBDHN Cn1cc(CN2CCC[C@H](C(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155009355 442370449 /nfs/dbraw/zinc/37/04/49/442370449.db2.gz GUMQDDRLPGAREY-ZDUSSCGKSA-N 0 3 343.387 1.693 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000172048293 442404043 /nfs/dbraw/zinc/40/40/43/442404043.db2.gz MPDJXXUWNRLJNA-AHICOJMPSA-N 0 3 336.388 1.427 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H](N3CCCC3)C2)n1 ZINC000191605500 442474894 /nfs/dbraw/zinc/47/48/94/442474894.db2.gz CPECBOHJNZPQRU-CYBMUJFWSA-N 0 3 335.408 1.902 20 5 EDBDHN O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)CNC2 ZINC000188687580 442789027 /nfs/dbraw/zinc/78/90/27/442789027.db2.gz LIGUDRXSARDQIY-UHFFFAOYSA-N 0 3 327.340 1.893 20 5 EDBDHN C[C@H]1CCNC(=O)[C@@H]1NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000193647554 442763665 /nfs/dbraw/zinc/76/36/65/442763665.db2.gz KTVUDWMMTTWUSJ-MEDUHNTESA-N 0 3 344.371 1.907 20 5 EDBDHN COc1cc(OCC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268177637 442885327 /nfs/dbraw/zinc/88/53/27/442885327.db2.gz KWJUSRXKMHKDDL-SMDDNHRTSA-N 0 3 349.387 1.581 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000268299195 442937993 /nfs/dbraw/zinc/93/79/93/442937993.db2.gz WMUQMOAHZUPMSP-JOYOIKCWSA-N 0 3 331.369 1.305 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000265931390 442973964 /nfs/dbraw/zinc/97/39/64/442973964.db2.gz AMCRTYBBTZLBCK-OAHLLOKOSA-N 0 3 335.404 1.661 20 5 EDBDHN CCN1CCC[C@@H]1CN(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184618983 443049657 /nfs/dbraw/zinc/04/96/57/443049657.db2.gz AYDAWYUFZAFPJE-CQSZACIVSA-N 0 3 341.433 1.841 20 5 EDBDHN CCS(=O)(=O)N1CC(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000190686354 443163894 /nfs/dbraw/zinc/16/38/94/443163894.db2.gz IGCYUDDAGRDXFC-NSHDSACASA-N 0 3 327.406 1.527 20 5 EDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000268956767 443158877 /nfs/dbraw/zinc/15/88/77/443158877.db2.gz DOPJPXCPLNWVGX-PBHICJAKSA-N 0 3 346.431 1.894 20 5 EDBDHN Cc1cc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)ccc1[N+](=O)[O-] ZINC000411245609 319173607 /nfs/dbraw/zinc/17/36/07/319173607.db2.gz PHBNIAVZKUEKAJ-CQSZACIVSA-N 0 3 334.376 1.298 20 5 EDBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCN1C[C@H](C)O ZINC000264788948 443425934 /nfs/dbraw/zinc/42/59/34/443425934.db2.gz RWOVWOKLEHYABB-QWRGUYRKSA-N 0 3 335.364 1.412 20 5 EDBDHN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN2CCC[C@H]2C1 ZINC000283399936 443623412 /nfs/dbraw/zinc/62/34/12/443623412.db2.gz FINZEHWGBDTQNM-AWEZNQCLSA-N 0 3 328.376 1.675 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)C(C)(C)C1 ZINC000279778518 443626891 /nfs/dbraw/zinc/62/68/91/443626891.db2.gz NMECKZCVGGQBCS-CQSZACIVSA-N 0 3 337.376 1.635 20 5 EDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000440073348 320061414 /nfs/dbraw/zinc/06/14/14/320061414.db2.gz DTDJVOVSCDWELP-LLVKDONJSA-N 0 3 345.421 1.612 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000492783979 320386180 /nfs/dbraw/zinc/38/61/80/320386180.db2.gz RTBPRUORDYJWCB-CFSAUIFESA-N 0 3 349.362 1.679 20 5 EDBDHN CC(C)c1n[n-]c(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000276469273 443716601 /nfs/dbraw/zinc/71/66/01/443716601.db2.gz YVGSSYMEMMATEP-SNVBAGLBSA-N 0 3 332.364 1.630 20 5 EDBDHN CN(C(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000281234221 443855435 /nfs/dbraw/zinc/85/54/35/443855435.db2.gz UFRLUCCGVLMKIY-CQSZACIVSA-N 0 3 343.387 1.776 20 5 EDBDHN CN1CCN(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000281609404 443957885 /nfs/dbraw/zinc/95/78/85/443957885.db2.gz IZUOSMFEWXCSAK-UHFFFAOYSA-N 0 3 332.408 1.909 20 5 EDBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277666722 444023076 /nfs/dbraw/zinc/02/30/76/444023076.db2.gz XCSIEEJFGAKTQH-UHFFFAOYSA-N 0 3 337.376 1.444 20 5 EDBDHN C[C@H]1CCN(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000565190148 321176022 /nfs/dbraw/zinc/17/60/22/321176022.db2.gz UXUOYBTXBIWMGV-STQMWFEESA-N 0 3 333.392 1.344 20 5 EDBDHN C[C@H](C(=O)NC[C@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000565698550 321198252 /nfs/dbraw/zinc/19/82/52/321198252.db2.gz HDETZQFIPANSQT-XJKSGUPXSA-N 0 3 335.404 1.661 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000568970666 321312633 /nfs/dbraw/zinc/31/26/33/321312633.db2.gz AASADZRUQSYCPH-QGZVFWFLSA-N 0 3 349.387 1.180 20 5 EDBDHN CN1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000301261542 444158372 /nfs/dbraw/zinc/15/83/72/444158372.db2.gz GJXUWQSWQMVYAJ-GFCCVEGCSA-N 0 3 339.827 1.859 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302160682 444206739 /nfs/dbraw/zinc/20/67/39/444206739.db2.gz GXUKZQVALDRGIV-DGCLKSJQSA-N 0 3 328.376 1.899 20 5 EDBDHN CN(C)C1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000301769846 444189803 /nfs/dbraw/zinc/18/98/03/444189803.db2.gz DASSXWULEYZTLQ-UHFFFAOYSA-N 0 3 327.406 1.529 20 5 EDBDHN C[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000305759235 444278372 /nfs/dbraw/zinc/27/83/72/444278372.db2.gz IADAAQHREOSWCR-SMDDNHRTSA-N 0 3 335.360 1.596 20 5 EDBDHN Cc1n[n-]c(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000290454285 444282563 /nfs/dbraw/zinc/28/25/63/444282563.db2.gz DUCAWVMYJTXELB-UHFFFAOYSA-N 0 3 344.375 1.860 20 5 EDBDHN CN1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1(C)C ZINC000337714059 444369034 /nfs/dbraw/zinc/36/90/34/444369034.db2.gz GKQZQVXZGRIBHV-UHFFFAOYSA-N 0 3 338.383 1.490 20 5 EDBDHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000578482952 321780779 /nfs/dbraw/zinc/78/07/79/321780779.db2.gz YNLJMRIJERMODP-YNEHKIRRSA-N 0 3 344.437 1.688 20 5 EDBDHN CN(C)C[C@@H]1CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331166128 444427135 /nfs/dbraw/zinc/42/71/35/444427135.db2.gz YEMMXPUCSUWZRH-JTQLQIEISA-N 0 3 327.331 1.968 20 5 EDBDHN CN(C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000340554393 444437098 /nfs/dbraw/zinc/43/70/98/444437098.db2.gz RNZFCVGVOTVMLH-UHFFFAOYSA-N 0 3 346.387 1.804 20 5 EDBDHN Cc1nnc(CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000579701859 321963035 /nfs/dbraw/zinc/96/30/35/321963035.db2.gz JHSTVGQYNHQHKH-UHFFFAOYSA-N 0 3 335.389 1.916 20 5 EDBDHN COCCCN(C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340701355 444483730 /nfs/dbraw/zinc/48/37/30/444483730.db2.gz NRXZNGHYSSFXDK-UHFFFAOYSA-N 0 3 337.420 1.957 20 5 EDBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338237087 444580251 /nfs/dbraw/zinc/58/02/51/444580251.db2.gz RGQLZAVKEJPWQY-LBPRGKRZSA-N 0 3 327.406 1.308 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2C[C@H](OC)CN2C)c1 ZINC000343880342 444643081 /nfs/dbraw/zinc/64/30/81/444643081.db2.gz QWHFXPUXXNVIBH-STQMWFEESA-N 0 3 337.376 1.537 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000342760419 444853196 /nfs/dbraw/zinc/85/31/96/444853196.db2.gz ZRKAPAYXQDTDRS-KBPBESRZSA-N 0 3 346.387 1.937 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000344496113 445011257 /nfs/dbraw/zinc/01/12/57/445011257.db2.gz LFGSIVICPTZFSD-HIFRSBDPSA-N 0 3 337.376 1.151 20 5 EDBDHN CN1CC=C(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000343258817 445164590 /nfs/dbraw/zinc/16/45/90/445164590.db2.gz WJFZOEZNFOKOSR-UHFFFAOYSA-N 0 3 328.372 1.928 20 5 EDBDHN NC(=O)C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343518911 445237482 /nfs/dbraw/zinc/23/74/82/445237482.db2.gz CBFJSHLRCQLPLS-STQMWFEESA-N 0 3 337.376 1.064 20 5 EDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343579383 445249440 /nfs/dbraw/zinc/24/94/40/445249440.db2.gz KONWAZAYSBQKSG-BETUJISGSA-N 0 3 336.392 1.136 20 5 EDBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(F)cc1 ZINC000360208070 445629057 /nfs/dbraw/zinc/62/90/57/445629057.db2.gz JMQWAZJMDUTEKY-CQSZACIVSA-N 0 3 347.350 1.744 20 5 EDBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc([N+](=O)[O-])c1OC ZINC000356160553 445655031 /nfs/dbraw/zinc/65/50/31/445655031.db2.gz HTFABWJFHARUPS-CYBMUJFWSA-N 0 3 349.387 1.921 20 5 EDBDHN CN1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000363218043 445726204 /nfs/dbraw/zinc/72/62/04/445726204.db2.gz FAGAWTQTBGQIPM-LBPRGKRZSA-N 0 3 338.433 1.508 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000353772689 445748264 /nfs/dbraw/zinc/74/82/64/445748264.db2.gz WBLVYZXCXIETMX-GHMZBOCLSA-N 0 3 326.349 1.253 20 5 EDBDHN C[C@@H]1C[C@@H](c2cccnc2)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000358790371 445776231 /nfs/dbraw/zinc/77/62/31/445776231.db2.gz JMBPVOWXZUPXRR-KCXAZCMYSA-N 0 3 331.376 1.630 20 5 EDBDHN Cc1c(CC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000361702074 445885426 /nfs/dbraw/zinc/88/54/26/445885426.db2.gz UFKVFDDOYWRHEY-HUUCEWRRSA-N 0 3 333.388 1.425 20 5 EDBDHN Cc1cc(N2CCN(C3CCN(C)CC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000364381099 445916600 /nfs/dbraw/zinc/91/66/00/445916600.db2.gz IXYPNGSMEJCGIU-CQSZACIVSA-N 0 3 333.436 1.903 20 5 EDBDHN CCc1n[n-]c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2CC)c1[N+](=O)[O-] ZINC000373072602 446008128 /nfs/dbraw/zinc/00/81/28/446008128.db2.gz YGSQDPNFFORLFK-LLVKDONJSA-N 0 3 346.391 1.944 20 5 EDBDHN CN1CC[C@]2(CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000583600462 326101070 /nfs/dbraw/zinc/10/10/70/326101070.db2.gz ISINEQGKBKTMGN-KRWDZBQOSA-N 0 3 348.403 1.711 20 5 EDBDHN CCN(CC)C[C@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351495418 446099418 /nfs/dbraw/zinc/09/94/18/446099418.db2.gz PQAORYHVJIQRJD-JTQLQIEISA-N 0 3 340.355 1.519 20 5 EDBDHN Cc1cc([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000365395158 446185912 /nfs/dbraw/zinc/18/59/12/446185912.db2.gz SYHLLFIQVZVRER-OCCSQVGLSA-N 0 3 334.380 1.063 20 5 EDBDHN Cc1cc([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC000365395158 446185916 /nfs/dbraw/zinc/18/59/16/446185916.db2.gz SYHLLFIQVZVRER-OCCSQVGLSA-N 0 3 334.380 1.063 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000370366054 446248904 /nfs/dbraw/zinc/24/89/04/446248904.db2.gz IRVFJKTXYNXQMS-GOEBONIOSA-N 0 3 332.404 1.873 20 5 EDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000370425713 446272720 /nfs/dbraw/zinc/27/27/20/446272720.db2.gz UHWIZARCJYFGLW-KRWDZBQOSA-N 0 3 346.431 1.835 20 5 EDBDHN O=[N+]([O-])c1ccccc1CNC[C@]1(N2CCOCC2)CCCOC1 ZINC000370556600 446331589 /nfs/dbraw/zinc/33/15/89/446331589.db2.gz LJLZWNVHNKNZNN-QGZVFWFLSA-N 0 3 335.404 1.566 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000370582036 446342357 /nfs/dbraw/zinc/34/23/57/446342357.db2.gz IAPKQAJHFOOJFV-CYBMUJFWSA-N 0 3 342.355 1.959 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCC[C@H]2Cn2ccnn2)c1 ZINC000370706406 446395228 /nfs/dbraw/zinc/39/52/28/446395228.db2.gz BESFOPQQZXPPQU-JKSUJKDBSA-N 0 3 331.376 1.774 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000411251540 446445075 /nfs/dbraw/zinc/44/50/75/446445075.db2.gz IBGXKIOBFDZJHD-CHWSQXEVSA-N 0 3 348.403 1.749 20 5 EDBDHN NCc1cn([C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000420390777 446567636 /nfs/dbraw/zinc/56/76/36/446567636.db2.gz ZWCWUFLKOHROME-AWEZNQCLSA-N 0 3 346.391 1.361 20 5 EDBDHN O=C(CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000375405623 446778190 /nfs/dbraw/zinc/77/81/90/446778190.db2.gz RUBAQACVPXYXFS-AWEZNQCLSA-N 0 3 335.408 1.877 20 5 EDBDHN CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372478035 447074737 /nfs/dbraw/zinc/07/47/37/447074737.db2.gz NBJIGUKLCSMQBB-HIFRSBDPSA-N 0 3 335.408 1.829 20 5 EDBDHN CCN1CC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000413485815 447197645 /nfs/dbraw/zinc/19/76/45/447197645.db2.gz IHEITGBHRMOJBU-JTQLQIEISA-N 0 3 332.364 1.365 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421701858 447222987 /nfs/dbraw/zinc/22/29/87/447222987.db2.gz IPCRBZWMVDTADE-OAHLLOKOSA-N 0 3 343.387 1.947 20 5 EDBDHN CNc1nc(C(=O)NC[C@@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000456036877 447287670 /nfs/dbraw/zinc/28/76/70/447287670.db2.gz KNMRDPLDTDIFNN-LBPRGKRZSA-N 0 3 333.392 1.778 20 5 EDBDHN Cc1nc(NC2CCN(CCC(=O)N(C)C)CC2)ncc1[N+](=O)[O-] ZINC000450330127 447457701 /nfs/dbraw/zinc/45/77/01/447457701.db2.gz SKNXDWQCEXUUKH-UHFFFAOYSA-N 0 3 336.396 1.048 20 5 EDBDHN CN1CC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450797095 447580770 /nfs/dbraw/zinc/58/07/70/447580770.db2.gz TUUTWOAQQSFJKR-WBMJQRKESA-N 0 3 330.388 1.627 20 5 EDBDHN Cc1ccc(S(=O)(=O)NCC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000416569483 447651807 /nfs/dbraw/zinc/65/18/07/447651807.db2.gz YLGAPPVDDTZYPI-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN COc1cc(N2CCN([C@@H]3CCNC(=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000450892380 447606919 /nfs/dbraw/zinc/60/69/19/447606919.db2.gz NTQBKOWXTAWXMF-ZDUSSCGKSA-N 0 3 348.403 1.394 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@](O)(CO)C3)o2)c1 ZINC000459634615 447727568 /nfs/dbraw/zinc/72/75/68/447727568.db2.gz OOJPUHMQNFGSBE-KRWDZBQOSA-N 0 3 347.371 1.612 20 5 EDBDHN O=[N+]([O-])c1cc(CNC2(CO)CCSCC2)c2c(c1)COCO2 ZINC000459724874 447753606 /nfs/dbraw/zinc/75/36/06/447753606.db2.gz KLVAKPBYMOJXKV-UHFFFAOYSA-N 0 3 340.401 1.809 20 5 EDBDHN O=[N+]([O-])c1ccc(-c2noc(NC[C@H](O)CN3CCCCC3)n2)cc1 ZINC000486967681 447826985 /nfs/dbraw/zinc/82/69/85/447826985.db2.gz NAKQJKWSASHEQK-AWEZNQCLSA-N 0 3 347.375 1.904 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H](O)Cc1ccccc1 ZINC000576040417 447957443 /nfs/dbraw/zinc/95/74/43/447957443.db2.gz FAUJFBZUAFDNLK-JKSUJKDBSA-N 0 3 346.383 1.528 20 5 EDBDHN CN1CC[C@@](O)(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000577225327 448243590 /nfs/dbraw/zinc/24/35/90/448243590.db2.gz OGWIIJQXZVRMNC-QWHCGFSZSA-N 0 3 333.310 1.854 20 5 EDBDHN Cc1c([N+](=O)[O-])ccc(=O)n1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000591241500 448297140 /nfs/dbraw/zinc/29/71/40/448297140.db2.gz MDACLAWMDSSBGW-HNNXBMFYSA-N 0 3 331.372 1.558 20 5 EDBDHN O=C(NCc1ccccc1)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592156326 448716758 /nfs/dbraw/zinc/71/67/58/448716758.db2.gz YHVCJVOYBQCRKK-HNNXBMFYSA-N 0 3 343.387 1.430 20 5 EDBDHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586756913 448799807 /nfs/dbraw/zinc/79/98/07/448799807.db2.gz GGUGCXUDZJWGOP-CQSZACIVSA-N 0 3 343.387 1.960 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(OC(F)F)c2)c1 ZINC000568751027 448914810 /nfs/dbraw/zinc/91/48/10/448914810.db2.gz UQQZUJNUYOCMFM-LBPRGKRZSA-N 0 3 342.302 1.543 20 5 EDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000521142265 448956558 /nfs/dbraw/zinc/95/65/58/448956558.db2.gz WKZDCHQPKNFPBN-UHFFFAOYSA-N 0 3 349.435 1.033 20 5 EDBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860203 448942027 /nfs/dbraw/zinc/94/20/27/448942027.db2.gz GLWJJXYQPLTCEJ-CHWSQXEVSA-N 0 3 344.371 1.357 20 5 EDBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000592882360 449035348 /nfs/dbraw/zinc/03/53/48/449035348.db2.gz RNEHACORXZIWKY-KGLIPLIRSA-N 0 3 343.387 1.702 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000592874047 449031072 /nfs/dbraw/zinc/03/10/72/449031072.db2.gz QUCSFUDQUZQOHP-CYBMUJFWSA-N 0 3 348.403 1.106 20 5 EDBDHN COc1cccc(C(=O)N2CCOC3(CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000592898140 449042266 /nfs/dbraw/zinc/04/22/66/449042266.db2.gz CNUBEYOTAZGFOD-UHFFFAOYSA-N 0 3 349.387 1.540 20 5 EDBDHN COC(=O)COc1ccc(CN2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590052450 449100659 /nfs/dbraw/zinc/10/06/59/449100659.db2.gz CEYNCZOROVQLPJ-DZGCQCFKSA-N 0 3 349.387 1.283 20 5 EDBDHN CN(C)CCN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000593052355 449115216 /nfs/dbraw/zinc/11/52/16/449115216.db2.gz QGVQMFHZQJSKJW-UHFFFAOYSA-N 0 3 340.811 1.454 20 5 EDBDHN COC(=O)CC1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000593058901 449117096 /nfs/dbraw/zinc/11/70/96/449117096.db2.gz GFUOYCFXLDLUEE-UHFFFAOYSA-N 0 3 335.360 1.917 20 5 EDBDHN C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593114615 449141509 /nfs/dbraw/zinc/14/15/09/449141509.db2.gz CGEMSJQAFZWHJX-BLLLJJGKSA-N 0 3 348.378 1.953 20 5 EDBDHN COCCN(CCN(C)C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593450181 449289945 /nfs/dbraw/zinc/28/99/45/449289945.db2.gz GYSGUOALMXBDDH-UHFFFAOYSA-N 0 3 327.356 1.313 20 5 EDBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596214607 449420967 /nfs/dbraw/zinc/42/09/67/449420967.db2.gz XFJJZTWIHZLNPJ-LBPRGKRZSA-N 0 3 348.403 1.383 20 5 EDBDHN O=[N+]([O-])c1ccc2ncnc(NCCCN3CCC(O)CC3)c2c1 ZINC000611700123 449386917 /nfs/dbraw/zinc/38/69/17/449386917.db2.gz DFZYXVLCJBMXHM-UHFFFAOYSA-N 0 3 331.376 1.797 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594325065 449450892 /nfs/dbraw/zinc/45/08/92/449450892.db2.gz AUIOCRJUQFMTIG-LSDHHAIUSA-N 0 3 346.387 1.666 20 5 EDBDHN CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598536345 449453409 /nfs/dbraw/zinc/45/34/09/449453409.db2.gz SGMJCLHQUGDOBC-SGMGOOAPSA-N 0 3 348.403 1.312 20 5 EDBDHN CNc1nccc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000594362493 449468336 /nfs/dbraw/zinc/46/83/36/449468336.db2.gz NGGXUJULWBHLSP-DGCLKSJQSA-N 0 3 333.392 1.730 20 5 EDBDHN Cc1nc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596422161 449494133 /nfs/dbraw/zinc/49/41/33/449494133.db2.gz BNWPFWPWYICHAW-MRXNPFEDSA-N 0 3 342.399 2.477 20 5 EDBDHN Nc1ccc(NCC2CCN(Cc3ccncc3)CC2)nc1[N+](=O)[O-] ZINC000596435996 449502945 /nfs/dbraw/zinc/50/29/45/449502945.db2.gz GUMNLSNFUJQSNM-UHFFFAOYSA-N 0 3 342.403 2.291 20 5 EDBDHN COCCN(C)C[C@@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000594571679 449578259 /nfs/dbraw/zinc/57/82/59/449578259.db2.gz VBFQUXZSTJZRQU-MRXNPFEDSA-N 0 3 334.376 1.397 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])c1 ZINC000599105826 449737736 /nfs/dbraw/zinc/73/77/36/449737736.db2.gz FYBIFVHIELGGPJ-CYBMUJFWSA-N 0 3 341.389 1.166 20 5 EDBDHN C[C@H](C[S@](C)=O)N(C)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602616689 449706958 /nfs/dbraw/zinc/70/69/58/449706958.db2.gz WVQVVTPNUKHOBG-SPSFWMDKSA-N 0 3 340.449 1.657 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601164250 449727881 /nfs/dbraw/zinc/72/78/81/449727881.db2.gz RBTOKWBLGMHQCP-GFCCVEGCSA-N 0 3 338.383 1.490 20 5 EDBDHN C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000601165452 449728154 /nfs/dbraw/zinc/72/81/54/449728154.db2.gz OZNSMDMOXLDNAQ-LBPRGKRZSA-N 0 3 338.383 1.347 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000601225770 449760261 /nfs/dbraw/zinc/76/02/61/449760261.db2.gz OZTQJLNUNHNJCU-HNNXBMFYSA-N 0 3 340.355 1.654 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)CC3(O)CCC3)C2)nc1 ZINC000599326226 449894555 /nfs/dbraw/zinc/89/45/55/449894555.db2.gz TYJBBHXONWMJGI-JSGCOSHPSA-N 0 3 336.392 1.142 20 5 EDBDHN CCc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601420214 449936904 /nfs/dbraw/zinc/93/69/04/449936904.db2.gz CEGWFJRTRCUVHX-RISCZKNCSA-N 0 3 341.433 1.870 20 5 EDBDHN Cc1noc(CN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595406335 450118627 /nfs/dbraw/zinc/11/86/27/450118627.db2.gz CBXDMXVKHXLULL-OCCSQVGLSA-N 0 3 337.424 1.349 20 5 EDBDHN C[C@H](c1ccccc1)[C@H](CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000613389388 450161442 /nfs/dbraw/zinc/16/14/42/450161442.db2.gz MGJFNYHBCITILG-WBMJQRKESA-N 0 3 343.383 1.948 20 5 EDBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597652623 450171512 /nfs/dbraw/zinc/17/15/12/450171512.db2.gz COEPUMKYPHHYHH-SNVBAGLBSA-N 0 3 335.282 1.266 20 5 EDBDHN CCC1(N2CCOCC2)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000599669476 450141368 /nfs/dbraw/zinc/14/13/68/450141368.db2.gz MSKZVMWXPFXHFH-UHFFFAOYSA-N 0 3 337.424 1.368 20 5 EDBDHN CO[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000619429031 450471442 /nfs/dbraw/zinc/47/14/42/450471442.db2.gz OIINTTDLSPGGOX-TZMCWYRMSA-N 0 3 342.417 1.916 20 5 EDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000619482724 450486160 /nfs/dbraw/zinc/48/61/60/450486160.db2.gz QVLILJXACHPIRO-NSHDSACASA-N 0 3 343.405 1.224 20 5 EDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CC[C@H](C)C1 ZINC000610399657 491191994 /nfs/dbraw/zinc/19/19/94/491191994.db2.gz XCHHVHWBFSMBOR-QWHCGFSZSA-N 0 3 348.403 1.171 20 5 EDBDHN CCN1CCN(CCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000272094073 535685154 /nfs/dbraw/zinc/68/51/54/535685154.db2.gz KAPMJPXLMHOUHY-CQSZACIVSA-N 0 3 334.420 1.800 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000345889921 536364050 /nfs/dbraw/zinc/36/40/50/536364050.db2.gz YLDOWMAGJUFRJI-BZPMIXESSA-N 0 3 348.403 1.735 20 5 EDBDHN CN(C)C[C@H]1CCCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000729372555 578565927 /nfs/dbraw/zinc/56/59/27/578565927.db2.gz PAYGZTQDXNOCNL-OAHLLOKOSA-N 0 3 345.403 1.887 20 5 EDBDHN CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN(C2CC2)C1 ZINC000732034706 578687926 /nfs/dbraw/zinc/68/79/26/578687926.db2.gz GOFXYPQFNNEBMR-GFCCVEGCSA-N 0 3 337.351 1.808 20 5 EDBDHN CC(C)[C@H](CN(C)C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000733164694 578745418 /nfs/dbraw/zinc/74/54/18/578745418.db2.gz BQMYMPLGDJEOHI-ZDUSSCGKSA-N 0 3 327.356 1.815 20 5 EDBDHN COc1cccc([C@@H](O)CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000734512521 578819765 /nfs/dbraw/zinc/81/97/65/578819765.db2.gz RKBLHYYXRDXNAS-SJORKVTESA-N 0 3 332.356 1.960 20 5 EDBDHN CCN(CC)C(=O)CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000765331530 580140084 /nfs/dbraw/zinc/14/00/84/580140084.db2.gz DRGPWOQVLVUPRJ-GFCCVEGCSA-N 0 3 336.392 1.770 20 5 EDBDHN C[C@@H](N[C@H](CO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771815459 580295304 /nfs/dbraw/zinc/29/53/04/580295304.db2.gz VBBMSAMJLJYMJQ-AMIZOPFISA-N 0 3 327.768 1.936 20 5 EDBDHN C[C@H]1CN(C2CCOCC2)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000784646016 580625547 /nfs/dbraw/zinc/62/55/47/580625547.db2.gz HUJUGCWXEDWFQL-ZDUSSCGKSA-N 0 3 345.403 1.932 20 5 EDBDHN COC(=O)COc1ccc(CN[C@](C)(CO)C2CC2)cc1[N+](=O)[O-] ZINC000788964455 580733813 /nfs/dbraw/zinc/73/38/13/580733813.db2.gz KALHUMHRUGCWTI-MRXNPFEDSA-N 0 3 338.360 1.397 20 5 EDBDHN COc1cnccc1N1CCN(Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000794702457 580903572 /nfs/dbraw/zinc/90/35/72/580903572.db2.gz WGCIBYXLURRXPO-UHFFFAOYSA-N 0 3 332.364 1.283 20 5 EDBDHN COc1c(O)ccc(CNCCN2CCOCC2(C)C)c1[N+](=O)[O-] ZINC000893343165 590790908 /nfs/dbraw/zinc/79/09/08/590790908.db2.gz NRDXOMCFQJAUDV-UHFFFAOYSA-N 0 3 339.392 1.509 20 5 EDBDHN C[C@@H]1CCCN1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000891618344 591151689 /nfs/dbraw/zinc/15/16/89/591151689.db2.gz OWSMGDADNHWKGT-CYBMUJFWSA-N 0 3 335.408 1.790 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1CCCN1CCCO ZINC000894022142 591168996 /nfs/dbraw/zinc/16/89/96/591168996.db2.gz NNONNJPURXCMSJ-CYBMUJFWSA-N 0 3 348.378 1.963 20 5 EDBDHN C[C@H]1CCCN1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000892930686 591228933 /nfs/dbraw/zinc/22/89/33/591228933.db2.gz ZUECNEHKZUNQIT-ZDUSSCGKSA-N 0 3 336.392 1.757 20 5 EDBDHN C[C@H]1[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCN1C ZINC000895740921 591262958 /nfs/dbraw/zinc/26/29/58/591262958.db2.gz USLOCWMESZZQJQ-JQWIXIFHSA-N 0 3 342.421 1.350 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(N2CC[C@@H]3[C@H]2CCCN3CCO)cc1F ZINC000897219255 591773599 /nfs/dbraw/zinc/77/35/99/591773599.db2.gz JXOGDRFJRJVHJA-ZIAGYGMSSA-N 0 3 339.367 1.262 20 5 EDBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[C@@H]3CCCN4CCO)c2c1 ZINC000897221311 591776108 /nfs/dbraw/zinc/77/61/08/591776108.db2.gz LCXLSFTXPGPHIB-CVEARBPZSA-N 0 3 343.387 1.573 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC12CCN(C)CC2 ZINC000903033932 592103929 /nfs/dbraw/zinc/10/39/29/592103929.db2.gz FPXZCYICVARKOI-UHFFFAOYSA-N 0 3 346.387 1.538 20 5 EDBDHN COc1cc([C@@H](C)N[C@@H]2CCc3nnn(C)c3C2)cc([N+](=O)[O-])c1 ZINC000903224853 592136657 /nfs/dbraw/zinc/13/66/57/592136657.db2.gz BUQFNHLHKXNONU-ZYHUDNBSSA-N 0 3 331.376 1.940 20 5 EDBDHN CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)c1F)CN(C)C ZINC000906373341 592807942 /nfs/dbraw/zinc/80/79/42/592807942.db2.gz SGEJANWGOYKRPE-LBPRGKRZSA-N 0 3 327.356 1.739 20 5 EDBDHN CNc1ccc(C(=O)N(CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000911938456 593040030 /nfs/dbraw/zinc/04/00/30/593040030.db2.gz YUJVXDKWCODMHM-UHFFFAOYSA-N 0 3 336.392 1.165 20 5 EDBDHN CC(=O)NCC[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000805821547 593148056 /nfs/dbraw/zinc/14/80/56/593148056.db2.gz BDRNRPRHUCWRPF-RHSMWYFYSA-N 0 3 335.404 1.866 20 5 EDBDHN C[C@@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)N1C ZINC000840091117 593165765 /nfs/dbraw/zinc/16/57/65/593165765.db2.gz ZJRXYBNNKMFSPL-BETUJISGSA-N 0 3 330.392 1.835 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@H]1C ZINC000839490693 593307201 /nfs/dbraw/zinc/30/72/01/593307201.db2.gz MPNANSPYUWFZPS-CYBMUJFWSA-N 0 3 348.403 1.751 20 5 EDBDHN Cc1nc(CN2CCC(C(=O)OCC(C)[N+](=O)[O-])CC2)cs1 ZINC000813102321 593517581 /nfs/dbraw/zinc/51/75/81/593517581.db2.gz PQVIFYNULBHRRA-SNVBAGLBSA-N 0 3 327.406 1.872 20 5 EDBDHN CC(COC(=O)c1cc2c(c(Br)c1)OCO2)[N+](=O)[O-] ZINC000813105082 593517953 /nfs/dbraw/zinc/51/79/53/593517953.db2.gz VGNYXQRCRSSBEC-ZCFIWIBFSA-N 0 3 332.106 2.000 20 5 EDBDHN CSc1cccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c1 ZINC000813108413 593518136 /nfs/dbraw/zinc/51/81/36/593518136.db2.gz YCWVGDGUEYIUGE-WDEREUQCSA-N 0 3 338.385 1.970 20 5 EDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000816750995 593547309 /nfs/dbraw/zinc/54/73/09/593547309.db2.gz XPDYXPXDZOTYGA-HIFRSBDPSA-N 0 3 334.376 1.112 20 5 EDBDHN CN(C[C@H]1CCCN1C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000817378449 593599318 /nfs/dbraw/zinc/59/93/18/593599318.db2.gz UQFAPXXPUWPUGW-GFCCVEGCSA-N 0 3 332.360 1.174 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@]2(C1)CCCN(C)C2 ZINC000814910365 593606682 /nfs/dbraw/zinc/60/66/82/593606682.db2.gz UMJSMPIRPUYLEI-QGZVFWFLSA-N 0 3 332.404 1.877 20 5 EDBDHN CO[C@@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000819070178 593737336 /nfs/dbraw/zinc/73/73/36/593737336.db2.gz TWPLISWEZIDMPD-PWSUYJOCSA-N 0 3 338.282 1.501 20 5 EDBDHN Cc1nc2c(s1)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000819216790 593744701 /nfs/dbraw/zinc/74/47/01/593744701.db2.gz KSPVIBHDMAVRHF-NWDGAFQWSA-N 0 3 337.405 1.584 20 5 EDBDHN Cc1nc2c(s1)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000819216792 593744766 /nfs/dbraw/zinc/74/47/66/593744766.db2.gz KSPVIBHDMAVRHF-VXGBXAGGSA-N 0 3 337.405 1.584 20 5 EDBDHN Cc1cc(Cl)nc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000819291876 593748845 /nfs/dbraw/zinc/74/88/45/593748845.db2.gz XZZZRVQJCYGKLA-LBPRGKRZSA-N 0 3 325.756 1.299 20 5 EDBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])[nH]1 ZINC000820075582 593788852 /nfs/dbraw/zinc/78/88/52/593788852.db2.gz QQCBLXLLUMPJHQ-VIKVFOODSA-N 0 3 326.356 1.783 20 5 EDBDHN CN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000821844071 593952612 /nfs/dbraw/zinc/95/26/12/593952612.db2.gz YCSCLZCJLSANRY-UHFFFAOYSA-N 0 3 338.383 1.491 20 5 EDBDHN CC(C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N1CCN(C)CC1 ZINC000823297308 594181715 /nfs/dbraw/zinc/18/17/15/594181715.db2.gz BOJGIGGRBGSTKB-AWEZNQCLSA-N 0 3 328.457 1.210 20 5 EDBDHN CN(C)CCN(CC(=O)N(C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000827157856 594648982 /nfs/dbraw/zinc/64/89/82/594648982.db2.gz JSNWOOIIAZWBAS-UHFFFAOYSA-N 0 3 342.827 1.700 20 5 EDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](CN(C)C)OCC ZINC000831723445 594696283 /nfs/dbraw/zinc/69/62/83/594696283.db2.gz GWCINJVHEQSLEA-LBPRGKRZSA-N 0 3 339.392 1.690 20 5 EDBDHN CCO[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000831777324 594702280 /nfs/dbraw/zinc/70/22/80/594702280.db2.gz WWMRPHVJBXASAQ-ZDUSSCGKSA-N 0 3 341.433 1.770 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CN(C)C)cc1Cl ZINC000836779780 594997329 /nfs/dbraw/zinc/99/73/29/594997329.db2.gz VETWJJPYBQBHGG-AWEZNQCLSA-N 0 3 329.784 1.599 20 5 EDBDHN CC(C)N1CC[C@@H](N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000837186504 595052911 /nfs/dbraw/zinc/05/29/11/595052911.db2.gz RNPZDQVQEJZUSJ-CQSZACIVSA-N 0 3 349.387 1.727 20 5 EDBDHN CC([C@@H](OC(=O)CCNS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845879359 595086186 /nfs/dbraw/zinc/08/61/86/595086186.db2.gz UMNUTLVJXDDFSA-TVQRCGJNSA-N 0 3 348.352 1.015 20 5 EDBDHN CC([C@@H](OC(=O)c1cc2n(n1)CCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845882592 595087007 /nfs/dbraw/zinc/08/70/07/595087007.db2.gz OSNHYIXXGKVDMU-YMTOWFKASA-N 0 3 335.291 1.978 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]CC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000842758692 595190193 /nfs/dbraw/zinc/19/01/93/595190193.db2.gz MLGFOARNYFCYIR-UHFFFAOYSA-N 0 3 333.797 1.716 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CC2(CC([NH3+])C2)C1 ZINC000842795560 595202003 /nfs/dbraw/zinc/20/20/03/595202003.db2.gz SCOYVJADVIXBHR-UHFFFAOYSA-N 0 3 325.390 1.451 20 5 EDBDHN COc1cc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000867309496 595227039 /nfs/dbraw/zinc/22/70/39/595227039.db2.gz SIXGRISBMWJTAM-CMPLNLGQSA-N 0 3 343.405 1.317 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000842914991 595234356 /nfs/dbraw/zinc/23/43/56/595234356.db2.gz PMNVPSISIZJTMS-BDAKNGLRSA-N 0 3 335.813 1.961 20 5 EDBDHN N[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000852761621 595531841 /nfs/dbraw/zinc/53/18/41/595531841.db2.gz YGOKPALOJUKRHE-NXEZZACHSA-N 0 3 330.747 1.558 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000112916836 595562699 /nfs/dbraw/zinc/56/26/99/595562699.db2.gz WCHXYGSNSUPWLR-LBPRGKRZSA-N 0 3 338.383 1.490 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000853082018 595659078 /nfs/dbraw/zinc/65/90/78/595659078.db2.gz AYRWAXXRVFQDKQ-LBPRGKRZSA-N 0 3 333.797 1.587 20 5 EDBDHN CNc1ccc(C(=O)OC[C@@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000861032217 595870109 /nfs/dbraw/zinc/87/01/09/595870109.db2.gz KUOHAEYYFPDAMA-ZDUSSCGKSA-N 0 3 337.376 1.904 20 5 EDBDHN COCCN1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000861034329 595871849 /nfs/dbraw/zinc/87/18/49/595871849.db2.gz PQWZXRUTQPHDBS-ZDUSSCGKSA-N 0 3 338.360 1.871 20 5 EDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000867814405 596566395 /nfs/dbraw/zinc/56/63/95/596566395.db2.gz PMABPCJCBMOZMK-RISCZKNCSA-N 0 3 325.390 1.310 20 5 EDBDHN CC(COC(=O)c1cc(Br)cn2ccnc12)[N+](=O)[O-] ZINC000870377592 596856959 /nfs/dbraw/zinc/85/69/59/596856959.db2.gz RDBPIHBRBOXSDD-ZETCQYMHSA-N 0 3 328.122 1.919 20 5 EDBDHN CC[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000125512221 596922376 /nfs/dbraw/zinc/92/23/76/596922376.db2.gz LCVYVUQKFRZKQK-OAHLLOKOSA-N 0 3 346.431 1.975 20 5 EDBDHN CC(C)c1cccc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001002782711 709388407 /nfs/dbraw/zinc/38/84/07/709388407.db2.gz OGKHLCPJIIVABV-NVXWUHKLSA-N 0 3 346.431 1.951 20 5 EDBDHN O=C(CN1CCCC1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001004147088 711558260 /nfs/dbraw/zinc/55/82/60/711558260.db2.gz CQWMXBIRZBKQJO-UHFFFAOYSA-N 0 3 346.431 1.771 20 5 EDBDHN Cc1ccc([C@H](C)NC[C@@H](O)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000557584987 306230027 /nfs/dbraw/zinc/23/00/27/306230027.db2.gz JZMALWYZSGMPEE-GOEBONIOSA-N 0 3 336.436 1.162 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000268269508 290877463 /nfs/dbraw/zinc/87/74/63/290877463.db2.gz SNAGULFLXSAMJW-JOYOIKCWSA-N 0 3 347.824 1.819 20 5 EDBDHN O=C(C[C@H]1CSCCN1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000562977877 306314485 /nfs/dbraw/zinc/31/44/85/306314485.db2.gz OJWKDISZGLIJQA-NSHDSACASA-N 0 3 339.421 1.050 20 5 EDBDHN CNC(=O)C1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000026341702 202141765 /nfs/dbraw/zinc/14/17/65/202141765.db2.gz MDDYIZYGYYHAQA-UHFFFAOYSA-N 0 3 348.403 1.690 20 5 EDBDHN Cc1nn(C)c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000098096910 138297584 /nfs/dbraw/zinc/29/75/84/138297584.db2.gz SDGQUYDFPHIDJS-AWEZNQCLSA-N 0 3 345.403 1.539 20 5 EDBDHN Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130594217 138342698 /nfs/dbraw/zinc/34/26/98/138342698.db2.gz ODGYQHNIHUBLQE-UONOGXRCSA-N 0 3 334.380 1.329 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H](CO)CN1CCCCC1 ZINC000413822007 304078285 /nfs/dbraw/zinc/07/82/85/304078285.db2.gz SYUNBDJIYLGULB-CYBMUJFWSA-N 0 3 339.367 1.239 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](Cc2ccncc2)C1 ZINC000359875115 201114979 /nfs/dbraw/zinc/11/49/79/201114979.db2.gz RPXPTORAMAVDJC-OAHLLOKOSA-N 0 3 328.372 1.716 20 5 EDBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000134961683 284160674 /nfs/dbraw/zinc/16/06/74/284160674.db2.gz GWJICEZRWKHSIK-CYBMUJFWSA-N 0 3 329.360 1.885 20 5 EDBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000134961683 284160675 /nfs/dbraw/zinc/16/06/75/284160675.db2.gz GWJICEZRWKHSIK-CYBMUJFWSA-N 0 3 329.360 1.885 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000044502306 204301841 /nfs/dbraw/zinc/30/18/41/204301841.db2.gz LLSHIHVPHGUCQQ-SECBINFHSA-N 0 3 333.797 1.526 20 5 EDBDHN Cn1cc(C(=O)NC[C@@H]2CCN(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110653321 220052853 /nfs/dbraw/zinc/05/28/53/220052853.db2.gz RFKNCHVOWLLITE-LBPRGKRZSA-N 0 3 343.387 1.677 20 5 EDBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000131107181 205274207 /nfs/dbraw/zinc/27/42/07/205274207.db2.gz MQOKWKMVGGFGHN-KGLIPLIRSA-N 0 3 346.387 1.118 20 5 EDBDHN COCCN(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156334414 206071280 /nfs/dbraw/zinc/07/12/80/206071280.db2.gz YSSPZJFXTGVZPV-UHFFFAOYSA-N 0 3 335.360 1.733 20 5 EDBDHN CN1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000248141007 139158750 /nfs/dbraw/zinc/15/87/50/139158750.db2.gz YNFBDPZFJRCWIV-XJKSGUPXSA-N 0 3 329.360 1.353 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2C[C@H](N)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000261624886 139212336 /nfs/dbraw/zinc/21/23/36/139212336.db2.gz GONQGFPTGDCGCQ-CYBMUJFWSA-N 0 3 347.396 1.982 20 5 EDBDHN Cc1ccc(NC(=O)C2(S(C)(=O)=O)CCNCC2)cc1[N+](=O)[O-] ZINC000262017462 139244175 /nfs/dbraw/zinc/24/41/75/139244175.db2.gz WSQRXLMQDVNLBP-UHFFFAOYSA-N 0 3 341.389 1.009 20 5 EDBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1NCCc2ccccc21 ZINC000262336196 139271088 /nfs/dbraw/zinc/27/10/88/139271088.db2.gz HGYZVFMSUBSWBG-OAHLLOKOSA-N 0 3 341.367 1.977 20 5 EDBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000177325616 207321517 /nfs/dbraw/zinc/32/15/17/207321517.db2.gz VULPADSGNODBMP-UHFFFAOYSA-N 0 3 344.371 1.765 20 5 EDBDHN CCCCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000112364042 220314886 /nfs/dbraw/zinc/31/48/86/220314886.db2.gz ZVKRCRGRTOAVAF-UHFFFAOYSA-N 0 3 345.421 1.614 20 5 EDBDHN CCN(CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263756000 139358161 /nfs/dbraw/zinc/35/81/61/139358161.db2.gz QQDMINBPFFINAL-GFCCVEGCSA-N 0 3 348.403 1.314 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492208422 255162340 /nfs/dbraw/zinc/16/23/40/255162340.db2.gz OCJADJCMZBONCE-ZQMJAJRESA-N 0 3 325.340 1.176 20 5 EDBDHN CS[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000270441391 140100752 /nfs/dbraw/zinc/10/07/52/140100752.db2.gz HWONDNLBSDOKPH-UONOGXRCSA-N 0 3 339.417 1.478 20 5 EDBDHN CCCc1n[nH]c(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000270544582 140120951 /nfs/dbraw/zinc/12/09/51/140120951.db2.gz YJRUUDKFZYKISD-MNOVXSKESA-N 0 3 341.437 1.388 20 5 EDBDHN CCCc1[nH]nc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000270544582 140120952 /nfs/dbraw/zinc/12/09/52/140120952.db2.gz YJRUUDKFZYKISD-MNOVXSKESA-N 0 3 341.437 1.388 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CN1C1CC1 ZINC000271340568 140281345 /nfs/dbraw/zinc/28/13/45/140281345.db2.gz UAKYULFAHWRVFB-WPRPVWTQSA-N 0 3 347.400 1.955 20 5 EDBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)N(C)C ZINC000272037705 140391278 /nfs/dbraw/zinc/39/12/78/140391278.db2.gz QGYKMXKFZMWAKZ-GFCCVEGCSA-N 0 3 336.392 1.111 20 5 EDBDHN CCN1C[C@@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000330837346 140934723 /nfs/dbraw/zinc/93/47/23/140934723.db2.gz LZXROBZVMCELCO-ZIAGYGMSSA-N 0 3 334.420 1.972 20 5 EDBDHN CC1CCN(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000331570012 141049857 /nfs/dbraw/zinc/04/98/57/141049857.db2.gz LSOJHPRMGCAMLW-AWEZNQCLSA-N 0 3 347.419 1.735 20 5 EDBDHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331965084 141103919 /nfs/dbraw/zinc/10/39/19/141103919.db2.gz BQNCCHCYEZQPCQ-DJIMGWMZSA-N 0 3 349.431 1.893 20 5 EDBDHN NC(=O)c1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000331999752 141108653 /nfs/dbraw/zinc/10/86/53/141108653.db2.gz VJNUOTFZSBBGKJ-FMKPAKJESA-N 0 3 349.387 1.840 20 5 EDBDHN CCN1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])c(OC)c3)[C@@H]2C1 ZINC000339393272 142035371 /nfs/dbraw/zinc/03/53/71/142035371.db2.gz NUPKRKJLAAPFPS-CVEARBPZSA-N 0 3 335.404 1.898 20 5 EDBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000340180353 142294185 /nfs/dbraw/zinc/29/41/85/142294185.db2.gz IOFLANZPQUWYBC-UHFFFAOYSA-N 0 3 346.391 1.297 20 5 EDBDHN COCC1(O)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000340238944 142316415 /nfs/dbraw/zinc/31/64/15/142316415.db2.gz MBNJRZGMQRPUEU-UHFFFAOYSA-N 0 3 337.376 1.397 20 5 EDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000345705735 143123530 /nfs/dbraw/zinc/12/35/30/143123530.db2.gz KXJHIPJROHUWLP-HIFRSBDPSA-N 0 3 340.401 1.421 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CN(C)C ZINC000416507635 304326549 /nfs/dbraw/zinc/32/65/49/304326549.db2.gz LLJCQAHWORUSKW-UHFFFAOYSA-N 0 3 331.394 1.222 20 5 EDBDHN O=C(NCCNc1ccncc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355311455 150212011 /nfs/dbraw/zinc/21/20/11/150212011.db2.gz JZPVHQBYAYYQEK-UHFFFAOYSA-N 0 3 325.328 1.735 20 5 EDBDHN CSc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358067455 151255747 /nfs/dbraw/zinc/25/57/47/151255747.db2.gz PRQNEUFDDALACZ-CQSZACIVSA-N 0 3 325.390 1.113 20 5 EDBDHN CNc1c(C(=O)NC[C@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000360952261 152261624 /nfs/dbraw/zinc/26/16/24/152261624.db2.gz YHUKRSQYGVNAOX-OAHLLOKOSA-N 0 3 338.433 1.804 20 5 EDBDHN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000363593486 153008838 /nfs/dbraw/zinc/00/88/38/153008838.db2.gz YPRCHDRPVKTNAE-UONOGXRCSA-N 0 3 335.408 1.657 20 5 EDBDHN Cc1cc(C(=O)N2CCCN(CC(C)(C)O)CC2)cc([N+](=O)[O-])c1 ZINC000364158472 153159599 /nfs/dbraw/zinc/15/95/99/153159599.db2.gz CVBSJANHDHEKDM-UHFFFAOYSA-N 0 3 335.404 1.822 20 5 EDBDHN Cn1cc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000367839503 154293155 /nfs/dbraw/zinc/29/31/55/154293155.db2.gz MECWCVILHHYYKC-ZSHCYNCHSA-N 0 3 328.372 1.665 20 5 EDBDHN CN1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000374314259 157239178 /nfs/dbraw/zinc/23/91/78/157239178.db2.gz CGBAUNSZYDLQMD-HUUCEWRRSA-N 0 3 329.360 1.005 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000575802924 306672123 /nfs/dbraw/zinc/67/21/23/306672123.db2.gz XVRMEZCDIGWCCS-CYBMUJFWSA-N 0 3 344.375 1.431 20 5 EDBDHN Cc1nnc([C@H]2CC23CCN(CCn2cc([N+](=O)[O-])cn2)CC3)o1 ZINC000377933216 158032417 /nfs/dbraw/zinc/03/24/17/158032417.db2.gz UDSXBBBFKVOSBM-CYBMUJFWSA-N 0 3 332.364 1.752 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCN3CCOCC3)C2)nc1 ZINC000072665177 287255392 /nfs/dbraw/zinc/25/53/92/287255392.db2.gz CDQCMIZFMUFPAY-AWEZNQCLSA-N 0 3 335.408 1.198 20 5 EDBDHN CC1CCC(N2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)CC1 ZINC000090549602 287331163 /nfs/dbraw/zinc/33/11/63/287331163.db2.gz WYHAGQRYXHOUKJ-UHFFFAOYSA-N 0 3 348.447 1.953 20 5 EDBDHN COCCOCCOCCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274399051 268135022 /nfs/dbraw/zinc/13/50/22/268135022.db2.gz MLDXYSOCVRZAMZ-UHFFFAOYSA-N 0 3 342.392 1.763 20 5 EDBDHN CCN1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000276283904 273157334 /nfs/dbraw/zinc/15/73/34/273157334.db2.gz GKHATLIXDOZXOY-HNNXBMFYSA-N 0 3 336.411 1.946 20 5 EDBDHN COC[C@@H]1C[C@H](OC)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000284689270 274295448 /nfs/dbraw/zinc/29/54/48/274295448.db2.gz PUEBMLTZCNHATL-DZKIICNBSA-N 0 3 340.376 1.070 20 5 EDBDHN CCN1CCN(CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000254925419 287824710 /nfs/dbraw/zinc/82/47/10/287824710.db2.gz POZFVCDSQLOOKL-SREVYHEPSA-N 0 3 332.404 1.362 20 5 EDBDHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000347588515 279297899 /nfs/dbraw/zinc/29/78/99/279297899.db2.gz OPHNIOGCKQTXQB-ZCFIWIBFSA-N 0 3 327.284 1.239 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2N[C@@H](CO)CN2CCCCC2)s1 ZINC000450518247 280361310 /nfs/dbraw/zinc/36/13/10/280361310.db2.gz INWDSMURKKQHKI-SNVBAGLBSA-N 0 3 337.405 1.858 20 5 EDBDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000291200852 289017119 /nfs/dbraw/zinc/01/71/19/289017119.db2.gz GAROLKLQPMYCQQ-AWEZNQCLSA-N 0 3 327.360 1.120 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](n3cccn3)C2)c1 ZINC000291741784 289167003 /nfs/dbraw/zinc/16/70/03/289167003.db2.gz JZILOSXPKGRIDZ-GJZGRUSLSA-N 0 3 332.360 1.478 20 5 EDBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000332051662 289214422 /nfs/dbraw/zinc/21/44/22/289214422.db2.gz MUCCYGBASSQKHN-CYBMUJFWSA-N 0 3 343.387 1.852 20 5 EDBDHN CN1CC[C@@]2(CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000291959130 289225891 /nfs/dbraw/zinc/22/58/91/289225891.db2.gz NZPPAUAUVILUEU-QGZVFWFLSA-N 0 3 332.404 1.875 20 5 EDBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292011726 289238401 /nfs/dbraw/zinc/23/84/01/289238401.db2.gz MTXRFFIDLUZFHI-CQSZACIVSA-N 0 3 325.390 1.311 20 5 EDBDHN CC(C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000345668332 298071401 /nfs/dbraw/zinc/07/14/01/298071401.db2.gz SIQVPVMPLPCQMI-NOZJJQNGSA-N 0 3 344.414 1.602 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420462485 304760946 /nfs/dbraw/zinc/76/09/46/304760946.db2.gz HTXWQFUZJKYJKL-WDEREUQCSA-N 0 3 343.405 1.399 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000294174710 303073048 /nfs/dbraw/zinc/07/30/48/303073048.db2.gz ORIFZIWQPRRDLB-INIZCTEOSA-N 0 3 335.408 1.434 20 5 EDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCCN(CCCO)C1 ZINC000296206742 303302904 /nfs/dbraw/zinc/30/29/04/303302904.db2.gz IHZLQUVRQDNAIY-LLVKDONJSA-N 0 3 340.355 1.702 20 5 EDBDHN Cc1cc(F)c(NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000296778531 303337135 /nfs/dbraw/zinc/33/71/35/303337135.db2.gz PMCGFDCCAVACNT-NSHDSACASA-N 0 3 340.355 1.837 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(C(=O)N(C)C)CC1 ZINC000411910459 303931537 /nfs/dbraw/zinc/93/15/37/303931537.db2.gz IKHKEKCMXGYBME-UHFFFAOYSA-N 0 3 334.376 1.442 20 5 EDBDHN CS[C@H]1CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424612338 304934617 /nfs/dbraw/zinc/93/46/17/304934617.db2.gz FTBHWQKLYBCQSZ-STQMWFEESA-N 0 3 330.431 1.852 20 5 EDBDHN O=[N+]([O-])c1cccc(N2CCN(CCN3CCCOCC3)CC2)c1 ZINC000429707598 305035573 /nfs/dbraw/zinc/03/55/73/305035573.db2.gz JMUPPLQGAIANTQ-UHFFFAOYSA-N 0 3 334.420 1.439 20 5 EDBDHN CCc1nn(C)c(NCCCN2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000432850120 305096118 /nfs/dbraw/zinc/09/61/18/305096118.db2.gz DPEUPIGQTBKJLW-LBPRGKRZSA-N 0 3 325.413 1.804 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000442144635 305226192 /nfs/dbraw/zinc/22/61/92/305226192.db2.gz IHLYAEQIZGJBDO-YPMHNXCESA-N 0 3 334.376 1.441 20 5 EDBDHN COc1cc(CCNC(=O)[C@@H](C)NC2CC2)c([N+](=O)[O-])cc1OC ZINC000449072226 305305763 /nfs/dbraw/zinc/30/57/63/305305763.db2.gz PFQLIFKTVUVXEB-SNVBAGLBSA-N 0 3 337.376 1.411 20 5 EDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CCOCC2)C1=O ZINC000449179529 305308992 /nfs/dbraw/zinc/30/89/92/305308992.db2.gz WCVSRPXQHTWJQF-BBRMVZONSA-N 0 3 347.415 1.895 20 5 EDBDHN COCC(COC)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449541821 305313460 /nfs/dbraw/zinc/31/34/60/305313460.db2.gz KXEFCESUCHSVAZ-NSHDSACASA-N 0 3 325.365 1.563 20 5 EDBDHN CN(C(=O)CN[C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451611297 305356198 /nfs/dbraw/zinc/35/61/98/305356198.db2.gz OYYRTIPBWWCZSO-FUHWJXTLSA-N 0 3 347.415 1.944 20 5 EDBDHN CC(C)(C(=O)NC[C@@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000452348781 305390974 /nfs/dbraw/zinc/39/09/74/305390974.db2.gz AQZZRPDFORWGEE-INIZCTEOSA-N 0 3 349.431 1.835 20 5 EDBDHN O=C(NC[C@H]1CCCCN1CCO)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000452395419 305397844 /nfs/dbraw/zinc/39/78/44/305397844.db2.gz WPRILGUZKFUXRV-GFCCVEGCSA-N 0 3 347.375 1.048 20 5 EDBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547761932 306110857 /nfs/dbraw/zinc/11/08/57/306110857.db2.gz KBLGKNJCGUOFID-UHFFFAOYSA-N 0 3 331.376 1.958 20 5 EDBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(CCCO)C1 ZINC000493810884 447400610 /nfs/dbraw/zinc/40/06/10/447400610.db2.gz ALPNGQNQTXKUAP-WHLNPGIBSA-N 0 3 333.388 1.571 20 5 EDBDHN COc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)c([N+](=O)[O-])cc1F ZINC000449879666 447406685 /nfs/dbraw/zinc/40/66/85/447406685.db2.gz IVUJEBFHFSCYGY-JTQLQIEISA-N 0 3 341.339 1.145 20 5 EDBDHN CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@H]1CCCN(C)C1 ZINC000449945777 447417604 /nfs/dbraw/zinc/41/76/04/447417604.db2.gz RRSDHBWPJXSMRX-AWEZNQCLSA-N 0 3 343.387 1.947 20 5 EDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000047633036 441212553 /nfs/dbraw/zinc/21/25/53/441212553.db2.gz PFVWHMUSWKCANE-INIZCTEOSA-N 0 3 347.415 1.851 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000081729351 441305691 /nfs/dbraw/zinc/30/56/91/441305691.db2.gz BLHPSSJVIXUARV-DOMZBBRYSA-N 0 3 348.403 1.123 20 5 EDBDHN CN(C)C(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068367689 441784972 /nfs/dbraw/zinc/78/49/72/441784972.db2.gz DQIITQWUJZPDPS-UHFFFAOYSA-N 0 3 348.403 1.724 20 5 EDBDHN CN(CC1CCN(C)CC1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000068392259 441789204 /nfs/dbraw/zinc/78/92/04/441789204.db2.gz XLKOUXIGYSTGAY-UHFFFAOYSA-N 0 3 349.387 1.586 20 5 EDBDHN CNC(=O)c1ccc(NC[C@H]2CCCN2CCOC)c([N+](=O)[O-])c1 ZINC000068910804 441867328 /nfs/dbraw/zinc/86/73/28/441867328.db2.gz ZHHIHFQBGKGDCP-CYBMUJFWSA-N 0 3 336.392 1.477 20 5 EDBDHN COc1cc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000150812764 441955806 /nfs/dbraw/zinc/95/58/06/441955806.db2.gz RVQIAYAXCAHZLA-NSHDSACASA-N 0 3 343.405 1.318 20 5 EDBDHN CCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150814020 441955990 /nfs/dbraw/zinc/95/59/90/441955990.db2.gz ZZCCQYTYNOBQTG-UHFFFAOYSA-N 0 3 345.421 1.614 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000174737856 441962742 /nfs/dbraw/zinc/96/27/42/441962742.db2.gz PRQILLNAOXSXJD-RDJZCZTQSA-N 0 3 348.378 1.998 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000125207867 441997033 /nfs/dbraw/zinc/99/70/33/441997033.db2.gz CBICKYFXIOKMIU-NWDGAFQWSA-N 0 3 327.406 1.760 20 5 EDBDHN CC(C)[C@H](C)NC(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176222276 442194875 /nfs/dbraw/zinc/19/48/75/442194875.db2.gz REBBKAFSJLDDIG-ZDUSSCGKSA-N 0 3 337.424 1.664 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000152536586 442223269 /nfs/dbraw/zinc/22/32/69/442223269.db2.gz ALGLCDAHGHFTDN-INIZCTEOSA-N 0 3 336.392 1.212 20 5 EDBDHN COc1cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177066006 442293078 /nfs/dbraw/zinc/29/30/78/442293078.db2.gz AKYBXDAUSVHFIY-MNOVXSKESA-N 0 3 349.387 1.967 20 5 EDBDHN CCCN1CCCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000155070954 442373917 /nfs/dbraw/zinc/37/39/17/442373917.db2.gz QIZIVGPVOCJGBI-UHFFFAOYSA-N 0 3 348.403 1.786 20 5 EDBDHN O=C(CCN1CCC[C@@H](OCCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000172301331 442439165 /nfs/dbraw/zinc/43/91/65/442439165.db2.gz RXPRUPRTUFOEOR-CYBMUJFWSA-N 0 3 337.376 1.397 20 5 EDBDHN CC[C@H](NCCC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178673228 442454773 /nfs/dbraw/zinc/45/47/73/442454773.db2.gz HBNVEKBVNHHADS-INIZCTEOSA-N 0 3 334.420 1.800 20 5 EDBDHN CCN(CC)CCSc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000172821232 442549598 /nfs/dbraw/zinc/54/95/98/442549598.db2.gz QCTWURCHSMCBNQ-UHFFFAOYSA-N 0 3 333.435 1.676 20 5 EDBDHN COC(=O)c1cc(C(=O)N(C)CCN(C)C2CC2)cc([N+](=O)[O-])c1 ZINC000186729862 442603070 /nfs/dbraw/zinc/60/30/70/442603070.db2.gz SXEVYZCPOVCYEV-UHFFFAOYSA-N 0 3 335.360 1.548 20 5 EDBDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000173272498 442638892 /nfs/dbraw/zinc/63/88/92/442638892.db2.gz KLBYEHJKEMFTNV-IUODEOHRSA-N 0 3 341.433 1.839 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CCN(C)CC1 ZINC000180980621 442673097 /nfs/dbraw/zinc/67/30/97/442673097.db2.gz BAYLIOPCAWEHRX-UHFFFAOYSA-N 0 3 334.376 1.361 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)NCCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000188148749 442716930 /nfs/dbraw/zinc/71/69/30/442716930.db2.gz GOMRHDBJLILYNO-UHFFFAOYSA-N 0 3 349.384 1.361 20 5 EDBDHN CN(CCc1ccccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182168917 442741691 /nfs/dbraw/zinc/74/16/91/442741691.db2.gz UAKNHNNETPBZIE-OAHLLOKOSA-N 0 3 331.372 1.904 20 5 EDBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193642896 442762856 /nfs/dbraw/zinc/76/28/56/442762856.db2.gz OXSDUVXOJZSYOB-UHFFFAOYSA-N 0 3 349.366 1.521 20 5 EDBDHN COCCO[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000189727883 442998381 /nfs/dbraw/zinc/99/83/81/442998381.db2.gz FQHJKOPGWNAUBU-ZDUSSCGKSA-N 0 3 337.376 1.661 20 5 EDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000265943427 442978978 /nfs/dbraw/zinc/97/89/78/442978978.db2.gz IPSALKUPOFBJKW-SMDDNHRTSA-N 0 3 339.367 1.911 20 5 EDBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000265990679 442995912 /nfs/dbraw/zinc/99/59/12/442995912.db2.gz MBRIKGLAKGEBCS-NWDGAFQWSA-N 0 3 349.387 1.921 20 5 EDBDHN CC[C@@H](C)N1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296232073 318677367 /nfs/dbraw/zinc/67/73/67/318677367.db2.gz WQSJBAHIKIGBGX-CQSZACIVSA-N 0 3 334.420 1.974 20 5 EDBDHN COC(=O)C1=NOC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000185091265 443134787 /nfs/dbraw/zinc/13/47/87/443134787.db2.gz CASNABNQEIDWIX-UHFFFAOYSA-N 0 3 333.344 1.879 20 5 EDBDHN CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])CCC(=O)OC ZINC000266517569 443153861 /nfs/dbraw/zinc/15/38/61/443153861.db2.gz HFBMAOFXNSPCPW-UHFFFAOYSA-N 0 3 326.349 1.867 20 5 EDBDHN [NH3+]C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000382516189 319123899 /nfs/dbraw/zinc/12/38/99/319123899.db2.gz RJTDVSHAJDCEBJ-BDAKNGLRSA-N 0 3 333.797 1.654 20 5 EDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCN(CC)C1 ZINC000412829739 319243634 /nfs/dbraw/zinc/24/36/34/319243634.db2.gz ACXCBAYIDHQWLP-VXGBXAGGSA-N 0 3 338.412 1.038 20 5 EDBDHN CCN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000412872684 319246228 /nfs/dbraw/zinc/24/62/28/319246228.db2.gz HJYLAISTGNTNNF-ZDUSSCGKSA-N 0 3 348.403 1.255 20 5 EDBDHN CCN1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413078517 319263516 /nfs/dbraw/zinc/26/35/16/319263516.db2.gz NFGAFAXURTZTPH-GFCCVEGCSA-N 0 3 325.388 1.814 20 5 EDBDHN C[C@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)C ZINC000264530392 443315288 /nfs/dbraw/zinc/31/52/88/443315288.db2.gz XWGPQQKGDQCAEY-SECBINFHSA-N 0 3 342.783 1.044 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272592436 443375701 /nfs/dbraw/zinc/37/57/01/443375701.db2.gz NYIXZIASTXBREJ-HOCLYGCPSA-N 0 3 332.404 1.873 20 5 EDBDHN COc1ccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000272767001 443438044 /nfs/dbraw/zinc/43/80/44/443438044.db2.gz BJGCNKBMEWNQQB-LBPRGKRZSA-N 0 3 338.364 1.398 20 5 EDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC1CCN(C)CC1 ZINC000282908981 443466784 /nfs/dbraw/zinc/46/67/84/443466784.db2.gz XMCVXLFEZMKCPA-UHFFFAOYSA-N 0 3 338.339 1.191 20 5 EDBDHN CN(C[C@H]1CCCN(C)C1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265191084 443564917 /nfs/dbraw/zinc/56/49/17/443564917.db2.gz HEHVQOPGKXTBRT-NSHDSACASA-N 0 3 342.421 1.020 20 5 EDBDHN C[C@@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000273144415 443550189 /nfs/dbraw/zinc/55/01/89/443550189.db2.gz FWVIQRIXPZZVNA-CHWSQXEVSA-N 0 3 335.408 1.710 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000265351713 443613104 /nfs/dbraw/zinc/61/31/04/443613104.db2.gz KCYNNBFLJLXUGW-LBPRGKRZSA-N 0 3 332.360 1.479 20 5 EDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000449661821 320197663 /nfs/dbraw/zinc/19/76/63/320197663.db2.gz JOFUWJVIQWSIPN-ZDUSSCGKSA-N 0 3 342.346 1.900 20 5 EDBDHN Cc1c(NC(=O)C(=O)NCCN2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000454074378 320282704 /nfs/dbraw/zinc/28/27/04/320282704.db2.gz XBPGCEVODAFLED-UHFFFAOYSA-N 0 3 348.403 1.832 20 5 EDBDHN CN(C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000298297019 443741165 /nfs/dbraw/zinc/74/11/65/443741165.db2.gz HZRLQENWQICMEF-HNNXBMFYSA-N 0 3 344.371 1.176 20 5 EDBDHN COC(=O)C1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298498534 443784947 /nfs/dbraw/zinc/78/49/47/443784947.db2.gz NGMXEYNYJDAQOI-UHFFFAOYSA-N 0 3 349.387 1.600 20 5 EDBDHN CN(C)CC1(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC1 ZINC000281091763 443816087 /nfs/dbraw/zinc/81/60/87/443816087.db2.gz PDDQIEHLKRKSNI-UHFFFAOYSA-N 0 3 344.375 1.390 20 5 EDBDHN Cc1cc(OCC(=O)N2C[C@@H]3CCCN3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281551835 443940942 /nfs/dbraw/zinc/94/09/42/443940942.db2.gz XSJRIVKLXKHVFV-KGLIPLIRSA-N 0 3 333.388 1.977 20 5 EDBDHN CN(C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000299060082 443941946 /nfs/dbraw/zinc/94/19/46/443941946.db2.gz UUYVJZGDQYFAMU-UHFFFAOYSA-N 0 3 332.360 1.793 20 5 EDBDHN CN(C)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccn1 ZINC000539541588 320752396 /nfs/dbraw/zinc/75/23/96/320752396.db2.gz IBNJSLDWGYHAJG-UHFFFAOYSA-N 0 3 331.332 1.578 20 5 EDBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285225649 443902912 /nfs/dbraw/zinc/90/29/12/443902912.db2.gz XIJKGFVYNLGGNU-UHFFFAOYSA-N 0 3 335.339 1.661 20 5 EDBDHN CN(CCCN1CCN(C)CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285629245 444053594 /nfs/dbraw/zinc/05/35/94/444053594.db2.gz NHCLLNYNLMMIRV-UHFFFAOYSA-N 0 3 342.390 1.942 20 5 EDBDHN CCOC1CC(CNCc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)C1 ZINC000277720197 444030891 /nfs/dbraw/zinc/03/08/91/444030891.db2.gz NLWYEOCPQSIHOM-UHFFFAOYSA-N 0 3 349.431 1.954 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000285727854 444087967 /nfs/dbraw/zinc/08/79/67/444087967.db2.gz KETHNWZGTRHEFW-HOTGVXAUSA-N 0 3 344.371 1.621 20 5 EDBDHN COC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000564297975 321126022 /nfs/dbraw/zinc/12/60/22/321126022.db2.gz LTKHXDGGHKVIAK-ZDUSSCGKSA-N 0 3 325.365 1.803 20 5 EDBDHN CC(C)(C)NC(=O)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570564120 321347931 /nfs/dbraw/zinc/34/79/31/321347931.db2.gz HSADAWPMJFPUAD-CYBMUJFWSA-N 0 3 339.392 1.229 20 5 EDBDHN CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C[C@@H]21 ZINC000571392784 321385920 /nfs/dbraw/zinc/38/59/20/321385920.db2.gz IMSXPXONKQPONJ-DYVFJYSZSA-N 0 3 344.415 1.971 20 5 EDBDHN COCCN1CCC(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 ZINC000301108943 444145548 /nfs/dbraw/zinc/14/55/48/444145548.db2.gz KETCSJIUJABNPO-UHFFFAOYSA-N 0 3 347.375 1.125 20 5 EDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301963224 444198576 /nfs/dbraw/zinc/19/85/76/444198576.db2.gz NJELQLHRMYLKDV-AWEZNQCLSA-N 0 3 336.367 1.652 20 5 EDBDHN COCCN1CC[C@@H](Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000297045943 444270231 /nfs/dbraw/zinc/27/02/31/444270231.db2.gz IEJQHUTUIXHKTI-CYBMUJFWSA-N 0 3 337.376 1.443 20 5 EDBDHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CN4CCC[C@H]4CO3)cc2N1 ZINC000328396876 444386731 /nfs/dbraw/zinc/38/67/31/444386731.db2.gz OSQMVDKOXMTRAB-STQMWFEESA-N 0 3 346.387 1.755 20 5 EDBDHN CC[C@@H](NCCC(=O)N(C)CC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000342297508 444617784 /nfs/dbraw/zinc/61/77/84/444617784.db2.gz XIZATYYZCDQWEC-CQSZACIVSA-N 0 3 337.376 1.657 20 5 EDBDHN COC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000342300184 444618995 /nfs/dbraw/zinc/61/89/95/444618995.db2.gz CKDCCKHTAQXPAJ-CABCVRRESA-N 0 3 338.339 1.269 20 5 EDBDHN Cn1cc([C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)cn1 ZINC000342332109 444635845 /nfs/dbraw/zinc/63/58/45/444635845.db2.gz YJESWRGAKWHAOX-KGLIPLIRSA-N 0 3 336.396 1.263 20 5 EDBDHN Cc1nn(C)c(NCc2ccncc2OCCN(C)C)c1[N+](=O)[O-] ZINC000341026942 444639861 /nfs/dbraw/zinc/63/98/61/444639861.db2.gz CDRHZNOEERYBRG-UHFFFAOYSA-N 0 3 334.380 1.584 20 5 EDBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000334042261 444758553 /nfs/dbraw/zinc/75/85/53/444758553.db2.gz IWCRBPDYRRVFQP-QWRGUYRKSA-N 0 3 337.376 1.825 20 5 EDBDHN C[C@H]1[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CCCN1C ZINC000344232330 444853330 /nfs/dbraw/zinc/85/33/30/444853330.db2.gz GRSIBPMINANTGQ-QWHCGFSZSA-N 0 3 335.408 1.789 20 5 EDBDHN CN(C)C(=O)C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000341507888 444867798 /nfs/dbraw/zinc/86/77/98/444867798.db2.gz QYVOKGKXYYLPQC-AWEZNQCLSA-N 0 3 331.376 1.601 20 5 EDBDHN CC(=O)N[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000339183605 445078044 /nfs/dbraw/zinc/07/80/44/445078044.db2.gz CSXGFJOJQMLNKE-AWEZNQCLSA-N 0 3 348.403 1.832 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCCN1C ZINC000343448040 445224726 /nfs/dbraw/zinc/22/47/26/445224726.db2.gz PQSSQPXPYZMXFH-STQMWFEESA-N 0 3 343.387 1.993 20 5 EDBDHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCOC1 ZINC000348138459 445286481 /nfs/dbraw/zinc/28/64/81/445286481.db2.gz TVVRKPWFHLIPRA-JSGCOSHPSA-N 0 3 333.388 1.889 20 5 EDBDHN CC(C)N(CCN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)C ZINC000357053341 445397362 /nfs/dbraw/zinc/39/73/62/445397362.db2.gz OPLDBNUAYWHLPO-UHFFFAOYSA-N 0 3 338.408 1.334 20 5 EDBDHN CCN1CCN(CCNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000360158029 445601093 /nfs/dbraw/zinc/60/10/93/445601093.db2.gz QLRYIAJVDCQNHQ-UHFFFAOYSA-N 0 3 336.392 1.431 20 5 EDBDHN Cn1cc(CNC[C@@H]2CC[C@@H](CO)O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353694604 445711788 /nfs/dbraw/zinc/71/17/88/445711788.db2.gz ZEGUCZVBFNDJNA-HOTGVXAUSA-N 0 3 346.387 1.625 20 5 EDBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000358835450 445800497 /nfs/dbraw/zinc/80/04/97/445800497.db2.gz POODGAWKFHYICR-OAHLLOKOSA-N 0 3 344.371 1.420 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)CC[C@H]1C ZINC000354017726 445858043 /nfs/dbraw/zinc/85/80/43/445858043.db2.gz BWKIXCLILHYPLE-OLZOCXBDSA-N 0 3 348.403 1.266 20 5 EDBDHN COc1ccc(CNCCC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000350748594 445896462 /nfs/dbraw/zinc/89/64/62/445896462.db2.gz RAMRYHRDNPSHBT-UHFFFAOYSA-N 0 3 342.417 1.908 20 5 EDBDHN CNS(=O)(=O)c1ccc(N2CCN(C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000354091371 445896899 /nfs/dbraw/zinc/89/68/99/445896899.db2.gz KYZAOYSNVCQFIQ-NSHDSACASA-N 0 3 342.421 1.033 20 5 EDBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356734517 445976639 /nfs/dbraw/zinc/97/66/39/445976639.db2.gz WFJZGOXUDJVJCN-UHFFFAOYSA-N 0 3 337.405 1.594 20 5 EDBDHN CCc1noc([C@]2(O)CCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366843630 446379589 /nfs/dbraw/zinc/37/95/89/446379589.db2.gz LVKPOCOAAAIAFC-INIZCTEOSA-N 0 3 332.360 1.676 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000370729858 446407468 /nfs/dbraw/zinc/40/74/68/446407468.db2.gz LCFRCUVFKSDBMJ-QWRGUYRKSA-N 0 3 331.369 1.190 20 5 EDBDHN O=C(NC[C@H]1CCCN1CCCO)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452780642 446468651 /nfs/dbraw/zinc/46/86/51/446468651.db2.gz HMZZFVCZHDGIOR-LLVKDONJSA-N 0 3 341.795 1.825 20 5 EDBDHN O=C1CC[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C2(CCC2)N1 ZINC000367033098 446477657 /nfs/dbraw/zinc/47/76/57/446477657.db2.gz HOVPGDGMRXKYTQ-AWEZNQCLSA-N 0 3 347.371 1.752 20 5 EDBDHN C[C@@]1(F)CNCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420324738 446491487 /nfs/dbraw/zinc/49/14/87/446491487.db2.gz CKOFBNQYNHWRRV-GDBMZVCRSA-N 0 3 336.367 1.334 20 5 EDBDHN CC1(C)CCCN[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411738 446523458 /nfs/dbraw/zinc/52/34/58/446523458.db2.gz GFZMXERCTLWOIE-SWLSCSKDSA-N 0 3 347.419 1.781 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000411578322 446615374 /nfs/dbraw/zinc/61/53/74/446615374.db2.gz AKALCOZSBMMRCU-DOMZBBRYSA-N 0 3 346.387 1.313 20 5 EDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418762865 446682223 /nfs/dbraw/zinc/68/22/23/446682223.db2.gz MKPFBVDRGVJUMG-CYBMUJFWSA-N 0 3 342.346 1.776 20 5 EDBDHN CCc1nn(C)c(N2CCCN(CCCOC)CC2)c1[N+](=O)[O-] ZINC000371466136 446873434 /nfs/dbraw/zinc/87/34/34/446873434.db2.gz LPZRACOOOKEUHT-UHFFFAOYSA-N 0 3 325.413 1.439 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)CC[C@@H]1C ZINC000421007438 446980446 /nfs/dbraw/zinc/98/04/46/446980446.db2.gz HLPOESVCTTUYAN-WCQYABFASA-N 0 3 337.376 1.777 20 5 EDBDHN CC[C@H](NC(=O)C(=O)N[C@H](CN)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000419167542 446983987 /nfs/dbraw/zinc/98/39/87/446983987.db2.gz PPWPCVAPEASITG-UONOGXRCSA-N 0 3 334.376 1.016 20 5 EDBDHN CN1CCN(CCCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413028738 446986502 /nfs/dbraw/zinc/98/65/02/446986502.db2.gz DUBCBLUZIBFFQK-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EDBDHN CON1CCC(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000421212050 447069157 /nfs/dbraw/zinc/06/91/57/447069157.db2.gz WLISDBWRPCQPFG-GFCCVEGCSA-N 0 3 336.392 1.846 20 5 EDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000375966345 447180597 /nfs/dbraw/zinc/18/05/97/447180597.db2.gz YXCSISFKZHLCJG-MRXNPFEDSA-N 0 3 326.356 1.794 20 5 EDBDHN CN(C[C@@H]1CCCN1C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000421713906 447230167 /nfs/dbraw/zinc/23/01/67/447230167.db2.gz UGBGUQVEMGTSBA-ZDUSSCGKSA-N 0 3 349.387 1.461 20 5 EDBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455842798 447240529 /nfs/dbraw/zinc/24/05/29/447240529.db2.gz JZBWQCFDKZLIPR-NWDGAFQWSA-N 0 3 333.392 1.730 20 5 EDBDHN CN(C)CC(C)(C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000459550722 447704316 /nfs/dbraw/zinc/70/43/16/447704316.db2.gz QKMZJVSVCIJWEL-UHFFFAOYSA-N 0 3 329.422 1.298 20 5 EDBDHN COCCNCCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420216242 447673761 /nfs/dbraw/zinc/67/37/61/447673761.db2.gz DCMJSESFWZEFEZ-UHFFFAOYSA-N 0 3 338.408 1.075 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459648024 447731526 /nfs/dbraw/zinc/73/15/26/447731526.db2.gz BPDTXTPUVWMFOU-YCPHGPKFSA-N 0 3 348.399 1.835 20 5 EDBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530545373 447911083 /nfs/dbraw/zinc/91/10/83/447911083.db2.gz XLFGPBBJSRBXLZ-UHFFFAOYSA-N 0 3 342.421 1.486 20 5 EDBDHN COCCN1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491224938 447965502 /nfs/dbraw/zinc/96/55/02/447965502.db2.gz PRZWLHVTXADQNZ-SREVYHEPSA-N 0 3 333.388 1.789 20 5 EDBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525183005 447974403 /nfs/dbraw/zinc/97/44/03/447974403.db2.gz HUMSWULFIKYGLM-LBPRGKRZSA-N 0 3 342.421 1.485 20 5 EDBDHN Cc1cnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)c([N+](=O)[O-])c1 ZINC000532093133 448200603 /nfs/dbraw/zinc/20/06/03/448200603.db2.gz XBZXDMVJBJMTHM-HNNXBMFYSA-N 0 3 333.436 1.903 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000591012879 448230223 /nfs/dbraw/zinc/23/02/23/448230223.db2.gz YICUASWDSGHSKV-AWEZNQCLSA-N 0 3 346.387 1.442 20 5 EDBDHN CCNC(=O)N1CC[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000583079699 448417982 /nfs/dbraw/zinc/41/79/82/448417982.db2.gz GUOPMUFTROIKJW-LBPRGKRZSA-N 0 3 349.391 1.317 20 5 EDBDHN CCC[C@@H](C)[C@H](CO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000583086956 448421487 /nfs/dbraw/zinc/42/14/87/448421487.db2.gz BOAQQPCYJSYCGB-DOMZBBRYSA-N 0 3 335.404 1.871 20 5 EDBDHN CS(=O)(=O)N1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000579239090 448750573 /nfs/dbraw/zinc/75/05/73/448750573.db2.gz IXDQSYVWXHKBDX-DOMZBBRYSA-N 0 3 339.417 1.596 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000574517906 448893027 /nfs/dbraw/zinc/89/30/27/448893027.db2.gz OKFANJKWRHYOSM-CQSZACIVSA-N 0 3 344.375 1.431 20 5 EDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860115 448941753 /nfs/dbraw/zinc/94/17/53/448941753.db2.gz DRIGQVVADFQQFV-KGLIPLIRSA-N 0 3 348.403 1.064 20 5 EDBDHN Cc1sc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590400711 449149208 /nfs/dbraw/zinc/14/92/08/449149208.db2.gz YGFIJSAYLOUVND-YPMHNXCESA-N 0 3 339.417 1.900 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](N(C)C)[C@@H]1C ZINC000590589901 449205479 /nfs/dbraw/zinc/20/54/79/449205479.db2.gz SKPYWRJGTXVDBF-RYUDHWBXSA-N 0 3 327.406 1.616 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000590590590 449206170 /nfs/dbraw/zinc/20/61/70/449206170.db2.gz ZNIDLESFDXAXHM-PWSUYJOCSA-N 0 3 343.405 1.317 20 5 EDBDHN Cc1cccc(CN2CC[C@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000601850447 449182914 /nfs/dbraw/zinc/18/29/14/449182914.db2.gz NLLRZPIJEVRCMD-HNNXBMFYSA-N 0 3 343.387 1.490 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000611242528 449233874 /nfs/dbraw/zinc/23/38/74/449233874.db2.gz OJBZGBXGOLAIHB-HNNXBMFYSA-N 0 3 348.403 1.522 20 5 EDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)[C@H](CN)C(F)(F)F ZINC000595908636 449246262 /nfs/dbraw/zinc/24/62/62/449246262.db2.gz ODOICICUBOLXCX-GZMMTYOYSA-N 0 3 334.298 1.743 20 5 EDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000593386301 449257155 /nfs/dbraw/zinc/25/71/55/449257155.db2.gz UULYGBFAIKUVKT-UHFFFAOYSA-N 0 3 331.376 1.439 20 5 EDBDHN COCCN1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593418180 449274094 /nfs/dbraw/zinc/27/40/94/449274094.db2.gz BAHAHQMSXRSIMG-UHFFFAOYSA-N 0 3 339.367 1.503 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000590767504 449287610 /nfs/dbraw/zinc/28/76/10/449287610.db2.gz GJVRWCSLSOSRNC-LRDDRELGSA-N 0 3 341.371 1.761 20 5 EDBDHN CCOc1cc(N2CCN(CCN(C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593486096 449304414 /nfs/dbraw/zinc/30/44/14/449304414.db2.gz KBUFPPVFJKIKBE-UHFFFAOYSA-N 0 3 336.392 1.204 20 5 EDBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1=O ZINC000593486259 449306165 /nfs/dbraw/zinc/30/61/65/449306165.db2.gz SDWLRDUGSMAIKY-UHFFFAOYSA-N 0 3 343.387 1.353 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN([C@@H]3CCCN(C)C3)CC2)n1 ZINC000611616441 449360333 /nfs/dbraw/zinc/36/03/33/449360333.db2.gz PJQJUQDAOPMKNT-OAHLLOKOSA-N 0 3 333.436 1.823 20 5 EDBDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611554488 449335546 /nfs/dbraw/zinc/33/55/46/449335546.db2.gz RUDGFANNPNQVQA-FOGDFJRCSA-N 0 3 336.314 1.815 20 5 EDBDHN CCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000596177828 449398445 /nfs/dbraw/zinc/39/84/45/449398445.db2.gz HRUVPMUMIARUDV-ZDUSSCGKSA-N 0 3 336.392 1.839 20 5 EDBDHN Cc1n[n-]c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598507594 449433037 /nfs/dbraw/zinc/43/30/37/449433037.db2.gz CIWZDTGLDSLRQK-ZDUSSCGKSA-N 0 3 329.360 1.631 20 5 EDBDHN Cc1n[n-]c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598507594 449433043 /nfs/dbraw/zinc/43/30/43/449433043.db2.gz CIWZDTGLDSLRQK-ZDUSSCGKSA-N 0 3 329.360 1.631 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCN1 ZINC000598572862 449472108 /nfs/dbraw/zinc/47/21/08/449472108.db2.gz MASAHVBPFYJLRC-INIZCTEOSA-N 0 3 343.387 1.851 20 5 EDBDHN C[C@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000594393819 449490458 /nfs/dbraw/zinc/49/04/58/449490458.db2.gz RDTBXJIGXARIFK-WCFLWFBJSA-N 0 3 337.351 1.115 20 5 EDBDHN Cc1sc(S(=O)(=O)[N-]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594476775 449542424 /nfs/dbraw/zinc/54/24/24/449542424.db2.gz ZUBAMNIVLVZQFE-AOOOYVTPSA-N 0 3 333.435 1.583 20 5 EDBDHN CCOc1cc(N(CCN(C)C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000596464848 449516430 /nfs/dbraw/zinc/51/64/30/449516430.db2.gz ZAWXUHBWUXXZEA-UHFFFAOYSA-N 0 3 338.408 1.450 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)nc1-c1ccccc1 ZINC000594601658 449590303 /nfs/dbraw/zinc/59/03/03/449590303.db2.gz FTTLLDURELRQHQ-LSDHHAIUSA-N 0 3 340.383 1.912 20 5 EDBDHN CN(C)C1(CN(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])CCC1 ZINC000594769915 449683373 /nfs/dbraw/zinc/68/33/73/449683373.db2.gz BXUFJFRKFNJFGS-UHFFFAOYSA-N 0 3 328.394 1.095 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC[C@@H]2CCO2)cc1 ZINC000602617161 449707141 /nfs/dbraw/zinc/70/71/41/449707141.db2.gz XUQWXUMBHREHPP-CYBMUJFWSA-N 0 3 328.390 1.527 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC[C@H]2CCO2)cc1 ZINC000602617164 449708968 /nfs/dbraw/zinc/70/89/68/449708968.db2.gz XUQWXUMBHREHPP-ZDUSSCGKSA-N 0 3 328.390 1.527 20 5 EDBDHN C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)C(F)(F)F ZINC000602741334 449777314 /nfs/dbraw/zinc/77/73/14/449777314.db2.gz ARPABSOBXOTSGK-RNCFNFMXSA-N 0 3 348.325 1.860 20 5 EDBDHN COC1CCN(CCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000617746242 449813680 /nfs/dbraw/zinc/81/36/80/449813680.db2.gz IAENETPSEFNGIK-ZDUSSCGKSA-N 0 3 335.404 1.925 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCNS(C)(=O)=O ZINC000595004976 449839659 /nfs/dbraw/zinc/83/96/59/449839659.db2.gz VLHWDWZINUFDST-JTQLQIEISA-N 0 3 331.394 1.193 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(C(N)=O)CCOCC1 ZINC000595008268 449840008 /nfs/dbraw/zinc/84/00/08/449840008.db2.gz UFGWWRGEKGYNRT-NSHDSACASA-N 0 3 337.376 1.536 20 5 EDBDHN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000595129568 449888323 /nfs/dbraw/zinc/88/83/23/449888323.db2.gz CYOMIQLOPYAIKY-CQSZACIVSA-N 0 3 334.376 1.476 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCn1cc(CO)nn1 ZINC000595053726 449850306 /nfs/dbraw/zinc/85/03/06/449850306.db2.gz YNVCOOSMZKGTRE-LLVKDONJSA-N 0 3 335.364 1.428 20 5 EDBDHN CCc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000601420215 449936776 /nfs/dbraw/zinc/93/67/76/449936776.db2.gz CEGWFJRTRCUVHX-SMDDNHRTSA-N 0 3 341.433 1.870 20 5 EDBDHN N[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260710 449982918 /nfs/dbraw/zinc/98/29/18/449982918.db2.gz JWTQRSNGVBFIAY-VXGBXAGGSA-N 0 3 333.323 1.292 20 5 EDBDHN NS(=O)(=O)c1ccc(N[C@@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384328 450021058 /nfs/dbraw/zinc/02/10/58/450021058.db2.gz KABMDWUADWMEOK-LLVKDONJSA-N 0 3 340.405 1.138 20 5 EDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599626713 450113870 /nfs/dbraw/zinc/11/38/70/450113870.db2.gz ZCIJBLFFMNFWCV-KVFJLYFUSA-N 0 3 333.388 1.885 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000595447306 450148442 /nfs/dbraw/zinc/14/84/42/450148442.db2.gz GWDFMQKEEZAZFG-CYBMUJFWSA-N 0 3 336.392 1.887 20 5 EDBDHN CC(C)[NH+](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C ZINC000610212067 450154452 /nfs/dbraw/zinc/15/44/52/450154452.db2.gz JRFLTEIRBDZKKA-UHFFFAOYSA-N 0 3 330.410 1.387 20 5 EDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCN(CC2CCC2)CC1 ZINC000619868444 450347353 /nfs/dbraw/zinc/34/73/53/450347353.db2.gz ZDJNBWDSGFDXIT-UHFFFAOYSA-N 0 3 335.408 1.516 20 5 EDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619481974 450485386 /nfs/dbraw/zinc/48/53/86/450485386.db2.gz BPQMFCXAAJFXNS-LLVKDONJSA-N 0 3 345.421 1.612 20 5 EDBDHN O=C(NCCN1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000047141194 491166829 /nfs/dbraw/zinc/16/68/29/491166829.db2.gz YUGGDWONDMNHFN-UHFFFAOYSA-N 0 3 343.387 1.996 20 5 EDBDHN CCN1CCN(c2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)CC1 ZINC000187404846 527710795 /nfs/dbraw/zinc/71/07/95/527710795.db2.gz HQKKMFUPCILOKH-UHFFFAOYSA-N 0 3 344.375 1.712 20 5 EDBDHN CC(C)[C@@](C)(CO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000352920478 535309896 /nfs/dbraw/zinc/30/98/96/535309896.db2.gz ZZVOKZCPUJMWTB-OAHLLOKOSA-N 0 3 339.348 1.259 20 5 EDBDHN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000347956631 535804073 /nfs/dbraw/zinc/80/40/73/535804073.db2.gz MQGYOXLPVBXZSB-SWLSCSKDSA-N 0 3 342.417 1.773 20 5 EDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000252656856 536469990 /nfs/dbraw/zinc/46/99/90/536469990.db2.gz WGQNLPPAECIXTI-DZGCQCFKSA-N 0 3 332.404 1.949 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000353179240 536476754 /nfs/dbraw/zinc/47/67/54/536476754.db2.gz DKSIXWJWJLIECI-MNOVXSKESA-N 0 3 326.349 1.396 20 5 EDBDHN COc1ccc(F)cc1[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000271656067 536634125 /nfs/dbraw/zinc/63/41/25/536634125.db2.gz JYFZVTDUJDJKGC-ZWNOBZJWSA-N 0 3 338.339 1.651 20 5 EDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000741579884 579421196 /nfs/dbraw/zinc/42/11/96/579421196.db2.gz QZUZAEOAKWDHIC-IUODEOHRSA-N 0 3 345.403 1.743 20 5 EDBDHN O=Cc1ccc(OCC(=O)N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000731619277 578677203 /nfs/dbraw/zinc/67/72/03/578677203.db2.gz VAKHORDCPMUHHN-LBPRGKRZSA-N 0 3 333.344 1.139 20 5 EDBDHN CN1CCN(CC2(C)CCN(Cn3nccc3[N+](=O)[O-])CC2)CC1 ZINC000758254081 579978561 /nfs/dbraw/zinc/97/85/61/579978561.db2.gz QFQWMTHXGNYGEA-UHFFFAOYSA-N 0 3 336.440 1.098 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778295974 580461143 /nfs/dbraw/zinc/46/11/43/580461143.db2.gz YVBCSIPHHLLMHE-VIFPVBQESA-N 0 3 335.389 1.671 20 5 EDBDHN CC(C)N1CCO[C@@H](C(=N)NOCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000779649670 580492819 /nfs/dbraw/zinc/49/28/19/580492819.db2.gz KDMZOCQOMGKBMJ-CQSZACIVSA-N 0 3 340.355 1.842 20 5 EDBDHN COc1cc(OCC(=O)NCCN2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000783919422 580608238 /nfs/dbraw/zinc/60/82/38/580608238.db2.gz XSZODZXUFHZFPC-LBPRGKRZSA-N 0 3 337.376 1.583 20 5 EDBDHN CN(C)CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000895324548 591713741 /nfs/dbraw/zinc/71/37/41/591713741.db2.gz IOBIAHJXRGEZEP-GFCCVEGCSA-N 0 3 341.433 1.776 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3[C@H]2CCCN3CCO)s1 ZINC000897220561 591774077 /nfs/dbraw/zinc/77/40/77/591774077.db2.gz XNQUBUDSFDOGCX-NWDGAFQWSA-N 0 3 349.416 1.635 20 5 EDBDHN COC[C@@H]1CNCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000900448723 592020973 /nfs/dbraw/zinc/02/09/73/592020973.db2.gz AZHGOHJVDXZAAW-JTQLQIEISA-N 0 3 330.182 1.782 20 5 EDBDHN CN(C)CCn1nccc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000908052646 592290593 /nfs/dbraw/zinc/29/05/93/592290593.db2.gz FWUBGNZLTLRLRU-UHFFFAOYSA-N 0 3 345.403 1.668 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000905446293 592528619 /nfs/dbraw/zinc/52/86/19/592528619.db2.gz FOYMQJRSELLYEL-NXEZZACHSA-N 0 3 344.236 1.776 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)OCC1CCN(Cc2ccco2)CC1 ZINC000772689794 593454998 /nfs/dbraw/zinc/45/49/98/593454998.db2.gz GQKRBYZAZUWROJ-UHFFFAOYSA-N 0 3 348.359 1.840 20 5 EDBDHN COCCOc1cn(-c2ccccc2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115684 593519143 /nfs/dbraw/zinc/51/91/43/593519143.db2.gz XQPADSAOFCYGTA-LBPRGKRZSA-N 0 3 349.343 1.720 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000817490065 593607528 /nfs/dbraw/zinc/60/75/28/593607528.db2.gz LPSYSAOUVZHOSN-LBPRGKRZSA-N 0 3 336.348 1.978 20 5 EDBDHN O=C(NCCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000818955790 593730390 /nfs/dbraw/zinc/73/03/90/593730390.db2.gz DXAGSHKYQHJNFX-OAHLLOKOSA-N 0 3 330.344 1.043 20 5 EDBDHN CC1(C)OC[C@@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000819155671 593741959 /nfs/dbraw/zinc/74/19/59/593741959.db2.gz OYPGVQGELYBDTK-TZMCWYRMSA-N 0 3 326.349 1.076 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nc(N3CCNCC3)no2)ccc1NC1CC1 ZINC000823309950 594183633 /nfs/dbraw/zinc/18/36/33/594183633.db2.gz QNSOQNDNWRKPJR-UHFFFAOYSA-N 0 3 330.348 1.629 20 5 EDBDHN O=C1CC[C@@H](N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CCN1 ZINC000829352484 594601089 /nfs/dbraw/zinc/60/10/89/594601089.db2.gz NXIBLPLFSTYJOV-GFCCVEGCSA-N 0 3 336.367 1.525 20 5 EDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1N(C)C ZINC000831299785 594603068 /nfs/dbraw/zinc/60/30/68/594603068.db2.gz MXMFQXCGVSFSID-STQMWFEESA-N 0 3 327.381 1.852 20 5 EDBDHN CCO[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])CN(C)C ZINC000831693570 594693129 /nfs/dbraw/zinc/69/31/29/594693129.db2.gz ALRMEXIMVRSHHG-AWEZNQCLSA-N 0 3 341.383 1.749 20 5 EDBDHN CCO[C@@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])CN(C)C ZINC000831737682 594697937 /nfs/dbraw/zinc/69/79/37/594697937.db2.gz KKETZMXNLPHFES-LBPRGKRZSA-N 0 3 327.356 1.739 20 5 EDBDHN CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)CN(C)C ZINC000831751582 594699431 /nfs/dbraw/zinc/69/94/31/594699431.db2.gz NNPCMYRJMOHSJM-GFCCVEGCSA-N 0 3 325.365 1.300 20 5 EDBDHN COCCN(C)CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836585742 594977193 /nfs/dbraw/zinc/97/71/93/594977193.db2.gz RIDISPHHJWMWEZ-UHFFFAOYSA-N 0 3 329.784 1.865 20 5 EDBDHN CC([C@H](OC(=O)CN1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873302 595085101 /nfs/dbraw/zinc/08/51/01/595085101.db2.gz CHYCASCXAOPTCQ-ABAIWWIYSA-N 0 3 326.324 1.407 20 5 EDBDHN CC([C@H](OC(=O)CN(C)C(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845874707 595085801 /nfs/dbraw/zinc/08/58/01/595085801.db2.gz IKGGWZMAKDVRMN-BMIGLBTASA-N 0 3 338.335 1.944 20 5 EDBDHN CNC(=O)NCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879291 595086326 /nfs/dbraw/zinc/08/63/26/595086326.db2.gz IMLRMGIDOYLTLO-ZANVPECISA-N 0 3 327.312 1.394 20 5 EDBDHN CC([C@@H](OC(=O)CCn1cnccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845882633 595087761 /nfs/dbraw/zinc/08/77/61/595087761.db2.gz PGVVSWXOBWOJII-BDJLRTHQSA-N 0 3 349.318 1.722 20 5 EDBDHN C/C(=C/C(=O)N1CCC[C@](O)(CN(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000834565280 595163943 /nfs/dbraw/zinc/16/39/43/595163943.db2.gz SOOJUPLKFLWGTP-RMHQSFGDSA-N 0 3 347.415 1.913 20 5 EDBDHN Cc1ccc([C@@H](O)CNC[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000843088807 595284656 /nfs/dbraw/zinc/28/46/56/595284656.db2.gz QBQSGRDEBVVHBB-JSGCOSHPSA-N 0 3 336.344 1.559 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H](O)c2ccccn2)c1 ZINC000843091742 595285191 /nfs/dbraw/zinc/28/51/91/595285191.db2.gz ANMMXXDOFASVRN-CZUORRHYSA-N 0 3 333.344 1.053 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H](O)Cc2cccc(F)c2)c1 ZINC000843101606 595287791 /nfs/dbraw/zinc/28/77/91/595287791.db2.gz NHKYNAFDQXIJNC-DLBZAZTESA-N 0 3 334.347 1.961 20 5 EDBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847103713 595363848 /nfs/dbraw/zinc/36/38/48/595363848.db2.gz YNUIHKICRWXTMN-WDEREUQCSA-N 0 3 340.767 1.531 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC[N@@H+](C)C2)cc1F ZINC000867374682 595410055 /nfs/dbraw/zinc/41/00/55/595410055.db2.gz KLUDOOYHZGJOSQ-JTQLQIEISA-N 0 3 331.369 1.272 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](C)C2)cc1F ZINC000867374682 595410056 /nfs/dbraw/zinc/41/00/56/595410056.db2.gz KLUDOOYHZGJOSQ-JTQLQIEISA-N 0 3 331.369 1.272 20 5 EDBDHN O=C([N-][C@H]1CC12CC[NH2+]CC2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763343 595599071 /nfs/dbraw/zinc/59/90/71/595599071.db2.gz YFJLKJHGOGWIAB-LBPRGKRZSA-N 0 3 341.314 1.825 20 5 EDBDHN O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000852435965 596161079 /nfs/dbraw/zinc/16/10/79/596161079.db2.gz URGFJVGFVKZDET-CQSZACIVSA-N 0 3 348.359 1.450 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCN2C)C1 ZINC000867813725 596565404 /nfs/dbraw/zinc/56/54/04/596565404.db2.gz YMTIXLLBFVGXQU-OCCSQVGLSA-N 0 3 339.417 1.618 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(NC[C@@H]2CN3CCC[C@H]3CO2)cc1F ZINC000865484757 596588063 /nfs/dbraw/zinc/58/80/63/596588063.db2.gz IPUSCPLUPPKLCP-NWDGAFQWSA-N 0 3 325.340 1.501 20 5 EDBDHN C[C@H](CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)N(C)C1CC1 ZINC000863504123 596603452 /nfs/dbraw/zinc/60/34/52/596603452.db2.gz ZLOVJQYOBSHYEV-DIFFPNOSSA-N 0 3 346.387 1.845 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@]12COC(=O)N1CCOC2 ZINC000865770458 596676635 /nfs/dbraw/zinc/67/66/35/596676635.db2.gz MAVGPGDDAJBOHM-KYTCBBFDSA-N 0 3 347.371 1.809 20 5 EDBDHN COc1cc(NC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000865887991 596711181 /nfs/dbraw/zinc/71/11/81/596711181.db2.gz XIPRFJVLQVTXCJ-GFCCVEGCSA-N 0 3 339.392 1.871 20 5 EDBDHN O=C(CN[C@]12CCC[C@H]1OCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000872314509 596878908 /nfs/dbraw/zinc/87/89/08/596878908.db2.gz GXXMTGOWCBFDNN-WBVHZDCISA-N 0 3 331.372 1.785 20 5 EDBDHN CN1CCC[C@H]2[C@@H]1CCN2c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000872779056 597064174 /nfs/dbraw/zinc/06/41/74/597064174.db2.gz DKHNFKVXKNJJNB-KBPBESRZSA-N 0 3 329.360 1.917 20 5 EDBDHN CC1(N2CCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000882769835 598051434 /nfs/dbraw/zinc/05/14/34/598051434.db2.gz NRJCEZOIVGGBMX-UHFFFAOYSA-N 0 3 339.417 1.844 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000916666332 696716314 /nfs/dbraw/zinc/71/63/14/696716314.db2.gz HYSDXSAVQXYFCM-OLZOCXBDSA-N 0 3 339.417 1.475 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)CC2(C)CC2)CC1 ZINC000997915118 704978723 /nfs/dbraw/zinc/97/87/23/704978723.db2.gz IWLFYZLJROVBSY-UHFFFAOYSA-N 0 3 349.435 1.847 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCSc3ccccc32)c1 ZINC000559683024 306257657 /nfs/dbraw/zinc/25/76/57/306257657.db2.gz HFGMDTUUCKHGIX-JSGCOSHPSA-N 0 3 334.401 1.979 20 5 EDBDHN COc1cc(OCC(=O)NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000068846904 138196540 /nfs/dbraw/zinc/19/65/40/138196540.db2.gz ZVXMBBFEDPIPBE-UHFFFAOYSA-N 0 3 349.387 1.725 20 5 EDBDHN CC(C)NC(=O)[C@@H](C)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414329880 304107234 /nfs/dbraw/zinc/10/72/34/304107234.db2.gz BQUXXORVHWCFNR-VXGBXAGGSA-N 0 3 336.392 1.815 20 5 EDBDHN CC[C@H](C)[C@@H](N)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000195140052 139007763 /nfs/dbraw/zinc/00/77/63/139007763.db2.gz WXIQXUUIYRBDSY-ZUZCIYMTSA-N 0 3 339.392 1.644 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@H](C)CN1 ZINC000237375749 139049609 /nfs/dbraw/zinc/04/96/09/139049609.db2.gz JAPBAGLDYBBENZ-VXGBXAGGSA-N 0 3 329.360 1.603 20 5 EDBDHN CCCc1n[n-]c(C(=O)NCCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000130407895 205237615 /nfs/dbraw/zinc/23/76/15/205237615.db2.gz LPCMIBLTDFMUIN-UHFFFAOYSA-N 0 3 334.380 1.986 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000132618183 205334744 /nfs/dbraw/zinc/33/47/44/205334744.db2.gz KYAIMNXEZTYANR-JSGCOSHPSA-N 0 3 343.387 1.958 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000237647166 139056887 /nfs/dbraw/zinc/05/68/87/139056887.db2.gz CXPHEDUEOKCBOS-UHFFFAOYSA-N 0 3 333.797 1.541 20 5 EDBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159569147 206252881 /nfs/dbraw/zinc/25/28/81/206252881.db2.gz XTHDELMEKDCLAX-UHFFFAOYSA-N 0 3 335.339 1.661 20 5 EDBDHN N[C@@H]1C[C@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000568415209 306481150 /nfs/dbraw/zinc/48/11/50/306481150.db2.gz KZHBJESFENSVDP-WCBMZHEXSA-N 0 3 345.186 1.650 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000248927210 139180956 /nfs/dbraw/zinc/18/09/56/139180956.db2.gz XIXCUWCZWPUFLW-DGCLKSJQSA-N 0 3 329.360 1.568 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000248927210 139180957 /nfs/dbraw/zinc/18/09/57/139180957.db2.gz XIXCUWCZWPUFLW-DGCLKSJQSA-N 0 3 329.360 1.568 20 5 EDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000253357501 139206062 /nfs/dbraw/zinc/20/60/62/139206062.db2.gz BPFZDCTZXKKHHC-OLZOCXBDSA-N 0 3 348.403 1.770 20 5 EDBDHN Cn1ccnc1[C@H]1CNCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000261725233 139220850 /nfs/dbraw/zinc/22/08/50/139220850.db2.gz IUYZWQVJMJHMKW-OAHLLOKOSA-N 0 3 331.376 1.354 20 5 EDBDHN N[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261848987 139231184 /nfs/dbraw/zinc/23/11/84/139231184.db2.gz VCGFMUQMYFTPQJ-DLBZAZTESA-N 0 3 341.367 1.927 20 5 EDBDHN COc1cccc([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000174711400 207048739 /nfs/dbraw/zinc/04/87/39/207048739.db2.gz NNJLGDKIPJMWAA-DOTOQJQBSA-N 0 3 346.387 1.998 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000262498117 139282600 /nfs/dbraw/zinc/28/26/00/139282600.db2.gz LRBYAVPOUKJEPU-SNVBAGLBSA-N 0 3 329.378 1.024 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1CN1CCOCC1 ZINC000075890222 285164654 /nfs/dbraw/zinc/16/46/54/285164654.db2.gz RGSSDNUIUVNAPB-HNNXBMFYSA-N 0 3 335.404 1.770 20 5 EDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000263743298 139357244 /nfs/dbraw/zinc/35/72/44/139357244.db2.gz WDQKOGQIPIYWNX-HNNXBMFYSA-N 0 3 348.403 1.267 20 5 EDBDHN CC[C@]1(O)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000495225769 255274110 /nfs/dbraw/zinc/27/41/10/255274110.db2.gz ATIJLDCRBZWDHD-INIZCTEOSA-N 0 3 335.360 1.740 20 5 EDBDHN CCCCN(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118114852 221119744 /nfs/dbraw/zinc/11/97/44/221119744.db2.gz MCNXUTSHGZJUKB-UHFFFAOYSA-N 0 3 336.392 1.690 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N(C)C[C@@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000264173093 139384480 /nfs/dbraw/zinc/38/44/80/139384480.db2.gz CPLMMUUTMMWWHD-GFCCVEGCSA-N 0 3 349.387 1.795 20 5 EDBDHN CS[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@@H]1N(C)C ZINC000270764462 140164419 /nfs/dbraw/zinc/16/44/19/140164419.db2.gz PLUSIYQHCCRPDN-STQMWFEESA-N 0 3 338.433 1.603 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000271517840 140306047 /nfs/dbraw/zinc/30/60/47/140306047.db2.gz ZOYSOUCPPLEDHI-GWCFXTLKSA-N 0 3 345.396 1.613 20 5 EDBDHN Cc1c(C(=O)NCC2=CCN(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000271927649 140374108 /nfs/dbraw/zinc/37/41/08/140374108.db2.gz LSBUHSOOPSZLND-UHFFFAOYSA-N 0 3 334.332 1.803 20 5 EDBDHN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1CC(C)(C)O ZINC000332218470 141142181 /nfs/dbraw/zinc/14/21/81/141142181.db2.gz IKSAEJAXFRLFBB-GFCCVEGCSA-N 0 3 347.419 1.748 20 5 EDBDHN CCN1CC[C@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339393592 142035538 /nfs/dbraw/zinc/03/55/38/142035538.db2.gz KLWPYFRUMTVENE-NVXWUHKLSA-N 0 3 335.404 1.769 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCN1C ZINC000344989096 143035959 /nfs/dbraw/zinc/03/59/59/143035959.db2.gz VULPHMQLJRGZNF-LRDDRELGSA-N 0 3 348.403 1.850 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCN1C ZINC000345126491 143053922 /nfs/dbraw/zinc/05/39/22/143053922.db2.gz HJERHBXGJMXBIH-QWHCGFSZSA-N 0 3 348.403 1.850 20 5 EDBDHN C[C@H](CN(C)C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000346136798 143171292 /nfs/dbraw/zinc/17/12/92/143171292.db2.gz LNCKCKYGSORZMH-LLVKDONJSA-N 0 3 331.376 1.675 20 5 EDBDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000346469359 143208179 /nfs/dbraw/zinc/20/81/79/143208179.db2.gz BBOMJIRLTCGXHG-FZMZJTMJSA-N 0 3 343.405 1.030 20 5 EDBDHN CN(C[C@H]1CCN(C)[C@@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354974871 150061549 /nfs/dbraw/zinc/06/15/49/150061549.db2.gz OFNZOLBBJSNSJB-IUODEOHRSA-N 0 3 344.375 1.478 20 5 EDBDHN CN1CCC(CCO)(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000357528985 151057943 /nfs/dbraw/zinc/05/79/43/151057943.db2.gz XUJGLNNESARMRH-UHFFFAOYSA-N 0 3 335.404 1.490 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000358076156 151261288 /nfs/dbraw/zinc/26/12/88/151261288.db2.gz VBAKUZBOCYTZEG-QGZVFWFLSA-N 0 3 335.404 1.689 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCCN1CCC(O)CC1 ZINC000358427184 151371489 /nfs/dbraw/zinc/37/14/89/151371489.db2.gz VHKAXEXJPQKUHW-UHFFFAOYSA-N 0 3 339.367 1.239 20 5 EDBDHN Cc1nn(C)c(C(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000364302697 153200633 /nfs/dbraw/zinc/20/06/33/153200633.db2.gz IAZSEEUQPAOGPQ-CHWSQXEVSA-N 0 3 347.350 1.343 20 5 EDBDHN CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000364342197 153210044 /nfs/dbraw/zinc/21/00/44/153210044.db2.gz IEUQBKDJRRARGE-GJZGRUSLSA-N 0 3 335.408 1.657 20 5 EDBDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000364959363 153383937 /nfs/dbraw/zinc/38/39/37/153383937.db2.gz ZGCXDCJGKDONTO-KCXAZCMYSA-N 0 3 333.388 1.950 20 5 EDBDHN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000367137926 154020018 /nfs/dbraw/zinc/02/00/18/154020018.db2.gz DRWDWZVEUNQOCN-HZPDHXFCSA-N 0 3 348.403 1.232 20 5 EDBDHN O=C([C@@H]1CC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2)N1CCCC1 ZINC000367391220 154101191 /nfs/dbraw/zinc/10/11/91/154101191.db2.gz ZXOHLZHHGUNPMP-HNNXBMFYSA-N 0 3 347.419 1.516 20 5 EDBDHN O=C([C@H]1CC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2)N1CCCC1 ZINC000367391221 154101883 /nfs/dbraw/zinc/10/18/83/154101883.db2.gz ZXOHLZHHGUNPMP-OAHLLOKOSA-N 0 3 347.419 1.516 20 5 EDBDHN COc1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000374272848 157223016 /nfs/dbraw/zinc/22/30/16/157223016.db2.gz RMJBPQJHYKDIIX-LRDDRELGSA-N 0 3 338.360 1.737 20 5 EDBDHN COc1ccc2c(c1)CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374369902 157262611 /nfs/dbraw/zinc/26/26/11/157262611.db2.gz ZLCVFHLPDMZKRA-MRXNPFEDSA-N 0 3 346.387 1.262 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCN1CCCC1=O ZINC000112703711 287341053 /nfs/dbraw/zinc/34/10/53/287341053.db2.gz GCZHECWLDQNIQU-UHFFFAOYSA-N 0 3 348.403 1.786 20 5 EDBDHN O=[N+]([O-])c1cnc(NCc2ccccc2CN2CC[C@H](O)C2)nc1 ZINC000273904318 268091575 /nfs/dbraw/zinc/09/15/75/268091575.db2.gz IDBJJLSLEMCTFH-HNNXBMFYSA-N 0 3 329.360 1.564 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@H](C)CO ZINC000274035452 268100810 /nfs/dbraw/zinc/10/08/10/268100810.db2.gz OAPJZGOQKWIPKG-MXWKQRLJSA-N 0 3 325.365 1.537 20 5 EDBDHN CN(C)CCOc1ccc(CCNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273639274 273047889 /nfs/dbraw/zinc/04/78/89/273047889.db2.gz RTBCYGQAHDIPFL-UHFFFAOYSA-N 0 3 331.376 1.980 20 5 EDBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280569763 273372404 /nfs/dbraw/zinc/37/24/04/273372404.db2.gz MHQGNHYZEKABME-OKILXGFUSA-N 0 3 341.371 1.522 20 5 EDBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280569763 273372405 /nfs/dbraw/zinc/37/24/05/273372405.db2.gz MHQGNHYZEKABME-OKILXGFUSA-N 0 3 341.371 1.522 20 5 EDBDHN CO[C@@H]1C[C@@H](CN2CCCC2)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000347938922 274069640 /nfs/dbraw/zinc/06/96/40/274069640.db2.gz VHEMGOKLTDDHIS-QWHCGFSZSA-N 0 3 346.391 1.327 20 5 EDBDHN C[C@H](CN1CCCCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186671537 279304324 /nfs/dbraw/zinc/30/43/24/279304324.db2.gz NJPWACXXPIBZMG-CYBMUJFWSA-N 0 3 348.403 1.914 20 5 EDBDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289032563 288616525 /nfs/dbraw/zinc/61/65/25/288616525.db2.gz MXIZFHAARAJKCQ-UHFFFAOYSA-N 0 3 348.403 1.868 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)CN1CCCC1 ZINC000055265486 301864635 /nfs/dbraw/zinc/86/46/35/301864635.db2.gz UPCHLTXQJILJRD-GFCCVEGCSA-N 0 3 341.433 1.913 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)[C@H]2C1 ZINC000293983108 303047362 /nfs/dbraw/zinc/04/73/62/303047362.db2.gz VRCFFRWOXCLXHV-LSDHHAIUSA-N 0 3 349.387 1.539 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)CC(F)F ZINC000429463981 305030391 /nfs/dbraw/zinc/03/03/91/305030391.db2.gz UYLHBJGEZLWKCI-KOLCDFICSA-N 0 3 331.319 1.918 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@H]2CCOC2)cc1 ZINC000437958537 305179512 /nfs/dbraw/zinc/17/95/12/305179512.db2.gz FLPHOAOHGLMRGJ-LBPRGKRZSA-N 0 3 328.390 1.385 20 5 EDBDHN CN(C)CCOCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450432987 305329713 /nfs/dbraw/zinc/32/97/13/305329713.db2.gz CHTSIBXUGUGPBU-UHFFFAOYSA-N 0 3 347.375 1.089 20 5 EDBDHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCCCN3CCO)cc2N1 ZINC000450609724 305330882 /nfs/dbraw/zinc/33/08/82/305330882.db2.gz GCPKISJZAFIOAA-ZDUSSCGKSA-N 0 3 348.403 1.738 20 5 EDBDHN CCOC(=O)[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000451134251 305332016 /nfs/dbraw/zinc/33/20/16/305332016.db2.gz KPEIHLKPMCHUOY-OAHLLOKOSA-N 0 3 334.372 1.649 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)C[C@H](O)C1 ZINC000452064316 305381666 /nfs/dbraw/zinc/38/16/66/305381666.db2.gz FEKFKHJOFDSATB-YPMHNXCESA-N 0 3 337.376 1.635 20 5 EDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCN1CCCO ZINC000452368224 305393576 /nfs/dbraw/zinc/39/35/76/305393576.db2.gz QNTUCWZJZJSAMS-MRXNPFEDSA-N 0 3 335.404 1.490 20 5 EDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[C@H]1N1CCN(C)CC1 ZINC000535020982 306010934 /nfs/dbraw/zinc/01/09/34/306010934.db2.gz YKISFBCCMXQPBQ-DZGCQCFKSA-N 0 3 349.435 1.031 20 5 EDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000554835322 306198417 /nfs/dbraw/zinc/19/84/17/306198417.db2.gz SHGGVTULCONOFZ-IRXDYDNUSA-N 0 3 338.404 1.626 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCN1C ZINC000449939783 447416692 /nfs/dbraw/zinc/41/66/92/447416692.db2.gz KDJFDNBMVPDNEY-GXTWGEPZSA-N 0 3 343.387 1.993 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000046036540 441072121 /nfs/dbraw/zinc/07/21/21/441072121.db2.gz IYCJKDSZAJMCAF-ZIAGYGMSSA-N 0 3 339.417 1.808 20 5 EDBDHN CN(C)CC(C)(C)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000008178199 441085517 /nfs/dbraw/zinc/08/55/17/441085517.db2.gz WYABHDAOUSNKNY-UHFFFAOYSA-N 0 3 329.422 1.998 20 5 EDBDHN COC1CCN(CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000080103393 441141548 /nfs/dbraw/zinc/14/15/48/441141548.db2.gz PGFDHVGRKKYONO-UHFFFAOYSA-N 0 3 336.392 1.505 20 5 EDBDHN CC[NH+](CC)[C@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000047671726 441218579 /nfs/dbraw/zinc/21/85/79/441218579.db2.gz BIVKQBHOSQPSOF-SNVBAGLBSA-N 0 3 333.385 1.743 20 5 EDBDHN CCN1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000018057006 441246903 /nfs/dbraw/zinc/24/69/03/441246903.db2.gz XPGPLFPQSLPROG-UHFFFAOYSA-N 0 3 328.394 1.138 20 5 EDBDHN COCCN(CCOC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000063483040 441331893 /nfs/dbraw/zinc/33/18/93/441331893.db2.gz LLUNXFCYUUYOCB-UHFFFAOYSA-N 0 3 339.392 1.827 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108561074 441464686 /nfs/dbraw/zinc/46/46/86/441464686.db2.gz ZBLMWHHPNXNWNQ-LBPRGKRZSA-N 0 3 336.392 1.744 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000108561071 441465135 /nfs/dbraw/zinc/46/51/35/441465135.db2.gz ZBLMWHHPNXNWNQ-GFCCVEGCSA-N 0 3 336.392 1.744 20 5 EDBDHN CCN1CCC[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000112075867 441544666 /nfs/dbraw/zinc/54/46/66/441544666.db2.gz LZQURHMURLZHGT-JTQLQIEISA-N 0 3 328.394 1.138 20 5 EDBDHN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC(CO)CC1 ZINC000089924753 441595679 /nfs/dbraw/zinc/59/56/79/441595679.db2.gz IWJTXTCHBZCDRU-UHFFFAOYSA-N 0 3 347.415 1.967 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000122447433 441850376 /nfs/dbraw/zinc/85/03/76/441850376.db2.gz FHIHPJZMRYZAFA-HNNXBMFYSA-N 0 3 348.447 1.527 20 5 EDBDHN COCCN1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000141506924 441852397 /nfs/dbraw/zinc/85/23/97/441852397.db2.gz JOIIUVJHUUROEI-UHFFFAOYSA-N 0 3 337.376 1.201 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000119346279 441930038 /nfs/dbraw/zinc/93/00/38/441930038.db2.gz WMEPAYOLSQTVOS-UONOGXRCSA-N 0 3 335.408 1.433 20 5 EDBDHN COCCNCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160920703 441936463 /nfs/dbraw/zinc/93/64/63/441936463.db2.gz DQEVEYKTICOQTR-UHFFFAOYSA-N 0 3 337.376 1.201 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000069527250 441963249 /nfs/dbraw/zinc/96/32/49/441963249.db2.gz KGNYKFFAKWRMNB-ZDUSSCGKSA-N 0 3 337.376 1.444 20 5 EDBDHN C[C@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000152863005 442248763 /nfs/dbraw/zinc/24/87/63/442248763.db2.gz TXZZINRJNBOLGO-NWDGAFQWSA-N 0 3 327.406 1.527 20 5 EDBDHN C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cn1ccnc1 ZINC000153591751 442290837 /nfs/dbraw/zinc/29/08/37/442290837.db2.gz NRUCYIRCDGCEQW-SNVBAGLBSA-N 0 3 328.332 1.734 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000172066557 442405936 /nfs/dbraw/zinc/40/59/36/442405936.db2.gz HDPQKLRINGZWDP-LBPRGKRZSA-N 0 3 327.406 1.618 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)CCN(C)C ZINC000133637247 442427711 /nfs/dbraw/zinc/42/77/11/442427711.db2.gz WNJNBJVUVAOLFT-UHFFFAOYSA-N 0 3 337.424 1.860 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCN(CC3CCOCC3)CC2)c1 ZINC000178863141 442507418 /nfs/dbraw/zinc/50/74/18/442507418.db2.gz YWEISNWQDWWPQF-GOSISDBHSA-N 0 3 349.431 1.672 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134258452 442462011 /nfs/dbraw/zinc/46/20/11/442462011.db2.gz UHIUHEFGHAJDRF-LBPRGKRZSA-N 0 3 325.340 1.575 20 5 EDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC000180454791 442604256 /nfs/dbraw/zinc/60/42/56/442604256.db2.gz UJAFJYVTAOQGGL-YGRLFVJLSA-N 0 3 335.320 1.411 20 5 EDBDHN C[C@H]1COCCN1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192758969 442684112 /nfs/dbraw/zinc/68/41/12/442684112.db2.gz GJSPPLOMORQKDQ-KBPBESRZSA-N 0 3 335.408 1.197 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000192917719 442697973 /nfs/dbraw/zinc/69/79/73/442697973.db2.gz SMCDBLLCHGJMHL-TXEJJXNPSA-N 0 3 325.390 1.085 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1C ZINC000192920357 442698551 /nfs/dbraw/zinc/69/85/51/442698551.db2.gz HMUKPHWARIDWCP-BETUJISGSA-N 0 3 339.417 1.394 20 5 EDBDHN CCN1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246874865 442818985 /nfs/dbraw/zinc/81/89/85/442818985.db2.gz JQGMJJHGTDMHIU-HIFRSBDPSA-N 0 3 347.419 1.877 20 5 EDBDHN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000194118394 442848022 /nfs/dbraw/zinc/84/80/22/442848022.db2.gz AOVLDYFMFLNDOY-UHFFFAOYSA-N 0 3 343.387 1.947 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000265970649 442988477 /nfs/dbraw/zinc/98/84/77/442988477.db2.gz KTIJCFFKBUAFFR-LLVKDONJSA-N 0 3 342.421 1.020 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+]CC2(C)C)cc1C ZINC000261737552 443166999 /nfs/dbraw/zinc/16/69/99/443166999.db2.gz OWVNZOAQNJOOLD-CQSZACIVSA-N 0 3 341.433 1.878 20 5 EDBDHN CCN1CCC[C@H]1CN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000266986789 443308926 /nfs/dbraw/zinc/30/89/26/443308926.db2.gz GAZAALUCDRKMQQ-LBPRGKRZSA-N 0 3 349.387 1.922 20 5 EDBDHN CN(C)C(=O)[C@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282564600 443375486 /nfs/dbraw/zinc/37/54/86/443375486.db2.gz DWJGYDHORVDVNM-CQSZACIVSA-N 0 3 334.376 1.476 20 5 EDBDHN O=C(NCC1CC1)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269656860 443382568 /nfs/dbraw/zinc/38/25/68/443382568.db2.gz OTDOFTOIPKJBDV-WBVHZDCISA-N 0 3 347.415 1.866 20 5 EDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1N(C)C ZINC000282599447 443385521 /nfs/dbraw/zinc/38/55/21/443385521.db2.gz ABJCTJJCNMAHJE-OLZOCXBDSA-N 0 3 342.396 1.434 20 5 EDBDHN CN1CCN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000264610310 443346257 /nfs/dbraw/zinc/34/62/57/443346257.db2.gz HWEFANWMAWUPIO-UHFFFAOYSA-N 0 3 346.431 1.694 20 5 EDBDHN Cc1nnc(CCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000272552667 443361426 /nfs/dbraw/zinc/36/14/26/443361426.db2.gz RNFMMVHDCLTSLJ-OAHLLOKOSA-N 0 3 341.375 1.677 20 5 EDBDHN COc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc([N+](=O)[O-])c1OC ZINC000272557242 443362795 /nfs/dbraw/zinc/36/27/95/443362795.db2.gz DONSDWAXUMJGGO-BXUZGUMPSA-N 0 3 349.387 1.778 20 5 EDBDHN COc1cc(OCC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272687969 443409775 /nfs/dbraw/zinc/40/97/75/443409775.db2.gz WOIUHMAGWGJRHV-DOMZBBRYSA-N 0 3 349.387 1.535 20 5 EDBDHN COCC1(O)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270358992 443467773 /nfs/dbraw/zinc/46/77/73/443467773.db2.gz JSHIUJNHMKCMAI-UHFFFAOYSA-N 0 3 337.376 1.397 20 5 EDBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CCO)c1ccccc1 ZINC000441421421 320095174 /nfs/dbraw/zinc/09/51/74/320095174.db2.gz OAXIRUYBHDPCLF-JKSUJKDBSA-N 0 3 334.376 1.208 20 5 EDBDHN CC[C@H](CNS(C)(=O)=O)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000449443819 320191617 /nfs/dbraw/zinc/19/16/17/320191617.db2.gz WBADPXYHMDMQHW-ICDLMJIXSA-N 0 3 341.433 1.916 20 5 EDBDHN CN(CC(=O)N[C@@H]1CNCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000449668076 320199244 /nfs/dbraw/zinc/19/92/44/320199244.db2.gz SHRVKTISLFJGBM-GFCCVEGCSA-N 0 3 328.319 1.144 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NCCN2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000454072698 320282203 /nfs/dbraw/zinc/28/22/03/320282203.db2.gz UGJRITHHOJSCBH-UHFFFAOYSA-N 0 3 348.403 1.832 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458711392 320339141 /nfs/dbraw/zinc/33/91/41/320339141.db2.gz YWUXCKFVUXIGCM-UHFFFAOYSA-N 0 3 334.380 1.611 20 5 EDBDHN CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)CC1 ZINC000286229890 443672427 /nfs/dbraw/zinc/67/24/27/443672427.db2.gz YEPJSLZECJFESN-UHFFFAOYSA-N 0 3 344.375 1.712 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000298511002 443787382 /nfs/dbraw/zinc/78/73/82/443787382.db2.gz WUHFXRLADBVBPI-KGLIPLIRSA-N 0 3 325.390 1.500 20 5 EDBDHN CC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(CC)CC ZINC000530572424 320630873 /nfs/dbraw/zinc/63/08/73/320630873.db2.gz HFNMVFAWGYANNY-OAHLLOKOSA-N 0 3 349.435 1.759 20 5 EDBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000288366427 443857077 /nfs/dbraw/zinc/85/70/77/443857077.db2.gz WRORRNLHAANIFC-UHFFFAOYSA-N 0 3 340.811 1.616 20 5 EDBDHN CC(C)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000293165114 443941040 /nfs/dbraw/zinc/94/10/40/443941040.db2.gz VCBAUFBZYZJGMF-HNNXBMFYSA-N 0 3 335.404 1.971 20 5 EDBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000541816109 320777631 /nfs/dbraw/zinc/77/76/31/320777631.db2.gz DOVZGAYIPMLFJT-NSHDSACASA-N 0 3 342.421 1.341 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000299184886 443977295 /nfs/dbraw/zinc/97/72/95/443977295.db2.gz BUARVASQSOOMDM-ZDUSSCGKSA-N 0 3 346.387 1.457 20 5 EDBDHN CCN1CC[C@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293419385 444011954 /nfs/dbraw/zinc/01/19/54/444011954.db2.gz ZSABPQXBXHPFBU-DLBZAZTESA-N 0 3 335.404 1.769 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285707459 444079901 /nfs/dbraw/zinc/07/99/01/444079901.db2.gz JDHVQYGPIDIRMZ-HOTGVXAUSA-N 0 3 333.388 1.459 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000567847191 321262823 /nfs/dbraw/zinc/26/28/23/321262823.db2.gz CCQQYVKGBBPGSA-CQSZACIVSA-N 0 3 344.375 1.431 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)C1CCCC1 ZINC000289421117 444137840 /nfs/dbraw/zinc/13/78/40/444137840.db2.gz CCZAEMJOGQEPHK-AWEZNQCLSA-N 0 3 337.376 1.683 20 5 EDBDHN CN(C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000290051925 444235979 /nfs/dbraw/zinc/23/59/79/444235979.db2.gz RVJKPXKEPPMTEY-KRWDZBQOSA-N 0 3 334.420 1.172 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000304311835 444246319 /nfs/dbraw/zinc/24/63/19/444246319.db2.gz MFWTXZKTGMGKHU-HOCLYGCPSA-N 0 3 331.376 1.339 20 5 EDBDHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000331193075 444438511 /nfs/dbraw/zinc/43/85/11/444438511.db2.gz QPWPVXABMZTPDJ-KGLIPLIRSA-N 0 3 327.406 1.545 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000581430646 322176911 /nfs/dbraw/zinc/17/69/11/322176911.db2.gz IXBFLGKTDUZXMK-INIZCTEOSA-N 0 3 326.356 1.997 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N(C)C1 ZINC000343873187 444639832 /nfs/dbraw/zinc/63/98/32/444639832.db2.gz HIZJYRRJZHNFTK-KBPBESRZSA-N 0 3 347.375 1.800 20 5 EDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000338582818 444755458 /nfs/dbraw/zinc/75/54/58/444755458.db2.gz QDTNORIPZLGCOX-HNNXBMFYSA-N 0 3 348.403 1.267 20 5 EDBDHN CN1CCC(O)(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000341451778 444839347 /nfs/dbraw/zinc/83/93/47/444839347.db2.gz KSDFBWBCJLCSBJ-UHFFFAOYSA-N 0 3 335.404 1.445 20 5 EDBDHN CN(C)CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])n2C)ccn1 ZINC000342825070 444881384 /nfs/dbraw/zinc/88/13/84/444881384.db2.gz JRKMRPDVYQGYSQ-UHFFFAOYSA-N 0 3 347.375 1.199 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2Cn2ccnn2)c1 ZINC000344351089 444912594 /nfs/dbraw/zinc/91/25/94/444912594.db2.gz VHECKKWODHXABS-LSDHHAIUSA-N 0 3 347.375 1.091 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC000342908541 444935356 /nfs/dbraw/zinc/93/53/56/444935356.db2.gz VQLUJUCCIGLORN-UHFFFAOYSA-N 0 3 342.359 2.087 20 5 EDBDHN COc1cc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000337255296 445005427 /nfs/dbraw/zinc/00/54/27/445005427.db2.gz MRMIDQKLNPYRBL-LZWOXQAQSA-N 0 3 336.388 1.965 20 5 EDBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000341968024 445100446 /nfs/dbraw/zinc/10/04/46/445100446.db2.gz OFJMTLHZTGXAHL-GFCCVEGCSA-N 0 3 329.422 1.994 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(CC(F)(F)F)CC2)c1 ZINC000341986807 445109730 /nfs/dbraw/zinc/10/97/30/445109730.db2.gz IAIXJVJMKWQNDM-GFCCVEGCSA-N 0 3 336.314 1.817 20 5 EDBDHN CN(C)CCOC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000351897542 445361836 /nfs/dbraw/zinc/36/18/36/445361836.db2.gz PONRKYLSCWBVAT-UHFFFAOYSA-N 0 3 335.404 1.707 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000362435744 445380255 /nfs/dbraw/zinc/38/02/55/445380255.db2.gz XAQKDTOHYFRMDV-GHMZBOCLSA-N 0 3 339.779 1.841 20 5 EDBDHN C[C@H]1CCN(C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362769015 445541161 /nfs/dbraw/zinc/54/11/61/445541161.db2.gz IWKIXMPCVSUZOB-JTQLQIEISA-N 0 3 327.331 1.968 20 5 EDBDHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000356050682 445590793 /nfs/dbraw/zinc/59/07/93/445590793.db2.gz XYMIGHMMTVIWLS-HNNXBMFYSA-N 0 3 344.371 1.072 20 5 EDBDHN Cc1cc(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC000349782588 445676944 /nfs/dbraw/zinc/67/69/44/445676944.db2.gz ZJPUOPCQLOFYSY-LBPRGKRZSA-N 0 3 329.422 1.910 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000360291012 445680224 /nfs/dbraw/zinc/68/02/24/445680224.db2.gz ICBMXLRJXWELOL-AWEZNQCLSA-N 0 3 348.403 1.186 20 5 EDBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000351143101 445999570 /nfs/dbraw/zinc/99/95/70/445999570.db2.gz RLPBRHXWHALQKN-TYNCELHUSA-N 0 3 349.387 1.877 20 5 EDBDHN Cc1ccnc(N2CCC[C@H](CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000361832117 445988990 /nfs/dbraw/zinc/98/89/90/445988990.db2.gz ZRASEGOCBDZQBW-OAHLLOKOSA-N 0 3 333.436 1.762 20 5 EDBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000366230642 446095722 /nfs/dbraw/zinc/09/57/22/446095722.db2.gz RTSYFZDCZVBVOD-CQSZACIVSA-N 0 3 325.390 1.311 20 5 EDBDHN CN1CCC(n2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)CC1 ZINC000373231542 446108890 /nfs/dbraw/zinc/10/88/90/446108890.db2.gz PGBIYUHNKZMIAN-UHFFFAOYSA-N 0 3 335.389 2.372 20 5 EDBDHN Cc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376404904 446477390 /nfs/dbraw/zinc/47/73/90/446477390.db2.gz BLEVPVRQBXFBEM-VXGBXAGGSA-N 0 3 334.376 1.703 20 5 EDBDHN COc1ccc(NC(=O)CN2CCNC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420329145 446498081 /nfs/dbraw/zinc/49/80/81/446498081.db2.gz GKKITXNSMJKHBQ-OAHLLOKOSA-N 0 3 340.355 1.175 20 5 EDBDHN Cc1c(NC(=O)[C@H](C)N2CCNC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000420329009 446498217 /nfs/dbraw/zinc/49/82/17/446498217.db2.gz ISNDNWDSOWPHSM-BLLLJJGKSA-N 0 3 338.383 1.864 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000433155161 446538532 /nfs/dbraw/zinc/53/85/32/446538532.db2.gz CWMZKAWZHSVIEZ-MDZLAQPJSA-N 0 3 337.376 1.945 20 5 EDBDHN CN(C[C@@H]1CCCN1C)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420630146 446710130 /nfs/dbraw/zinc/71/01/30/446710130.db2.gz DKRWCXXPOGXNLR-INIZCTEOSA-N 0 3 348.447 1.957 20 5 EDBDHN COc1ccc(CNC(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000420782455 446817171 /nfs/dbraw/zinc/81/71/71/446817171.db2.gz QVVXKIPGLGVMEX-CYBMUJFWSA-N 0 3 336.392 1.839 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(CNC[C@H]3CNc4ccnn4C3)nc2c1 ZINC000619267217 450438665 /nfs/dbraw/zinc/43/86/65/450438665.db2.gz XFXAUWKQIXYBPC-JTQLQIEISA-N 0 3 327.348 1.499 20 5 EDBDHN COc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000377480320 447151923 /nfs/dbraw/zinc/15/19/23/447151923.db2.gz CHNPVBWUQNAXOS-OLZOCXBDSA-N 0 3 335.360 1.196 20 5 EDBDHN CN1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000375889985 447125462 /nfs/dbraw/zinc/12/54/62/447125462.db2.gz JTLDRZMDSOXROF-CVEARBPZSA-N 0 3 343.387 1.395 20 5 EDBDHN O=C(CNc1ncc([N+](=O)[O-])cc1F)NCCN1CCCCCC1 ZINC000413302412 447126668 /nfs/dbraw/zinc/12/66/68/447126668.db2.gz MLXCCIZITSHJIR-UHFFFAOYSA-N 0 3 339.371 1.533 20 5 EDBDHN O=C(CCN1CC[C@@H](n2cncn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000368882332 447177131 /nfs/dbraw/zinc/17/71/31/447177131.db2.gz NGWYPYBXSPKAOD-GFCCVEGCSA-N 0 3 348.338 1.601 20 5 EDBDHN O=C(CCN1CC[C@@H](c2nnc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425545522 447224321 /nfs/dbraw/zinc/22/43/21/447224321.db2.gz JWOZPQQMIAANQN-LLVKDONJSA-N 0 3 330.348 1.531 20 5 EDBDHN CN(C)CCN1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000377585031 447224937 /nfs/dbraw/zinc/22/49/37/447224937.db2.gz USFXMIXUTLIPMC-BQYQJAHWSA-N 0 3 346.431 1.704 20 5 EDBDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000372797880 447289350 /nfs/dbraw/zinc/28/93/50/447289350.db2.gz DUSJKOZFDXJDNC-QLJPJBMISA-N 0 3 349.343 1.419 20 5 EDBDHN CCN1CC[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000413818748 447257509 /nfs/dbraw/zinc/25/75/09/447257509.db2.gz PDNIAHYDXPJDHI-AWEZNQCLSA-N 0 3 347.419 1.521 20 5 EDBDHN COC(=O)N(C)CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496739146 447870009 /nfs/dbraw/zinc/87/00/09/447870009.db2.gz IQGAELLKBQDGGW-RNCFNFMXSA-N 0 3 328.296 1.773 20 5 EDBDHN CN1CCN(CCCCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000524341661 447926741 /nfs/dbraw/zinc/92/67/41/447926741.db2.gz PSMMETTYRKTQPN-UHFFFAOYSA-N 0 3 349.435 1.422 20 5 EDBDHN CNc1nccc(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000553391815 447989136 /nfs/dbraw/zinc/98/91/36/447989136.db2.gz JOMHNOFCBVPUNI-GFCCVEGCSA-N 0 3 335.408 1.882 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000491352091 448002477 /nfs/dbraw/zinc/00/24/77/448002477.db2.gz NBMJEJVVEXRKSO-YVMONPNESA-N 0 3 329.360 2.005 20 5 EDBDHN N[C@@H]1CCCc2cn(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)nc21 ZINC000576389224 448042378 /nfs/dbraw/zinc/04/23/78/448042378.db2.gz AFBBWLFFLQYSQU-CQSZACIVSA-N 0 3 341.371 1.717 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000531481258 448090653 /nfs/dbraw/zinc/09/06/53/448090653.db2.gz ZMLRVBQRIWSISM-CHWSQXEVSA-N 0 3 348.403 1.898 20 5 EDBDHN Cc1cc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000576839548 448153610 /nfs/dbraw/zinc/15/36/10/448153610.db2.gz LRZQKZDDXTVFCY-NSHDSACASA-N 0 3 334.376 1.300 20 5 EDBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000591685963 448451083 /nfs/dbraw/zinc/45/10/83/448451083.db2.gz FGZJFOPGUXKTDC-MIMYLULJSA-N 0 3 345.758 1.832 20 5 EDBDHN CCSc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000591761470 448484865 /nfs/dbraw/zinc/48/48/65/448484865.db2.gz OHCKFWDYIATSLV-ZDUSSCGKSA-N 0 3 337.405 1.449 20 5 EDBDHN O=C([C@H]1CCCN1C1CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000584446086 448527805 /nfs/dbraw/zinc/52/78/05/448527805.db2.gz PQKOIXUEHGSJNJ-OAHLLOKOSA-N 0 3 345.403 1.265 20 5 EDBDHN CCC(=O)Nc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000578759100 448629281 /nfs/dbraw/zinc/62/92/81/448629281.db2.gz PFEAIYQUUWEDES-HNNXBMFYSA-N 0 3 347.375 1.291 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1c2ccccc2C[C@@H]1O ZINC000579108943 448716025 /nfs/dbraw/zinc/71/60/25/448716025.db2.gz KTTIONQPKOTFFV-QANKJYHBSA-N 0 3 344.367 1.582 20 5 EDBDHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592385155 448817316 /nfs/dbraw/zinc/81/73/16/448817316.db2.gz NGTZOFOIZPVSQE-LURJTMIESA-N 0 3 327.284 1.239 20 5 EDBDHN COC(=O)[C@@H]1CNCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592434719 448835446 /nfs/dbraw/zinc/83/54/46/448835446.db2.gz NQGVMUNSDQZNEG-ZDUSSCGKSA-N 0 3 327.768 1.585 20 5 EDBDHN Cc1c(CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588861934 448941109 /nfs/dbraw/zinc/94/11/09/448941109.db2.gz ZKYNVBGRVHWZMI-GJZGRUSLSA-N 0 3 333.388 1.113 20 5 EDBDHN CN(C)C[C@H](CO)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000588864686 448942887 /nfs/dbraw/zinc/94/28/87/448942887.db2.gz ORFDSKPGRPBABU-SNVBAGLBSA-N 0 3 347.824 1.379 20 5 EDBDHN Cc1cccc(C(=O)N2CCOC3(CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000592898588 449042603 /nfs/dbraw/zinc/04/26/03/449042603.db2.gz IRCSITDCDGHOQD-UHFFFAOYSA-N 0 3 333.388 1.840 20 5 EDBDHN CN1C[C@@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590012827 449098091 /nfs/dbraw/zinc/09/80/91/449098091.db2.gz ZFXUMGXFKWYZIS-XJKSGUPXSA-N 0 3 330.388 1.120 20 5 EDBDHN CCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597944976 449154540 /nfs/dbraw/zinc/15/45/40/449154540.db2.gz FRIWYDODASOIEB-DOMZBBRYSA-N 0 3 348.403 1.266 20 5 EDBDHN COc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000590443727 449166220 /nfs/dbraw/zinc/16/62/20/449166220.db2.gz GLTMPWQGSBSHHF-ZWNOBZJWSA-N 0 3 335.360 1.388 20 5 EDBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000597921408 449142725 /nfs/dbraw/zinc/14/27/25/449142725.db2.gz FBRDQWRFGVINMX-LLVKDONJSA-N 0 3 349.387 1.969 20 5 EDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000590400832 449148546 /nfs/dbraw/zinc/14/85/46/449148546.db2.gz ZKHGNIBFSYDHQA-HIFRSBDPSA-N 0 3 349.387 1.295 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC3(CCOC3)CC2)c1 ZINC000611177772 449204096 /nfs/dbraw/zinc/20/40/96/449204096.db2.gz KZVXQOCFWICVEZ-HNNXBMFYSA-N 0 3 336.388 1.837 20 5 EDBDHN CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CCN(CC)C1 ZINC000598041815 449209600 /nfs/dbraw/zinc/20/96/00/449209600.db2.gz NHNGANGGGFHKGY-CQSZACIVSA-N 0 3 337.424 1.741 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@@H]2C1 ZINC000590767505 449287405 /nfs/dbraw/zinc/28/74/05/449287405.db2.gz GJVRWCSLSOSRNC-MLGOLLRUSA-N 0 3 341.371 1.761 20 5 EDBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598194781 449290806 /nfs/dbraw/zinc/29/08/06/449290806.db2.gz IHKGZAWCVGUSTQ-AWEZNQCLSA-N 0 3 343.387 1.707 20 5 EDBDHN CN(C)CCN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593486353 449306331 /nfs/dbraw/zinc/30/63/31/449306331.db2.gz TXBCACXODSOPKL-UHFFFAOYSA-N 0 3 343.387 1.353 20 5 EDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000593557749 449347594 /nfs/dbraw/zinc/34/75/94/449347594.db2.gz QBAYUVIULKGONZ-NWDGAFQWSA-N 0 3 342.421 1.483 20 5 EDBDHN C[C@H](CN1CCCCC1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596074895 449350007 /nfs/dbraw/zinc/35/00/07/449350007.db2.gz AHEDSYDLFLSKGZ-LLVKDONJSA-N 0 3 342.421 1.529 20 5 EDBDHN CCCN1CC[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000598341910 449356391 /nfs/dbraw/zinc/35/63/91/449356391.db2.gz IBMBZSLQKSGCRS-AWEZNQCLSA-N 0 3 343.387 1.995 20 5 EDBDHN Cc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])s1 ZINC000596175924 449397056 /nfs/dbraw/zinc/39/70/56/449397056.db2.gz XCIBSKZENIJMHK-LBPRGKRZSA-N 0 3 338.433 1.883 20 5 EDBDHN Cc1nn(CCC(=O)N[C@H]2CCCN3CCCC[C@H]23)c(C)c1[N+](=O)[O-] ZINC000594199446 449388442 /nfs/dbraw/zinc/38/84/42/449388442.db2.gz ZPPGJTJYUOGCGQ-LSDHHAIUSA-N 0 3 349.435 1.931 20 5 EDBDHN C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000594211499 449391067 /nfs/dbraw/zinc/39/10/67/449391067.db2.gz DHKHIUFGJGTYFA-BYCMXARLSA-N 0 3 334.376 1.116 20 5 EDBDHN CCN1CCC(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598588648 449478224 /nfs/dbraw/zinc/47/82/24/449478224.db2.gz KQUWLDWFVDQKSX-UHFFFAOYSA-N 0 3 336.396 1.118 20 5 EDBDHN CC[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596456985 449512186 /nfs/dbraw/zinc/51/21/86/449512186.db2.gz YUGXFIHBOCZLRD-KKUMJFAQSA-N 0 3 336.392 1.362 20 5 EDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000602490664 449629828 /nfs/dbraw/zinc/62/98/28/449629828.db2.gz CVFCRUXLLBTZCE-WDEREUQCSA-N 0 3 347.350 1.742 20 5 EDBDHN C[C@H](CN1CCN(C)CC1)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601112742 449696965 /nfs/dbraw/zinc/69/69/65/449696965.db2.gz CHROLBBUAIRKEE-CYBMUJFWSA-N 0 3 329.404 1.613 20 5 EDBDHN CCCN1CC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000596880794 449702892 /nfs/dbraw/zinc/70/28/92/449702892.db2.gz HTYUTFRPJMSPGX-ZDUSSCGKSA-N 0 3 348.403 1.852 20 5 EDBDHN CCN1CCN(CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602590209 449690479 /nfs/dbraw/zinc/69/04/79/449690479.db2.gz CLWFKCVBCAOKGN-UHFFFAOYSA-N 0 3 347.419 1.853 20 5 EDBDHN COc1ccc(CNCCC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000594951924 449817472 /nfs/dbraw/zinc/81/74/72/449817472.db2.gz OCFLWGUSQHKSCF-UHFFFAOYSA-N 0 3 342.417 1.908 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)c1 ZINC000601420663 449936825 /nfs/dbraw/zinc/93/68/25/449936825.db2.gz FCHOOJUSKBXODN-QWHCGFSZSA-N 0 3 341.433 1.925 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000595195093 449937056 /nfs/dbraw/zinc/93/70/56/449937056.db2.gz ZBJDMJAIYXPJHD-CYBMUJFWSA-N 0 3 348.403 1.751 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCCN(C)C1 ZINC000599413006 449957932 /nfs/dbraw/zinc/95/79/32/449957932.db2.gz RETLWGPMIFRVBF-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000615293327 450050489 /nfs/dbraw/zinc/05/04/89/450050489.db2.gz FRLUZWWPCFTDCZ-ZIAGYGMSSA-N 0 3 327.406 1.497 20 5 EDBDHN CNc1ccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)cc1[N+](=O)[O-] ZINC000597574639 450117746 /nfs/dbraw/zinc/11/77/46/450117746.db2.gz RLLNLENGRGFNIM-INIZCTEOSA-N 0 3 336.392 1.165 20 5 EDBDHN CC(C)c1n[n-]c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)c1[N+](=O)[O-] ZINC000597575959 450119341 /nfs/dbraw/zinc/11/93/41/450119341.db2.gz AUKUXHVSXCIUFF-GHMZBOCLSA-N 0 3 339.371 1.700 20 5 EDBDHN COc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000597693129 450200764 /nfs/dbraw/zinc/20/07/64/450200764.db2.gz BHAWDWUDVCPVKZ-DZGCQCFKSA-N 0 3 349.387 1.539 20 5 EDBDHN Cc1cc(NC[C@@H]2CSCCN2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000603419395 450292713 /nfs/dbraw/zinc/29/27/13/450292713.db2.gz NPINHWHPLLUKAU-CYBMUJFWSA-N 0 3 345.428 1.899 20 5 EDBDHN COc1ccccc1[C@H]1CNCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603431754 450300277 /nfs/dbraw/zinc/30/02/77/450300277.db2.gz YQYUAMQTYPIMNF-CQSZACIVSA-N 0 3 331.376 1.483 20 5 EDBDHN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](c3nc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000425541497 486882449 /nfs/dbraw/zinc/88/24/49/486882449.db2.gz FZYBOAHOTMRARB-VXGBXAGGSA-N 0 3 344.375 1.838 20 5 EDBDHN CCN(CCO)CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187349808 528538284 /nfs/dbraw/zinc/53/82/84/528538284.db2.gz XIKJOPGPDIYWFG-CYBMUJFWSA-N 0 3 338.408 1.578 20 5 EDBDHN CN(C)CCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000270247716 535934072 /nfs/dbraw/zinc/93/40/72/535934072.db2.gz QCIZNGUELFJIEC-UHFFFAOYSA-N 0 3 330.344 1.570 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](O)c2ccc(Cl)cc2)c1 ZINC000743258941 579474240 /nfs/dbraw/zinc/47/42/40/579474240.db2.gz OYAZJMOIRKPNON-KGLIPLIRSA-N 0 3 340.767 1.129 20 5 EDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729498504 578577088 /nfs/dbraw/zinc/57/70/88/578577088.db2.gz OXJSHFYRDFSRNW-CABCVRRESA-N 0 3 334.376 1.257 20 5 EDBDHN CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(C2CC2)C1 ZINC000732034707 578687817 /nfs/dbraw/zinc/68/78/17/578687817.db2.gz GOFXYPQFNNEBMR-LBPRGKRZSA-N 0 3 337.351 1.808 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@H](C)C1 ZINC000761066799 580045987 /nfs/dbraw/zinc/04/59/87/580045987.db2.gz BZZZRBIDBQKYKP-GFCCVEGCSA-N 0 3 336.392 1.568 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@@H](C)C1 ZINC000761066800 580045992 /nfs/dbraw/zinc/04/59/92/580045992.db2.gz BZZZRBIDBQKYKP-LBPRGKRZSA-N 0 3 336.392 1.568 20 5 EDBDHN C/C(=C/C(=O)NC[C@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752599016 579862117 /nfs/dbraw/zinc/86/21/17/579862117.db2.gz DVMRSUABFNPLMW-IFCKCIONSA-N 0 3 347.415 1.961 20 5 EDBDHN COC(=O)C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754517394 579905116 /nfs/dbraw/zinc/90/51/16/579905116.db2.gz CUVLGLQHXJWRRU-YGRLFVJLSA-N 0 3 335.360 1.853 20 5 EDBDHN O=[N+]([O-])c1cc(S(=O)(=O)NC2CCN(CC3CC3)CC2)cs1 ZINC000768817376 580221134 /nfs/dbraw/zinc/22/11/34/580221134.db2.gz NLHSDRCESGSKIE-UHFFFAOYSA-N 0 3 345.446 1.809 20 5 EDBDHN CN1CCC(ONC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000773549173 580340605 /nfs/dbraw/zinc/34/06/05/580340605.db2.gz IUABMXCLAFAHJH-UHFFFAOYSA-N 0 3 345.359 1.536 20 5 EDBDHN CCS(=O)(=O)CCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000788427872 580721194 /nfs/dbraw/zinc/72/11/94/580721194.db2.gz AQQSFOVVSFMQEU-VXGBXAGGSA-N 0 3 330.410 1.299 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1C ZINC000892368101 590995422 /nfs/dbraw/zinc/99/54/22/590995422.db2.gz YBVVPASHQHUDOY-UHFFFAOYSA-N 0 3 348.403 1.058 20 5 EDBDHN COc1cc(N2CC[C@@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])cc1C ZINC000897218485 591773260 /nfs/dbraw/zinc/77/32/60/591773260.db2.gz DFZUVDOSCOEWCZ-ZIAGYGMSSA-N 0 3 335.404 1.947 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]4[C@H]3CCCN4CCO)nc2c1 ZINC000897220644 591775755 /nfs/dbraw/zinc/77/57/55/591775755.db2.gz CRQCWSOTOMQSLS-LSDHHAIUSA-N 0 3 331.376 1.507 20 5 EDBDHN COc1cc([C@H](C)N[C@@H]2CCc3nnn(C)c3C2)cc([N+](=O)[O-])c1 ZINC000903224850 592136526 /nfs/dbraw/zinc/13/65/26/592136526.db2.gz BUQFNHLHKXNONU-CMPLNLGQSA-N 0 3 331.376 1.940 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908573116 592544205 /nfs/dbraw/zinc/54/42/05/592544205.db2.gz GPVLWGGYMJGKKN-UHFFFAOYSA-N 0 3 349.435 1.967 20 5 EDBDHN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813105343 593517833 /nfs/dbraw/zinc/51/78/33/593517833.db2.gz LZAQDQMVPWZUEF-OLZOCXBDSA-N 0 3 329.397 1.663 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2CCCCS2(=O)=O)cc1 ZINC000819221752 593745137 /nfs/dbraw/zinc/74/51/37/593745137.db2.gz NSYVKNVMBQBWEF-KGLIPLIRSA-N 0 3 328.390 1.185 20 5 EDBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000819304909 593749586 /nfs/dbraw/zinc/74/95/86/593749586.db2.gz KILMPRFFRIRMEV-GWCFXTLKSA-N 0 3 328.390 1.184 20 5 EDBDHN C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625106 593885982 /nfs/dbraw/zinc/88/59/82/593885982.db2.gz FWMKIMYPCVTROE-SMDDNHRTSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625106 593885984 /nfs/dbraw/zinc/88/59/84/593885984.db2.gz FWMKIMYPCVTROE-SMDDNHRTSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625106 593885986 /nfs/dbraw/zinc/88/59/86/593885986.db2.gz FWMKIMYPCVTROE-SMDDNHRTSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625106 593885988 /nfs/dbraw/zinc/88/59/88/593885988.db2.gz FWMKIMYPCVTROE-SMDDNHRTSA-N 0 3 343.391 1.695 20 5 EDBDHN Nc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000824008067 593906593 /nfs/dbraw/zinc/90/65/93/593906593.db2.gz DDTSQARVKJFRRU-UHFFFAOYSA-N 0 3 342.359 1.926 20 5 EDBDHN Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc4c(c3)CNC4)n2)n1C ZINC000823094910 594152767 /nfs/dbraw/zinc/15/27/67/594152767.db2.gz UZADBQMWKKJTAB-UHFFFAOYSA-N 0 3 326.316 1.957 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000826678035 594553225 /nfs/dbraw/zinc/55/32/25/594553225.db2.gz USVVEGSJFDXJLB-JTQLQIEISA-N 0 3 326.784 1.804 20 5 EDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826938166 594605689 /nfs/dbraw/zinc/60/56/89/594605689.db2.gz RXXVXCCRDQRDFO-KBMXLJTQSA-N 0 3 333.388 1.713 20 5 EDBDHN CC(C)CN(CC1CCN(C)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000829573382 594643087 /nfs/dbraw/zinc/64/30/87/594643087.db2.gz XRUWIPGSASZZFL-UHFFFAOYSA-N 0 3 337.424 1.618 20 5 EDBDHN CCCN(CCN(C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000104531414 594967898 /nfs/dbraw/zinc/96/78/98/594967898.db2.gz YNRPEUXEHLSIEK-UHFFFAOYSA-N 0 3 327.356 1.913 20 5 EDBDHN C[C@@H](CN1CCCC1)OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000845672714 595041969 /nfs/dbraw/zinc/04/19/69/595041969.db2.gz MJHYVJGKIWTYGK-LBPRGKRZSA-N 0 3 332.360 1.972 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000837239538 595064845 /nfs/dbraw/zinc/06/48/45/595064845.db2.gz USYYVMXMKXOKSR-CQSZACIVSA-N 0 3 334.376 1.544 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000837245343 595065358 /nfs/dbraw/zinc/06/53/58/595065358.db2.gz GKEVBSXEBUGHCE-UHFFFAOYSA-N 0 3 326.372 1.870 20 5 EDBDHN CC([C@H](OC(=O)CS(=O)(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845879355 595086261 /nfs/dbraw/zinc/08/62/61/595086261.db2.gz JJITUAXCIFPCGB-OTYXRUKQSA-N 0 3 345.348 1.652 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843427587 595107717 /nfs/dbraw/zinc/10/77/17/595107717.db2.gz AGAGDZDJISDHBR-NSHDSACASA-N 0 3 340.811 1.800 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843428567 595108960 /nfs/dbraw/zinc/10/89/60/595108960.db2.gz KQNZEIHCICHIRZ-NSHDSACASA-N 0 3 340.811 1.800 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000843809814 595191722 /nfs/dbraw/zinc/19/17/22/595191722.db2.gz ARHQJVAKVDQZHX-JTQLQIEISA-N 0 3 336.348 1.883 20 5 EDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCO2 ZINC000852782807 595541040 /nfs/dbraw/zinc/54/10/40/595541040.db2.gz TXDUDVGKPPGNLN-WBMJQRKESA-N 0 3 346.387 1.828 20 5 EDBDHN Cc1c(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000851649026 595868108 /nfs/dbraw/zinc/86/81/08/595868108.db2.gz SKWHRNOZFAJDKY-GHMZBOCLSA-N 0 3 340.311 1.631 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)N2CCNCCC2(C)C)cc1[N+](=O)[O-] ZINC000866802377 596354146 /nfs/dbraw/zinc/35/41/46/596354146.db2.gz CWCMMLXVHZVKLP-UHFFFAOYSA-N 0 3 341.433 1.974 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCN3C)C2)cc1[N+](=O)[O-] ZINC000867815135 596566924 /nfs/dbraw/zinc/56/69/24/596566924.db2.gz XNTHYSJBQSIVRR-JSGCOSHPSA-N 0 3 339.417 1.618 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(NC[C@H]2CN3CCC[C@H]3CO2)cc1F ZINC000865484758 596587847 /nfs/dbraw/zinc/58/78/47/596587847.db2.gz IPUSCPLUPPKLCP-RYUDHWBXSA-N 0 3 325.340 1.501 20 5 EDBDHN COC(=O)C1=CC[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000863572281 596622810 /nfs/dbraw/zinc/62/28/10/596622810.db2.gz MUHSWIXVIIKJQO-CHWSQXEVSA-N 0 3 336.344 1.186 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869779055 596631269 /nfs/dbraw/zinc/63/12/69/596631269.db2.gz SLYBINHDGTWKEN-VOMSXAGXSA-N 0 3 347.415 1.960 20 5 EDBDHN C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000119952107 596797459 /nfs/dbraw/zinc/79/74/59/596797459.db2.gz WJQRAQTVSBBUAH-VIFPVBQESA-N 0 3 335.451 1.911 20 5 EDBDHN C[C@H](NC1CCN(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020802 596797473 /nfs/dbraw/zinc/79/74/73/596797473.db2.gz LFMZNDALDRWUPV-JTQLQIEISA-N 0 3 345.396 1.809 20 5 EDBDHN CN(C)[C@]1(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCSC1 ZINC000866333230 596859784 /nfs/dbraw/zinc/85/97/84/596859784.db2.gz IJVMKBRJRCNJAQ-HNNXBMFYSA-N 0 3 341.408 1.830 20 5 EDBDHN CC[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000125512424 596922262 /nfs/dbraw/zinc/92/22/62/596922262.db2.gz LCVYVUQKFRZKQK-HNNXBMFYSA-N 0 3 346.431 1.975 20 5 EDBDHN COC(=O)[C@@H]1CN(C)CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877587103 597539527 /nfs/dbraw/zinc/53/95/27/597539527.db2.gz DVYSFIQUROEHIS-CQSZACIVSA-N 0 3 335.404 1.748 20 5 EDBDHN C[C@@H](CSCCF)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877830620 597560855 /nfs/dbraw/zinc/56/08/55/597560855.db2.gz JIQHPTVUYQFHQH-ZLKJLUDKSA-N 0 3 332.397 1.670 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNCCC12CCC2 ZINC000883477412 597766206 /nfs/dbraw/zinc/76/62/06/597766206.db2.gz BZMHQLHXXZXRJK-UHFFFAOYSA-N 0 3 339.417 1.810 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)CC2CC2)CC1 ZINC000997464816 703674180 /nfs/dbraw/zinc/67/41/80/703674180.db2.gz BAVKQKQHKFNYEY-UHFFFAOYSA-N 0 3 335.408 1.457 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)C=C2CCC2)CC1 ZINC001034623382 710297035 /nfs/dbraw/zinc/29/70/35/710297035.db2.gz FFCMRYRERBJNDM-HDJSIYSDSA-N 0 3 347.419 1.956 20 5 EDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000558035924 306235170 /nfs/dbraw/zinc/23/51/70/306235170.db2.gz SOUHHBSZRFYIAM-HNNXBMFYSA-N 0 3 339.779 1.435 20 5 EDBDHN CC[C@]1(CO)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000187555163 529424632 /nfs/dbraw/zinc/42/46/32/529424632.db2.gz JYDWSRZHROOIQH-RDJZCZTQSA-N 0 3 338.404 1.819 20 5 EDBDHN CCc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184317145 529608144 /nfs/dbraw/zinc/60/81/44/529608144.db2.gz UAUNCGKJTKIXKL-CQSZACIVSA-N 0 3 348.447 1.913 20 5 EDBDHN Cc1sc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000124045752 138323412 /nfs/dbraw/zinc/32/34/12/138323412.db2.gz ILEWHBKZABGPSD-NSHDSACASA-N 0 3 347.462 1.927 20 5 EDBDHN Cc1cc(Sc2nnnn2C[C@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC000131935232 138368329 /nfs/dbraw/zinc/36/83/29/138368329.db2.gz XIJDMCWXJCAMPX-JTQLQIEISA-N 0 3 335.393 1.388 20 5 EDBDHN COc1cccc([N+](=O)[O-])c1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000565489694 306385123 /nfs/dbraw/zinc/38/51/23/306385123.db2.gz BTYHALVNJZBZSI-AWEZNQCLSA-N 0 3 348.403 1.346 20 5 EDBDHN Cc1cc(S(=O)(=O)NCC2(N(C)C)CCC2)cc([N+](=O)[O-])c1F ZINC000275470177 201283156 /nfs/dbraw/zinc/28/31/56/201283156.db2.gz LPOHNUPDFQJTNR-UHFFFAOYSA-N 0 3 345.396 1.805 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154226995 201396249 /nfs/dbraw/zinc/39/62/49/201396249.db2.gz GIODIQFGKNABHM-UHFFFAOYSA-N 0 3 333.385 1.662 20 5 EDBDHN CCC[C@H]1CNCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420243566 283984325 /nfs/dbraw/zinc/98/43/25/283984325.db2.gz XXLMYRZSUFRFSA-NSHDSACASA-N 0 3 327.406 1.577 20 5 EDBDHN CN1CCN(CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000104211062 204101179 /nfs/dbraw/zinc/10/11/79/204101179.db2.gz IQPNSZDBXBQQPD-UHFFFAOYSA-N 0 3 345.403 1.443 20 5 EDBDHN CC(C)C[C@@H](CN)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000236654193 139027670 /nfs/dbraw/zinc/02/76/70/139027670.db2.gz NLKYKNATIUQMND-NSHDSACASA-N 0 3 343.405 1.102 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](C)CN1 ZINC000237375719 139049657 /nfs/dbraw/zinc/04/96/57/139049657.db2.gz JAPBAGLDYBBENZ-NEPJUHHUSA-N 0 3 329.360 1.603 20 5 EDBDHN C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N1CCC[C@H](C)C1 ZINC000102331987 206302012 /nfs/dbraw/zinc/30/20/12/206302012.db2.gz BRFYSAUNASLNOH-STQMWFEESA-N 0 3 337.424 1.763 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)n1 ZINC000248654297 139170472 /nfs/dbraw/zinc/17/04/72/139170472.db2.gz COPFKLNFSIYGJL-JHJVBQTASA-N 0 3 337.424 1.907 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000248878218 139178764 /nfs/dbraw/zinc/17/87/64/139178764.db2.gz RHVYETKLDWUQNQ-XJKSGUPXSA-N 0 3 343.387 1.428 20 5 EDBDHN CC[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262127780 139253309 /nfs/dbraw/zinc/25/33/09/139253309.db2.gz NSPKIMFRHDHUPR-ZFWWWQNUSA-N 0 3 336.392 1.262 20 5 EDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC(=O)N(C)C1=O ZINC000424361964 252200227 /nfs/dbraw/zinc/20/02/27/252200227.db2.gz YFGPKJMYDYIVJO-GWCFXTLKSA-N 0 3 348.359 1.049 20 5 EDBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000425627605 252307976 /nfs/dbraw/zinc/30/79/76/252307976.db2.gz OXMIOMMYOKQVGB-CYBMUJFWSA-N 0 3 344.375 1.096 20 5 EDBDHN C[C@@H]1CCCC[C@]1(C[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000178980476 296361172 /nfs/dbraw/zinc/36/11/72/296361172.db2.gz OYSJNRNVOOXUPZ-BXUZGUMPSA-N 0 3 327.406 1.781 20 5 EDBDHN CCCCN(C)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000112364083 220314472 /nfs/dbraw/zinc/31/44/72/220314472.db2.gz GVSHYAADWDWMEA-UHFFFAOYSA-N 0 3 345.421 1.614 20 5 EDBDHN Cc1nc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450351276 254661979 /nfs/dbraw/zinc/66/19/79/254661979.db2.gz SDMOWNCMQOUJJU-KRWDZBQOSA-N 0 3 343.387 1.742 20 5 EDBDHN CC(C)OCC[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489003394 255062150 /nfs/dbraw/zinc/06/21/50/255062150.db2.gz ADBLMFWKTDXPGP-CQSZACIVSA-N 0 3 326.397 1.604 20 5 EDBDHN CC(C)[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000488012140 255040235 /nfs/dbraw/zinc/04/02/35/255040235.db2.gz SPMDYCKYTMKUMQ-KRWDZBQOSA-N 0 3 346.431 1.756 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000494418601 255250225 /nfs/dbraw/zinc/25/02/25/255250225.db2.gz OQFUAUDIAFRUQV-UHFFFAOYSA-N 0 3 341.433 1.974 20 5 EDBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000264103727 139380649 /nfs/dbraw/zinc/38/06/49/139380649.db2.gz AVAKKUOEWVUBSD-UHFFFAOYSA-N 0 3 349.366 1.969 20 5 EDBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000264103727 139380650 /nfs/dbraw/zinc/38/06/50/139380650.db2.gz AVAKKUOEWVUBSD-UHFFFAOYSA-N 0 3 349.366 1.969 20 5 EDBDHN CS[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000270441389 140100728 /nfs/dbraw/zinc/10/07/28/140100728.db2.gz HWONDNLBSDOKPH-KBPBESRZSA-N 0 3 339.417 1.478 20 5 EDBDHN COc1cc(CCNC(=O)NCCN(C)C)c([N+](=O)[O-])cc1OC ZINC000270550309 140122089 /nfs/dbraw/zinc/12/20/89/140122089.db2.gz AVPPLUHQKXUNPM-UHFFFAOYSA-N 0 3 340.380 1.015 20 5 EDBDHN C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000271428894 140294854 /nfs/dbraw/zinc/29/48/54/140294854.db2.gz RIOUHFAYEGEQPD-GFCCVEGCSA-N 0 3 331.376 1.579 20 5 EDBDHN COCCC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000271509324 140304951 /nfs/dbraw/zinc/30/49/51/140304951.db2.gz SDEXKEQWVQANHS-GFCCVEGCSA-N 0 3 345.421 1.278 20 5 EDBDHN C[C@@]1(CO)CCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331634572 141059704 /nfs/dbraw/zinc/05/97/04/141059704.db2.gz IXCHZCJNKCDVLI-WBVHZDCISA-N 0 3 333.388 1.625 20 5 EDBDHN C[C@@]1(CO)CCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331659711 141063610 /nfs/dbraw/zinc/06/36/10/141063610.db2.gz OAMCXSXPUUJRJY-WBVHZDCISA-N 0 3 333.388 1.625 20 5 EDBDHN CCN1CCC(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000339667822 142113367 /nfs/dbraw/zinc/11/33/67/142113367.db2.gz WHYCKLSWOFPONF-UHFFFAOYSA-N 0 3 348.403 1.120 20 5 EDBDHN Cc1cnc(N[C@@H](CC(C)C)C(=O)NCCN(C)C)c([N+](=O)[O-])c1 ZINC000340081065 142259934 /nfs/dbraw/zinc/25/99/34/142259934.db2.gz ZYCZVRZDHDKXMV-ZDUSSCGKSA-N 0 3 337.424 1.803 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000345873692 143142045 /nfs/dbraw/zinc/14/20/45/143142045.db2.gz IAWUKACGZKPNGE-STQMWFEESA-N 0 3 337.424 1.869 20 5 EDBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000352581587 149073348 /nfs/dbraw/zinc/07/33/48/149073348.db2.gz XITVEBRUTTVCQK-UHFFFAOYSA-N 0 3 336.392 1.497 20 5 EDBDHN CN1CCC(CCO)(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000357529953 151057732 /nfs/dbraw/zinc/05/77/32/151057732.db2.gz YKDUKSUFSOXGSL-UHFFFAOYSA-N 0 3 346.387 1.653 20 5 EDBDHN Cn1c(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)ccc1[N+](=O)[O-] ZINC000357939855 151203441 /nfs/dbraw/zinc/20/34/41/151203441.db2.gz VHIWUIWEDOCVGL-AOOOYVTPSA-N 0 3 330.348 1.839 20 5 EDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000370149005 155348453 /nfs/dbraw/zinc/34/84/53/155348453.db2.gz DKXBUQPRWGTBAP-XJKCOSOUSA-N 0 3 332.404 1.948 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363834914 153070084 /nfs/dbraw/zinc/07/00/84/153070084.db2.gz RRDDXURLYFKFSZ-MQZKNQHPSA-N 0 3 345.399 1.978 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262058921 286351481 /nfs/dbraw/zinc/35/14/81/286351481.db2.gz DSZCIPIOQGJIQW-LBPRGKRZSA-N 0 3 331.394 1.255 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CCCCNC1=O ZINC000364114472 153148819 /nfs/dbraw/zinc/14/88/19/153148819.db2.gz LEBAEDYSYDYBCP-OAHLLOKOSA-N 0 3 348.403 1.832 20 5 EDBDHN CCc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000371844090 156136514 /nfs/dbraw/zinc/13/65/14/156136514.db2.gz IRKHOPXSCCRTDZ-HUUCEWRRSA-N 0 3 333.388 1.750 20 5 EDBDHN COCCNCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417983971 304442287 /nfs/dbraw/zinc/44/22/87/304442287.db2.gz GBFSAIYCUXFLBI-UHFFFAOYSA-N 0 3 344.799 1.326 20 5 EDBDHN CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(O)c1 ZINC000080931432 287309554 /nfs/dbraw/zinc/30/95/54/287309554.db2.gz NVABUKAZLDQLGW-BLLLJJGKSA-N 0 3 334.376 1.941 20 5 EDBDHN COc1ccccc1CCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090526376 287330654 /nfs/dbraw/zinc/33/06/54/287330654.db2.gz RYOKFWIHPNMRKK-UHFFFAOYSA-N 0 3 331.372 1.940 20 5 EDBDHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000171442875 227081325 /nfs/dbraw/zinc/08/13/25/227081325.db2.gz LLOJRGNYAOLGNG-LBPRGKRZSA-N 0 3 334.332 1.813 20 5 EDBDHN O=C(CCN1CCC2(CNC(=O)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000267832541 273021217 /nfs/dbraw/zinc/02/12/17/273021217.db2.gz RNTUAELYVPXMPH-UHFFFAOYSA-N 0 3 346.387 1.526 20 5 EDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176501883 272938157 /nfs/dbraw/zinc/93/81/57/272938157.db2.gz SPVFNEHZZATPSB-LBPRGKRZSA-N 0 3 336.392 1.360 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CCC(O)CC1 ZINC000277000191 273175383 /nfs/dbraw/zinc/17/53/83/273175383.db2.gz DAATWDJLJXFHQX-UHFFFAOYSA-N 0 3 337.376 1.180 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCOC[C@@H]1C ZINC000277945247 273236735 /nfs/dbraw/zinc/23/67/35/273236735.db2.gz RFWDVARHRVPFBS-GMXVVIOVSA-N 0 3 337.376 1.945 20 5 EDBDHN COc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000278074284 273247091 /nfs/dbraw/zinc/24/70/91/273247091.db2.gz JQFZRDPFEXKCPH-ZETCQYMHSA-N 0 3 333.222 1.981 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)COc2ccccc2[N+](=O)[O-])N(C)C1 ZINC000284481264 274217806 /nfs/dbraw/zinc/21/78/06/274217806.db2.gz BIUUHCVIXNFABL-STQMWFEESA-N 0 3 337.376 1.151 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H](C)N1 ZINC000153180334 274330881 /nfs/dbraw/zinc/33/08/81/274330881.db2.gz YVUAUAWFFOKUJS-VXGBXAGGSA-N 0 3 329.360 1.603 20 5 EDBDHN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269609904 276040449 /nfs/dbraw/zinc/04/04/49/276040449.db2.gz QVXZQYGIHHXNAL-NEPJUHHUSA-N 0 3 335.408 1.998 20 5 EDBDHN O=C([C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287496766 288251021 /nfs/dbraw/zinc/25/10/21/288251021.db2.gz TVAJVZYERUKHAP-ZBFHGGJFSA-N 0 3 333.388 1.573 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291702866 289155667 /nfs/dbraw/zinc/15/56/67/289155667.db2.gz FNWIFVZVHSNUGA-AAEUAGOBSA-N 0 3 329.360 1.711 20 5 EDBDHN Cc1cc(OCC(=O)N2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292359914 289325450 /nfs/dbraw/zinc/32/54/50/289325450.db2.gz WAQZDDFBEMTWSO-QGZVFWFLSA-N 0 3 333.388 1.836 20 5 EDBDHN Cc1ccnc(N2CCCC[C@@H](N3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000127050592 302269828 /nfs/dbraw/zinc/26/98/28/302269828.db2.gz UREZJEAHSIAIIN-OAHLLOKOSA-N 0 3 333.436 1.905 20 5 EDBDHN C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295778518 303265363 /nfs/dbraw/zinc/26/53/63/303265363.db2.gz XUCDNBWECGRYGJ-GXTWGEPZSA-N 0 3 348.403 1.182 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc3cccnc32)c1 ZINC000391695243 303851403 /nfs/dbraw/zinc/85/14/03/303851403.db2.gz MKXZOEBEUAQHIC-OAHLLOKOSA-N 0 3 327.344 1.490 20 5 EDBDHN Cc1c(NC(=O)CCN[C@H](CO)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447910809 305288700 /nfs/dbraw/zinc/28/87/00/305288700.db2.gz DIVABLZIKATOSC-UKRRQHHQSA-N 0 3 337.376 1.361 20 5 EDBDHN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCN1CCCC1 ZINC000448602540 305299281 /nfs/dbraw/zinc/29/92/81/305299281.db2.gz BCYFMYKITIIMHZ-UHFFFAOYSA-N 0 3 344.371 1.734 20 5 EDBDHN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCN2CCC[C@@H]2C1 ZINC000448923248 305304240 /nfs/dbraw/zinc/30/42/40/305304240.db2.gz VEDNCCFFJMUPGY-CQSZACIVSA-N 0 3 341.371 1.701 20 5 EDBDHN COc1cc(CCNC(=O)[C@H](C)NC2CC2)c([N+](=O)[O-])cc1OC ZINC000449072225 305305786 /nfs/dbraw/zinc/30/57/86/305305786.db2.gz PFQLIFKTVUVXEB-JTQLQIEISA-N 0 3 337.376 1.411 20 5 EDBDHN COCC(COC)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449548128 305313351 /nfs/dbraw/zinc/31/33/51/305313351.db2.gz ZNMBLTKHZSKMMA-NSHDSACASA-N 0 3 325.365 1.563 20 5 EDBDHN O=C(CCN[C@@H]1C[C@H](O)[C@@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000517372149 305751971 /nfs/dbraw/zinc/75/19/71/305751971.db2.gz VVTCEEAKOZFJSB-IVMMDQJWSA-N 0 3 345.359 1.084 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000555028484 306199797 /nfs/dbraw/zinc/19/97/97/306199797.db2.gz NOFJJBKRYRDZGE-LBPRGKRZSA-N 0 3 348.403 1.554 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000419812927 447426907 /nfs/dbraw/zinc/42/69/07/447426907.db2.gz JENDDFQYAPPDMM-UHFFFAOYSA-N 0 3 334.376 1.361 20 5 EDBDHN C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(C)C1CC1 ZINC000057708915 441129049 /nfs/dbraw/zinc/12/90/49/441129049.db2.gz AKSPSURAUSWPCC-GFCCVEGCSA-N 0 3 343.387 1.993 20 5 EDBDHN C[N@H+](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000104755268 441205068 /nfs/dbraw/zinc/20/50/68/441205068.db2.gz YDBMZTQMZUGZNO-UHFFFAOYSA-N 0 3 333.435 1.809 20 5 EDBDHN C[N@@H+](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000104755268 441205069 /nfs/dbraw/zinc/20/50/69/441205069.db2.gz YDBMZTQMZUGZNO-UHFFFAOYSA-N 0 3 333.435 1.809 20 5 EDBDHN Cn1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1=O ZINC000072665097 441247579 /nfs/dbraw/zinc/24/75/79/441247579.db2.gz KVXBKRPJKYPXPD-CYBMUJFWSA-N 0 3 329.360 1.375 20 5 EDBDHN CN1CCC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000108339732 441448058 /nfs/dbraw/zinc/44/80/58/441448058.db2.gz RGMISYWZXMUSCH-CYBMUJFWSA-N 0 3 343.387 1.852 20 5 EDBDHN Cc1c(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000108618637 441470075 /nfs/dbraw/zinc/47/00/75/441470075.db2.gz ZQDCNTHEWVXWRD-CYBMUJFWSA-N 0 3 346.387 1.442 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000030496586 441494397 /nfs/dbraw/zinc/49/43/97/441494397.db2.gz VZTUGCWXNRVSPJ-UHFFFAOYSA-N 0 3 348.384 1.501 20 5 EDBDHN CCN1CCN(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000112918013 441567535 /nfs/dbraw/zinc/56/75/35/441567535.db2.gz IGCAEWLGTMJGEW-UHFFFAOYSA-N 0 3 340.811 1.616 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C)cc1OC ZINC000033093792 441588022 /nfs/dbraw/zinc/58/80/22/441588022.db2.gz RYWLJTANZQXKGS-SNVBAGLBSA-N 0 3 325.365 1.682 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000173336684 441717199 /nfs/dbraw/zinc/71/71/99/441717199.db2.gz IZZWLPFYVNZWDE-ZYHUDNBSSA-N 0 3 343.405 1.399 20 5 EDBDHN C[C@H](NCCCN1C(=O)NC(C)(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173417897 441743351 /nfs/dbraw/zinc/74/33/51/441743351.db2.gz IENQFEGWJYEFJZ-NSHDSACASA-N 0 3 334.376 1.966 20 5 EDBDHN CCc1ccc([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000043271969 441827502 /nfs/dbraw/zinc/82/75/02/441827502.db2.gz NFCCCEYWCWQZNU-OAHLLOKOSA-N 0 3 345.403 1.773 20 5 EDBDHN C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000122055248 441833155 /nfs/dbraw/zinc/83/31/55/441833155.db2.gz QWZIUGHKFYTSFL-AWEZNQCLSA-N 0 3 334.420 1.137 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000124461496 441928709 /nfs/dbraw/zinc/92/87/09/441928709.db2.gz QBMMENSGYGUNJN-UHFFFAOYSA-N 0 3 333.392 1.043 20 5 EDBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000078507352 441939702 /nfs/dbraw/zinc/93/97/02/441939702.db2.gz WIHRXFUQSOJPLM-CYBMUJFWSA-N 0 3 328.376 1.678 20 5 EDBDHN COCCN(C)CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175478345 442070857 /nfs/dbraw/zinc/07/08/57/442070857.db2.gz OGHUGIPIHBKYCE-UHFFFAOYSA-N 0 3 329.784 1.946 20 5 EDBDHN CSCC[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000165539247 442210371 /nfs/dbraw/zinc/21/03/71/442210371.db2.gz GCMXJCBBIPBSBX-AWEZNQCLSA-N 0 3 338.433 1.324 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(C2CCCCC2)CC1 ZINC000154720308 442353128 /nfs/dbraw/zinc/35/31/28/442353128.db2.gz XTJUTYAMZVLYKK-UHFFFAOYSA-N 0 3 348.403 1.233 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171903303 442389677 /nfs/dbraw/zinc/38/96/77/442389677.db2.gz PZKHQBKVTGKYPC-OAHLLOKOSA-N 0 3 336.392 1.505 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000177584531 442359914 /nfs/dbraw/zinc/35/99/14/442359914.db2.gz BQHCDZAVZFCTBO-HNNXBMFYSA-N 0 3 338.408 1.841 20 5 EDBDHN O=C1CCCN1C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000179548848 442473928 /nfs/dbraw/zinc/47/39/28/442473928.db2.gz XBDVHGXWJQNGCD-OAHLLOKOSA-N 0 3 343.387 1.745 20 5 EDBDHN O=C(NC[C@@H]1CNCCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000157354738 442575375 /nfs/dbraw/zinc/57/53/75/442575375.db2.gz XJGJWMNXVCWIID-NSHDSACASA-N 0 3 344.165 1.076 20 5 EDBDHN CCCN1CCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135537268 442609405 /nfs/dbraw/zinc/60/94/05/442609405.db2.gz WUDLSJMMHVOSDS-ZFWWWQNUSA-N 0 3 347.419 1.877 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@H]2CCC[C@@H](C1)C2O ZINC000181889683 442720644 /nfs/dbraw/zinc/72/06/44/442720644.db2.gz ORRUGTYGZCBKPL-QYCFJQJSSA-N 0 3 336.388 1.427 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000193244422 442725636 /nfs/dbraw/zinc/72/56/36/442725636.db2.gz PBGBEPOXDZPWIE-GFCCVEGCSA-N 0 3 327.406 1.490 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265558400 442823803 /nfs/dbraw/zinc/82/38/03/442823803.db2.gz LLXCVZFKHOTAHB-GFCCVEGCSA-N 0 3 341.795 1.628 20 5 EDBDHN CC[C@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000296586069 318708873 /nfs/dbraw/zinc/70/88/73/318708873.db2.gz URCPYNXWUOEBLR-WCQYABFASA-N 0 3 329.422 1.882 20 5 EDBDHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000298603871 318830892 /nfs/dbraw/zinc/83/08/92/318830892.db2.gz LIGKVGQEUHIENJ-UHFFFAOYSA-N 0 3 342.783 1.643 20 5 EDBDHN CC(C)COC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304316532 318917747 /nfs/dbraw/zinc/91/77/47/318917747.db2.gz ONUQWMCJEOXNHM-AWEZNQCLSA-N 0 3 326.397 1.289 20 5 EDBDHN O=C(CN1CCN2CCC[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000269476986 443318866 /nfs/dbraw/zinc/31/88/66/443318866.db2.gz VSVLHSWTRYGWBM-NSHDSACASA-N 0 3 348.359 1.042 20 5 EDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000282563950 443375469 /nfs/dbraw/zinc/37/54/69/443375469.db2.gz RNEFTEQIQOFVTC-UHFFFAOYSA-N 0 3 338.339 1.191 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@@H]2CN)cc1[N+](=O)[O-] ZINC000419276566 319580702 /nfs/dbraw/zinc/58/07/02/319580702.db2.gz TWTULDOYRMLEFH-WCQYABFASA-N 0 3 334.376 1.030 20 5 EDBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCCCCC1 ZINC000267171715 443366059 /nfs/dbraw/zinc/36/60/59/443366059.db2.gz CGRYAMIVRQLCAX-UHFFFAOYSA-N 0 3 342.421 1.530 20 5 EDBDHN CN(CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000272867804 443472511 /nfs/dbraw/zinc/47/25/11/443472511.db2.gz RBPWGVKUSPRVEJ-UHFFFAOYSA-N 0 3 340.767 1.397 20 5 EDBDHN CON1CCC(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000421207735 319677421 /nfs/dbraw/zinc/67/74/21/319677421.db2.gz LHGPEIOFHGETTJ-HNNXBMFYSA-N 0 3 334.376 1.316 20 5 EDBDHN C[C@H](CN1CCCCC1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272936930 443495154 /nfs/dbraw/zinc/49/51/54/443495154.db2.gz URWRIWGSIBFRRL-LLVKDONJSA-N 0 3 342.421 1.529 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272219145 443560268 /nfs/dbraw/zinc/56/02/68/443560268.db2.gz KDPYWGISTVGEEA-SNVBAGLBSA-N 0 3 335.389 1.814 20 5 EDBDHN Cc1n[nH]c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000274297689 443602948 /nfs/dbraw/zinc/60/29/48/443602948.db2.gz PFAFWSVGJAFPAU-RISCZKNCSA-N 0 3 343.387 1.877 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCCCN1CCO ZINC000449390336 320187829 /nfs/dbraw/zinc/18/78/29/320187829.db2.gz GJGOUJQRXMMKGP-INIZCTEOSA-N 0 3 337.420 1.930 20 5 EDBDHN CC(C)(C(=O)N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449662933 320197856 /nfs/dbraw/zinc/19/78/56/320197856.db2.gz HTWQDDAIXGRGDX-GFCCVEGCSA-N 0 3 327.331 1.986 20 5 EDBDHN Cc1[nH]nc(C(=O)[N-]c2c[nH+]ccc2N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000521477786 320483635 /nfs/dbraw/zinc/48/36/35/320483635.db2.gz BILPYBLLEWARSX-UHFFFAOYSA-N 0 3 345.363 1.025 20 5 EDBDHN CN1CC[C@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285310896 443937356 /nfs/dbraw/zinc/93/73/56/443937356.db2.gz QMFNQTBZPCUTGK-YCZSJOHXSA-N 0 3 331.372 1.540 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000299395402 444036115 /nfs/dbraw/zinc/03/61/15/444036115.db2.gz ULJGMLRBQIHUKS-JSGCOSHPSA-N 0 3 348.403 1.687 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ncnc3c2CN(C)CC3)c1 ZINC000299644007 444104109 /nfs/dbraw/zinc/10/41/09/444104109.db2.gz WJUJLGMAOGCVQG-UHFFFAOYSA-N 0 3 344.327 1.952 20 5 EDBDHN CO[C@H]1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000571552045 321391429 /nfs/dbraw/zinc/39/14/29/321391429.db2.gz NQIPCZAQTJSZTI-AAEUAGOBSA-N 0 3 328.390 1.526 20 5 EDBDHN Cn1ccnc1[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587364 321393371 /nfs/dbraw/zinc/39/33/71/321393371.db2.gz PUFZIOCEXKEDDB-KGLIPLIRSA-N 0 3 346.387 1.558 20 5 EDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)nc1 ZINC000302243535 444210998 /nfs/dbraw/zinc/21/09/98/444210998.db2.gz ZBSQFKZJWJXOJJ-ZFWWWQNUSA-N 0 3 329.360 1.432 20 5 EDBDHN CC(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)N1CCN(C)CC1 ZINC000301940512 444197397 /nfs/dbraw/zinc/19/73/97/444197397.db2.gz UILVAQTYIWWFEL-ZDUSSCGKSA-N 0 3 347.423 1.321 20 5 EDBDHN CN(C)CCN1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301936602 444197506 /nfs/dbraw/zinc/19/75/06/444197506.db2.gz RNADLDPBBUWTJZ-UHFFFAOYSA-N 0 3 333.396 1.075 20 5 EDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000296579494 444239530 /nfs/dbraw/zinc/23/95/30/444239530.db2.gz UFOGGMNHCWLFJR-NEPJUHHUSA-N 0 3 329.422 1.882 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000319815959 444325894 /nfs/dbraw/zinc/32/58/94/444325894.db2.gz LFTNCPALPHQEMZ-LBPRGKRZSA-N 0 3 339.417 1.856 20 5 EDBDHN CS(=O)(=O)N1CCC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577648811 321670848 /nfs/dbraw/zinc/67/08/48/321670848.db2.gz KLGFAIUFJJWZFX-SMDDNHRTSA-N 0 3 339.417 1.596 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000577952322 321698900 /nfs/dbraw/zinc/69/89/00/321698900.db2.gz DBQMDUKOSXAVQM-JGVFFNPUSA-N 0 3 335.357 1.147 20 5 EDBDHN Cn1ncc2c1CCC[C@@H]2NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581186286 322146302 /nfs/dbraw/zinc/14/63/02/322146302.db2.gz PKNDOPCXFPVCGX-BBRMVZONSA-N 0 3 346.387 1.735 20 5 EDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2ccncc2OC)CC1 ZINC000340872882 444553544 /nfs/dbraw/zinc/55/35/44/444553544.db2.gz PXVPKJAUBKWLQA-UHFFFAOYSA-N 0 3 346.391 1.850 20 5 EDBDHN O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000342209594 444566622 /nfs/dbraw/zinc/56/66/22/444566622.db2.gz SXEKQYHEEVFHPH-ZIAGYGMSSA-N 0 3 344.371 1.288 20 5 EDBDHN O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000342209594 444566626 /nfs/dbraw/zinc/56/66/26/444566626.db2.gz SXEKQYHEEVFHPH-ZIAGYGMSSA-N 0 3 344.371 1.288 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)C[C@@H]1C ZINC000343795665 444597141 /nfs/dbraw/zinc/59/71/41/444597141.db2.gz XVOXFHLOUMFDPS-LBPRGKRZSA-N 0 3 336.392 1.568 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2C[C@H](OC)CN2C)c1 ZINC000343880336 444643001 /nfs/dbraw/zinc/64/30/01/444643001.db2.gz QWHFXPUXXNVIBH-OLZOCXBDSA-N 0 3 337.376 1.537 20 5 EDBDHN COC(=O)c1cn(CCNC/C=C\c2ccccc2[N+](=O)[O-])nn1 ZINC000341257265 444751602 /nfs/dbraw/zinc/75/16/02/444751602.db2.gz URUMUULYGKEUPC-XQRVVYSFSA-N 0 3 331.332 1.276 20 5 EDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000344607424 445085379 /nfs/dbraw/zinc/08/53/79/445085379.db2.gz LBOBQICMJWVSCN-ZDUSSCGKSA-N 0 3 337.424 1.763 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@]3(C2)CCCOC3)c1 ZINC000341981028 445106449 /nfs/dbraw/zinc/10/64/49/445106449.db2.gz DPBQYBCPYJGYKD-DOTOQJQBSA-N 0 3 336.388 1.837 20 5 EDBDHN C[C@H]1[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCN1C ZINC000343473927 445229810 /nfs/dbraw/zinc/22/98/10/445229810.db2.gz CMQNVIOZAHMNAN-SWLSCSKDSA-N 0 3 343.387 1.993 20 5 EDBDHN C[C@@H]1[C@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCCN1C ZINC000343561645 445244546 /nfs/dbraw/zinc/24/45/46/445244546.db2.gz QHIJLJZDTIKIFY-ZYHUDNBSSA-N 0 3 348.359 1.102 20 5 EDBDHN Cc1cc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)n[nH]1 ZINC000362711153 445512551 /nfs/dbraw/zinc/51/25/51/445512551.db2.gz NZZSZSIATPWEGS-CYBMUJFWSA-N 0 3 331.376 1.668 20 5 EDBDHN Cc1cc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH]n1 ZINC000362711153 445512554 /nfs/dbraw/zinc/51/25/54/445512554.db2.gz NZZSZSIATPWEGS-CYBMUJFWSA-N 0 3 331.376 1.668 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3ccccn3)CC2)c1 ZINC000362758444 445535375 /nfs/dbraw/zinc/53/53/75/445535375.db2.gz KKKZOOIYERYCTM-OAHLLOKOSA-N 0 3 331.376 1.427 20 5 EDBDHN CN(C)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000353830524 445775141 /nfs/dbraw/zinc/77/51/41/445775141.db2.gz ZMXPKXXSWQOUOW-UHFFFAOYSA-N 0 3 345.359 1.765 20 5 EDBDHN COC(=O)C1CCN(CCCNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000354076218 445888976 /nfs/dbraw/zinc/88/89/76/445888976.db2.gz RGPRKGKWAVCLQV-UHFFFAOYSA-N 0 3 336.392 1.985 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CNCCN1C(=O)NC2(CCCC2)C1=O ZINC000359137307 445974444 /nfs/dbraw/zinc/97/44/44/445974444.db2.gz HPEVBYBLUUJBEI-UHFFFAOYSA-N 0 3 346.387 1.857 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000354190992 445984879 /nfs/dbraw/zinc/98/48/79/445984879.db2.gz MTGSPQAGVVKFNS-OAHLLOKOSA-N 0 3 348.403 1.552 20 5 EDBDHN Cc1c(CNC(=O)Nc2ccn(CCN(C)C)n2)cccc1[N+](=O)[O-] ZINC000361790386 445946769 /nfs/dbraw/zinc/94/67/69/445946769.db2.gz UGRZTRSNLKDRSC-UHFFFAOYSA-N 0 3 346.391 1.983 20 5 EDBDHN CCO[C@@H]1COCC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000362030304 446167298 /nfs/dbraw/zinc/16/72/98/446167298.db2.gz VXVWEDFXPHPABH-OWCLPIDISA-N 0 3 349.387 1.484 20 5 EDBDHN CC(C)c1ccc(CN2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366478182 446231488 /nfs/dbraw/zinc/23/14/88/446231488.db2.gz DCOCFAJSMZHDPX-ZIAGYGMSSA-N 0 3 331.372 1.813 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000362186595 446251560 /nfs/dbraw/zinc/25/15/60/446251560.db2.gz ZQUYKKZQKXHQEF-ZDUSSCGKSA-N 0 3 325.365 1.539 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000370706405 446395864 /nfs/dbraw/zinc/39/58/64/446395864.db2.gz BESFOPQQZXPPQU-HZPDHXFCSA-N 0 3 331.376 1.774 20 5 EDBDHN CC(C)NC(=O)c1ccc(N2CCNC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420260999 446436656 /nfs/dbraw/zinc/43/66/56/446436656.db2.gz JVVZDESWOHYBQY-MRXNPFEDSA-N 0 3 338.383 1.871 20 5 EDBDHN C[C@@]1(F)CNCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420342902 446516076 /nfs/dbraw/zinc/51/60/76/446516076.db2.gz VYQDDUWKWWTITC-CQSZACIVSA-N 0 3 344.774 1.820 20 5 EDBDHN C[C@H]1OCC[C@@H]1N(CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411665959 446638781 /nfs/dbraw/zinc/63/87/81/446638781.db2.gz UIFYHPAEJZBSIY-DOMZBBRYSA-N 0 3 337.376 1.395 20 5 EDBDHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423706202 446650764 /nfs/dbraw/zinc/65/07/64/446650764.db2.gz QFMXGKZXPFIGFE-GXTWGEPZSA-N 0 3 348.403 1.106 20 5 EDBDHN Nc1nc(NCCN2CCC3(CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000440665172 446849922 /nfs/dbraw/zinc/84/99/22/446849922.db2.gz AYUVLVCTBINXQR-UHFFFAOYSA-N 0 3 334.424 1.847 20 5 EDBDHN Cc1nn(CCC(=O)N2C[C@H](N)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000424078261 446842922 /nfs/dbraw/zinc/84/29/22/446842922.db2.gz QDYOSIYUYXEQHL-CQSZACIVSA-N 0 3 343.387 1.715 20 5 EDBDHN Cc1c(NC(=O)NC[C@@H]2CCCCN2CCO)cccc1[N+](=O)[O-] ZINC000454193885 446804001 /nfs/dbraw/zinc/80/40/01/446804001.db2.gz FFZFFOXJNJITSB-ZDUSSCGKSA-N 0 3 336.392 1.872 20 5 EDBDHN CNc1nc(C(=O)NC[C@@H](C)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000455100649 447050135 /nfs/dbraw/zinc/05/01/35/447050135.db2.gz NVEFJBCSPPAPFM-GFCCVEGCSA-N 0 3 335.408 1.882 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375831072 447087086 /nfs/dbraw/zinc/08/70/86/447087086.db2.gz MIDAXZPHKRTLJH-GOEBONIOSA-N 0 3 332.404 1.873 20 5 EDBDHN COC(=O)c1cn([C@@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000368856983 447163245 /nfs/dbraw/zinc/16/32/45/447163245.db2.gz RQXOXCLYMOBTEL-CQSZACIVSA-N 0 3 345.359 1.462 20 5 EDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425552865 447227626 /nfs/dbraw/zinc/22/76/26/447227626.db2.gz SLQGMFMRYJNQDA-MNOVXSKESA-N 0 3 330.348 1.529 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000421709174 447228291 /nfs/dbraw/zinc/22/82/91/447228291.db2.gz CVPKPXQUDICVJA-CQSZACIVSA-N 0 3 343.387 1.947 20 5 EDBDHN CN(C)CCN1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000369028565 447275142 /nfs/dbraw/zinc/27/51/42/447275142.db2.gz XBRCATMAGKGCDL-UHFFFAOYSA-N 0 3 335.408 1.696 20 5 EDBDHN CC[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N(CC)CC ZINC000457129584 447530082 /nfs/dbraw/zinc/53/00/82/447530082.db2.gz WOEHLRPPQSOQHS-CQSZACIVSA-N 0 3 349.435 1.759 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCNCc2cccnc2)n1 ZINC000420190492 447663138 /nfs/dbraw/zinc/66/31/38/447663138.db2.gz VTTMHQYUQAJAIL-UHFFFAOYSA-N 0 3 345.359 1.763 20 5 EDBDHN CN1CC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000571155178 448111723 /nfs/dbraw/zinc/11/17/23/448111723.db2.gz WWJFBAMYVOSQLX-KCJUWKMLSA-N 0 3 327.182 1.893 20 5 EDBDHN CNc1nccc(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000557564405 448186190 /nfs/dbraw/zinc/18/61/90/448186190.db2.gz ITKQRRYAOQHPLA-LBPRGKRZSA-N 0 3 349.435 2.272 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])c2ccccc2O1 ZINC000591319562 448319637 /nfs/dbraw/zinc/31/96/37/448319637.db2.gz GEQSTHLWVPTVFB-JTQLQIEISA-N 0 3 331.332 1.287 20 5 EDBDHN CCC[C@H](C)[C@H](CO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000583086959 448421933 /nfs/dbraw/zinc/42/19/33/448421933.db2.gz BOAQQPCYJSYCGB-WFASDCNBSA-N 0 3 335.404 1.871 20 5 EDBDHN CCN1CC[C@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@H]1C ZINC000566444170 448471756 /nfs/dbraw/zinc/47/17/56/448471756.db2.gz BHYTVBHBZYWTMM-NEPJUHHUSA-N 0 3 335.408 1.976 20 5 EDBDHN Cc1ccc2c(c1C)OC[C@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591733508 448474667 /nfs/dbraw/zinc/47/46/67/448474667.db2.gz ARYJAFUUTCLUQK-DZGCQCFKSA-N 0 3 332.360 1.492 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H]2OCCc3ccccc32)c1 ZINC000591739701 448477735 /nfs/dbraw/zinc/47/77/35/448477735.db2.gz UUBYSOFTGVSLQT-GOEBONIOSA-N 0 3 332.360 1.056 20 5 EDBDHN CCN(C)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572899430 448492750 /nfs/dbraw/zinc/49/27/50/448492750.db2.gz OAPCRXFJPQJPEO-UHFFFAOYSA-N 0 3 333.392 1.870 20 5 EDBDHN CCS(=O)(=O)CCCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566673887 448534312 /nfs/dbraw/zinc/53/43/12/448534312.db2.gz FLYWMMAOUKQXEF-UHFFFAOYSA-N 0 3 343.405 1.338 20 5 EDBDHN COC[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131018 448700938 /nfs/dbraw/zinc/70/09/38/448700938.db2.gz PUAPBCNZZCDJKM-BZUAXINKSA-N 0 3 338.404 1.708 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@H]1C(F)F ZINC000579122695 448721597 /nfs/dbraw/zinc/72/15/97/448721597.db2.gz IQWOCCJFRXDQEC-NSHDSACASA-N 0 3 344.318 1.081 20 5 EDBDHN O=C(C[C@H]1CSCCN1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000579586372 448827100 /nfs/dbraw/zinc/82/71/00/448827100.db2.gz MCOMAFKEHOSTMR-NSHDSACASA-N 0 3 347.400 2.019 20 5 EDBDHN CC(C)Oc1nc(N[C@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000568782545 448919603 /nfs/dbraw/zinc/91/96/03/448919603.db2.gz TWWDFSNRNGFZIR-ZDUSSCGKSA-N 0 3 338.408 2.036 20 5 EDBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000547730511 448920632 /nfs/dbraw/zinc/92/06/32/448920632.db2.gz XATCOBIXTIYOKC-IJLUTSLNSA-N 0 3 335.408 1.668 20 5 EDBDHN C[C@@H]1CCN(CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000521929401 449029274 /nfs/dbraw/zinc/02/92/74/449029274.db2.gz RHFQWFPEAZTASV-CYBMUJFWSA-N 0 3 341.433 1.399 20 5 EDBDHN CNc1ccc(C(=O)N2CCOC3(CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000592898077 449041798 /nfs/dbraw/zinc/04/17/98/449041798.db2.gz BGWQMVUYXCQANY-UHFFFAOYSA-N 0 3 348.403 1.573 20 5 EDBDHN CO[C@]1(CO)CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595657985 449101625 /nfs/dbraw/zinc/10/16/25/449101625.db2.gz GIPOMWRKLLRWFS-MRXNPFEDSA-N 0 3 337.376 1.397 20 5 EDBDHN C[N@@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593605690 449103170 /nfs/dbraw/zinc/10/31/70/449103170.db2.gz JOUXDDGGJCZYDS-LLVKDONJSA-N 0 3 328.394 1.000 20 5 EDBDHN C[N@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593605690 449103172 /nfs/dbraw/zinc/10/31/72/449103172.db2.gz JOUXDDGGJCZYDS-LLVKDONJSA-N 0 3 328.394 1.000 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590281836 449124094 /nfs/dbraw/zinc/12/40/94/449124094.db2.gz SEDABKKRSXXLOV-DOMZBBRYSA-N 0 3 346.387 1.258 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590282239 449124712 /nfs/dbraw/zinc/12/47/12/449124712.db2.gz UPPDUIOTYHGNPS-BXUZGUMPSA-N 0 3 332.360 1.004 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595780826 449161855 /nfs/dbraw/zinc/16/18/55/449161855.db2.gz ITWFWICYPXIMDI-VQISRLSMSA-N 0 3 349.387 1.824 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]CCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000593733678 449169663 /nfs/dbraw/zinc/16/96/63/449169663.db2.gz YRDTZUVDSXGXGR-UHFFFAOYSA-N 0 3 343.405 1.271 20 5 EDBDHN COc1ccc(OCCN2CC[C@H]3NC(=O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595742101 449141788 /nfs/dbraw/zinc/14/17/88/449141788.db2.gz NWLKPZVIXNADSL-TZMCWYRMSA-N 0 3 349.387 1.583 20 5 EDBDHN O=C1CCCN1C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595834069 449197149 /nfs/dbraw/zinc/19/71/49/449197149.db2.gz YDSVUZJMGVQOBR-AWEZNQCLSA-N 0 3 333.388 1.918 20 5 EDBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000590752386 449272426 /nfs/dbraw/zinc/27/24/26/449272426.db2.gz MLFDUVZOXXFNHS-HONMWMINSA-N 0 3 335.360 1.853 20 5 EDBDHN CNc1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000604511303 449240992 /nfs/dbraw/zinc/24/09/92/449240992.db2.gz RNLVYKXPNIKFCD-UHFFFAOYSA-N 0 3 332.364 1.647 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(c2ccncc2)CC1 ZINC000604529849 449246734 /nfs/dbraw/zinc/24/67/34/449246734.db2.gz UPKJZYQCRPDRFE-UHFFFAOYSA-N 0 3 344.375 1.234 20 5 EDBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000598193993 449289656 /nfs/dbraw/zinc/28/96/56/449289656.db2.gz CUHFHKILOYYRJC-AWEZNQCLSA-N 0 3 343.387 1.707 20 5 EDBDHN Cc1c(CN)c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)nn1C ZINC000595959133 449282011 /nfs/dbraw/zinc/28/20/11/449282011.db2.gz BOTDVESJAXHCEL-JTQLQIEISA-N 0 3 349.416 2.215 20 5 EDBDHN CC[NH+]1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593535166 449331090 /nfs/dbraw/zinc/33/10/90/449331090.db2.gz JHBJJAXQAKZHSU-UHFFFAOYSA-N 0 3 328.394 1.000 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600472047 449396901 /nfs/dbraw/zinc/39/69/01/449396901.db2.gz MJZBJDNJVAOFJT-AWEZNQCLSA-N 0 3 335.408 1.623 20 5 EDBDHN COC(=O)[C@](C)(NC(=O)Cc1nc[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000600539174 449431862 /nfs/dbraw/zinc/43/18/62/449431862.db2.gz ZBWPNUBHVVVXIB-MRXNPFEDSA-N 0 3 346.343 1.373 20 5 EDBDHN O=C1[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C1CCC1 ZINC000600759448 449537366 /nfs/dbraw/zinc/53/73/66/449537366.db2.gz GPNKJGNFOHHECA-KBPBESRZSA-N 0 3 349.387 1.078 20 5 EDBDHN O=[N+]([O-])c1cnccc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596422794 449495921 /nfs/dbraw/zinc/49/59/21/449495921.db2.gz GKPYOZQVVZUJRE-OAHLLOKOSA-N 0 3 328.372 1.590 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602310538 449505188 /nfs/dbraw/zinc/50/51/88/449505188.db2.gz VUUQBRKEISYIKK-ZDUSSCGKSA-N 0 3 329.360 1.789 20 5 EDBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594601538 449590749 /nfs/dbraw/zinc/59/07/49/449590749.db2.gz CLACCAYKQOYYPH-NWDGAFQWSA-N 0 3 344.371 1.407 20 5 EDBDHN COC(=O)c1ccnc(N2CCc3nccc(N)c3C2)c1[N+](=O)[O-] ZINC000598942679 449661473 /nfs/dbraw/zinc/66/14/73/449661473.db2.gz OFEJXNOMHXWGLZ-UHFFFAOYSA-N 0 3 329.316 1.316 20 5 EDBDHN Cc1ccc(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000598994717 449686347 /nfs/dbraw/zinc/68/63/47/449686347.db2.gz HRQIECCMJZCICV-ZIAGYGMSSA-N 0 3 341.433 1.853 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@]1(CO)COCC2(CCC2)N1C ZINC000598991201 449683858 /nfs/dbraw/zinc/68/38/58/449683858.db2.gz WEMZXCYGHYRZDW-SFHVURJKSA-N 0 3 349.431 1.609 20 5 EDBDHN NCc1cn([C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000598913282 449644532 /nfs/dbraw/zinc/64/45/32/449644532.db2.gz HUEWGFJFYKHTDM-CQSZACIVSA-N 0 3 345.363 1.514 20 5 EDBDHN COC[C@H](CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000594956162 449819059 /nfs/dbraw/zinc/81/90/59/449819059.db2.gz VGPXIUKGOZQJNU-LBPRGKRZSA-N 0 3 326.349 1.507 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000602828811 449839517 /nfs/dbraw/zinc/83/95/17/449839517.db2.gz UZBIBFDWEWXONS-KRWDZBQOSA-N 0 3 343.431 1.958 20 5 EDBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)nc1-c1ccccc1 ZINC000599199666 449793610 /nfs/dbraw/zinc/79/36/10/449793610.db2.gz OWVODEIOEZTBCI-AWEZNQCLSA-N 0 3 328.372 2.135 20 5 EDBDHN O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)CCCN1CCCC1 ZINC000601350656 449863963 /nfs/dbraw/zinc/86/39/63/449863963.db2.gz UPUGDVGIEFQWDL-UHFFFAOYSA-N 0 3 339.417 1.773 20 5 EDBDHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000597190442 449865042 /nfs/dbraw/zinc/86/50/42/449865042.db2.gz JZUSXGRZEDXGJO-OSAQELSMSA-N 0 3 342.417 1.318 20 5 EDBDHN CCc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601420212 449937230 /nfs/dbraw/zinc/93/72/30/449937230.db2.gz CEGWFJRTRCUVHX-BXUZGUMPSA-N 0 3 341.433 1.870 20 5 EDBDHN CN1CCCC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599415250 449961101 /nfs/dbraw/zinc/96/11/01/449961101.db2.gz LVYMQXLMFYAOCH-CQSZACIVSA-N 0 3 341.433 1.746 20 5 EDBDHN COc1ccc(CNCCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000609288331 449998292 /nfs/dbraw/zinc/99/82/92/449998292.db2.gz XQTLDJJUOMPVMV-UHFFFAOYSA-N 0 3 343.405 1.119 20 5 EDBDHN Cc1noc(CN2CCC(CCN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595297642 450011745 /nfs/dbraw/zinc/01/17/45/450011745.db2.gz IEKKJBNIFVGKGV-UHFFFAOYSA-N 0 3 338.408 1.826 20 5 EDBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000615293334 450050527 /nfs/dbraw/zinc/05/05/27/450050527.db2.gz JRLKZXKOFSAUFO-HUUCEWRRSA-N 0 3 341.433 1.539 20 5 EDBDHN Cc1noc(CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595406334 450117701 /nfs/dbraw/zinc/11/77/01/450117701.db2.gz CBXDMXVKHXLULL-JSGCOSHPSA-N 0 3 337.424 1.349 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](CCO)C1 ZINC000610213830 450154578 /nfs/dbraw/zinc/15/45/78/450154578.db2.gz USEZOMPIRDVSJC-CYBMUJFWSA-N 0 3 349.387 1.987 20 5 EDBDHN O=C(CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NC1CCCC1 ZINC000618571663 450249394 /nfs/dbraw/zinc/24/93/94/450249394.db2.gz HDICOXOFKKMHLI-KGLIPLIRSA-N 0 3 335.408 1.923 20 5 EDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619498444 450492328 /nfs/dbraw/zinc/49/23/28/450492328.db2.gz DSOONQDRNWMMBV-LLVKDONJSA-N 0 3 345.421 1.612 20 5 EDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000183339264 527500725 /nfs/dbraw/zinc/50/07/25/527500725.db2.gz LXABBWIMIPZEKM-VWILAXROSA-N 0 3 347.415 1.961 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184403585 529146991 /nfs/dbraw/zinc/14/69/91/529146991.db2.gz HZAPAXWRFOQRBJ-ZDUSSCGKSA-N 0 3 349.435 1.180 20 5 EDBDHN CN(C)CCOCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000345925602 535895763 /nfs/dbraw/zinc/89/57/63/535895763.db2.gz DHVXGZXMUCTLJG-UHFFFAOYSA-N 0 3 334.376 1.313 20 5 EDBDHN CN(CCN1CCCC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067300239 536371686 /nfs/dbraw/zinc/37/16/86/536371686.db2.gz NTFRENSSKZKBNZ-UHFFFAOYSA-N 0 3 344.375 1.343 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000353232767 536476588 /nfs/dbraw/zinc/47/65/88/536476588.db2.gz LULLUSJKUSGJHJ-CHWSQXEVSA-N 0 3 338.360 1.804 20 5 EDBDHN C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000729497271 578577838 /nfs/dbraw/zinc/57/78/38/578577838.db2.gz PYZKETXZIXDDIL-RCBQFDQVSA-N 0 3 348.403 1.818 20 5 EDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000734447432 578814776 /nfs/dbraw/zinc/81/47/76/578814776.db2.gz OKGJNOSCVQIXFS-AWEZNQCLSA-N 0 3 349.387 1.586 20 5 EDBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CCN(C2CC2)C1 ZINC000746883054 579614331 /nfs/dbraw/zinc/61/43/31/579614331.db2.gz PMNPNEVKMLIINW-LBPRGKRZSA-N 0 3 329.360 1.297 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CN4CCC[C@@H]4CO3)c21 ZINC000754026874 579894267 /nfs/dbraw/zinc/89/42/67/579894267.db2.gz VVTWYCHTUGPCLC-VXGBXAGGSA-N 0 3 329.360 1.813 20 5 EDBDHN Cc1c(NC(=O)[C@H](C)OC(=O)C2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000772520912 580314205 /nfs/dbraw/zinc/31/42/05/580314205.db2.gz QUMPUJXUSYISIM-WDEREUQCSA-N 0 3 349.343 1.252 20 5 EDBDHN CN(C)CCOCCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778423569 580464883 /nfs/dbraw/zinc/46/48/83/580464883.db2.gz SPWYDBBCMYLQQF-UHFFFAOYSA-N 0 3 331.319 1.381 20 5 EDBDHN CC(C)N1CCN(CCCOC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000792019756 580807984 /nfs/dbraw/zinc/80/79/84/580807984.db2.gz HYCIKLUQWBBMEE-UHFFFAOYSA-N 0 3 336.392 1.563 20 5 EDBDHN CN1C[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000893266848 590744620 /nfs/dbraw/zinc/74/46/20/590744620.db2.gz UVJPMSWICXDVLZ-PBHICJAKSA-N 0 3 332.404 1.730 20 5 EDBDHN CN1CCN(C)CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000888998925 590753701 /nfs/dbraw/zinc/75/37/01/590753701.db2.gz RBBUIOUEWUWTDK-YVMONPNESA-N 0 3 332.404 1.314 20 5 EDBDHN CC(COC(=O)CSCC(=O)N(C)C1CCCCC1)[N+](=O)[O-] ZINC000813109251 590833506 /nfs/dbraw/zinc/83/35/06/590833506.db2.gz HMACGJBUZMBCFK-LLVKDONJSA-N 0 3 332.422 1.719 20 5 EDBDHN COc1ccc(CNC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000892211683 590865868 /nfs/dbraw/zinc/86/58/68/590865868.db2.gz LBDYLTZEXRWARW-OCCSQVGLSA-N 0 3 334.376 1.449 20 5 EDBDHN COc1cc([C@@H](C)N[C@H]2CCc3nnn(C)c3C2)cc([N+](=O)[O-])c1 ZINC000903224852 592136478 /nfs/dbraw/zinc/13/64/78/592136478.db2.gz BUQFNHLHKXNONU-PWSUYJOCSA-N 0 3 331.376 1.940 20 5 EDBDHN C[C@H](CN[C@H]1C(=O)NCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000903244682 592143654 /nfs/dbraw/zinc/14/36/54/592143654.db2.gz BCNTXZWTQAFQAS-DOMZBBRYSA-N 0 3 333.388 1.583 20 5 EDBDHN CN(C)CCn1nccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000908127040 592341760 /nfs/dbraw/zinc/34/17/60/592341760.db2.gz WMDPPSDZPPAJCH-UHFFFAOYSA-N 0 3 345.403 1.668 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907113987 592517012 /nfs/dbraw/zinc/51/70/12/592517012.db2.gz GCBRHQJHTOFTEY-HNNXBMFYSA-N 0 3 343.811 1.610 20 5 EDBDHN CN1CCCC[C@H]1CCC(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000803858393 593369309 /nfs/dbraw/zinc/36/93/09/593369309.db2.gz FBZJIADARYNTBI-ZDUSSCGKSA-N 0 3 337.376 1.564 20 5 EDBDHN CN(C)CCn1nnnc1SCc1cc(F)ccc1[N+](=O)[O-] ZINC000840191462 593378156 /nfs/dbraw/zinc/37/81/56/593378156.db2.gz FRAYISAAEJKWDN-UHFFFAOYSA-N 0 3 326.357 1.574 20 5 EDBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000813105353 593517919 /nfs/dbraw/zinc/51/79/19/593517919.db2.gz XUFGYANEODIQSK-DGCLKSJQSA-N 0 3 333.348 1.746 20 5 EDBDHN CC(COC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)[N+](=O)[O-] ZINC000813105298 593517924 /nfs/dbraw/zinc/51/79/24/593517924.db2.gz LNLUZBMBLHENPO-GFCCVEGCSA-N 0 3 333.344 1.612 20 5 EDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc2c(c1)OCCO2 ZINC000813103778 593517949 /nfs/dbraw/zinc/51/79/49/593517949.db2.gz SZQGUTOPNZRMAH-SECBINFHSA-N 0 3 348.315 1.169 20 5 EDBDHN CC(COC(=O)c1ccc(N2CCCS2(=O)=O)cc1)[N+](=O)[O-] ZINC000813110153 593518557 /nfs/dbraw/zinc/51/85/57/593518557.db2.gz TYDFBCUWBLXDKD-JTQLQIEISA-N 0 3 328.346 1.049 20 5 EDBDHN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813115366 593518773 /nfs/dbraw/zinc/51/87/73/593518773.db2.gz QCDVFZYMEKEJHS-WDEREUQCSA-N 0 3 344.389 1.585 20 5 EDBDHN CC(C)(C)[S@](=O)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819057364 593736160 /nfs/dbraw/zinc/73/61/60/593736160.db2.gz VSRXIBHVOFRAIZ-JCQPUDPBSA-N 0 3 344.433 1.471 20 5 EDBDHN CC(C)(C)[S@](=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819056163 593736198 /nfs/dbraw/zinc/73/61/98/593736198.db2.gz JDNYTURPIUDGRP-DAOPMYJZSA-N 0 3 344.433 1.471 20 5 EDBDHN O=C1NCCc2ccc(CNC[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000819228910 593745607 /nfs/dbraw/zinc/74/56/07/593745607.db2.gz LYZVZPMICROHEY-QGZVFWFLSA-N 0 3 341.367 1.704 20 5 EDBDHN C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820426804 593818245 /nfs/dbraw/zinc/81/82/45/593818245.db2.gz NVJFMRUUKAXPHL-JTQLQIEISA-N 0 3 328.336 1.322 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000823728342 593843765 /nfs/dbraw/zinc/84/37/65/593843765.db2.gz XLSAPNMYQCDDGM-NSHDSACASA-N 0 3 341.795 1.825 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000821231416 593993348 /nfs/dbraw/zinc/99/33/48/593993348.db2.gz CKKCMNOCQRZLRC-UHFFFAOYSA-N 0 3 335.408 1.577 20 5 EDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCCN1CCCC1 ZINC000822236936 594016738 /nfs/dbraw/zinc/01/67/38/594016738.db2.gz XOMLLDIZUPRNIW-UHFFFAOYSA-N 0 3 338.339 1.518 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000822998710 594134222 /nfs/dbraw/zinc/13/42/22/594134222.db2.gz UOWZMHSGEWJSKZ-GVDBMIGSSA-N 0 3 347.415 1.661 20 5 EDBDHN CS[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000828372710 594404085 /nfs/dbraw/zinc/40/40/85/594404085.db2.gz LBBHRDFKNHQCID-OLZOCXBDSA-N 0 3 329.466 1.860 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCN1C1CCCCCC1 ZINC000826673373 594551821 /nfs/dbraw/zinc/55/18/21/594551821.db2.gz JBPZXXAJZUSNBR-CQSZACIVSA-N 0 3 335.408 1.705 20 5 EDBDHN CCO[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CN(C)C ZINC000831745607 594698833 /nfs/dbraw/zinc/69/88/33/594698833.db2.gz UFSXXKYLDMGWFP-CYBMUJFWSA-N 0 3 343.811 1.874 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000832048651 594722106 /nfs/dbraw/zinc/72/21/06/594722106.db2.gz WPMXNGPMNKGARG-HIFRSBDPSA-N 0 3 336.392 1.799 20 5 EDBDHN CC([C@H](OC(=O)[C@H]1CCNC(=O)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881519 595086784 /nfs/dbraw/zinc/08/67/84/595086784.db2.gz LOYHCKXEPFARRD-HFAKWTLXSA-N 0 3 338.335 1.992 20 5 EDBDHN C[C@@]1(F)CNCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843388426 595097450 /nfs/dbraw/zinc/09/74/50/595097450.db2.gz YWRHVQMPGPTDES-OAHLLOKOSA-N 0 3 342.346 1.696 20 5 EDBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834382347 595107282 /nfs/dbraw/zinc/10/72/82/595107282.db2.gz LIWIVZOXGAJCNI-GFCCVEGCSA-N 0 3 335.320 1.192 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843428565 595108360 /nfs/dbraw/zinc/10/83/60/595108360.db2.gz KQNZEIHCICHIRZ-LLVKDONJSA-N 0 3 340.811 1.800 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000843484053 595126000 /nfs/dbraw/zinc/12/60/00/595126000.db2.gz HSNUDDVZRTZFLV-NSHDSACASA-N 0 3 344.274 1.538 20 5 EDBDHN Cc1ccccc1[C@@H](O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843072938 595281309 /nfs/dbraw/zinc/28/13/09/595281309.db2.gz FILDBTXZRWUTIG-QAPCUYQASA-N 0 3 346.383 1.966 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H](O)Cc2cccc(F)c2)c1 ZINC000843101609 595287724 /nfs/dbraw/zinc/28/77/24/595287724.db2.gz NHKYNAFDQXIJNC-SJORKVTESA-N 0 3 334.347 1.961 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(Cn3cnnc3)CC2)c1 ZINC000844412250 595340213 /nfs/dbraw/zinc/34/02/13/595340213.db2.gz OQKQYDLAWWHERI-INIZCTEOSA-N 0 3 331.376 1.632 20 5 EDBDHN COCCN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000844431748 595342673 /nfs/dbraw/zinc/34/26/73/595342673.db2.gz NKKKQZQVEJBGPN-INIZCTEOSA-N 0 3 337.420 1.671 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000856073182 595888135 /nfs/dbraw/zinc/88/81/35/595888135.db2.gz KSYSIBFHBBQBSW-WBMJQRKESA-N 0 3 346.387 1.688 20 5 EDBDHN O=[N+]([O-])c1ccc2nccc(NC[C@H]3CN4CCC[C@@H]4CO3)c2c1 ZINC000865484765 596588093 /nfs/dbraw/zinc/58/80/93/596588093.db2.gz ISILLXAVMVEBGI-KGLIPLIRSA-N 0 3 328.372 1.840 20 5 EDBDHN CN1CCC(N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000863499555 596600818 /nfs/dbraw/zinc/60/08/18/596600818.db2.gz CJTGXZLKZBDUDX-MRXNPFEDSA-N 0 3 332.360 1.456 20 5 EDBDHN COCCN(C)CCCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868356070 596798921 /nfs/dbraw/zinc/79/89/21/596798921.db2.gz VIWYOEGVBNANLO-UHFFFAOYSA-N 0 3 338.408 1.671 20 5 EDBDHN CC(C)[C@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1C ZINC000872738079 597053443 /nfs/dbraw/zinc/05/34/43/597053443.db2.gz DJQMKOOZGYGZQO-CQSZACIVSA-N 0 3 346.387 1.420 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879245262 597863786 /nfs/dbraw/zinc/86/37/86/597863786.db2.gz XCAWDLOLTLDQKC-SJLPKXTDSA-N 0 3 343.383 1.955 20 5 EDBDHN C[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000882145419 597880997 /nfs/dbraw/zinc/88/09/97/597880997.db2.gz OFOMMMJNMBAWSW-QWHCGFSZSA-N 0 3 337.399 1.591 20 5 EDBDHN C[C@@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000916842545 696797114 /nfs/dbraw/zinc/79/71/14/696797114.db2.gz NRIFCMFJWIPZDT-WQVCFCJDSA-N 0 3 348.403 1.818 20 5 EDBDHN C/C=C(/C)C(=O)N1CCC(C)(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000940041114 700140991 /nfs/dbraw/zinc/14/09/91/700140991.db2.gz WUCFACRHGLDLNW-XGICHPGQSA-N 0 3 335.408 1.765 20 5 EDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2nc(C3CCC3)no2)CC1 ZINC000996441307 702770605 /nfs/dbraw/zinc/77/06/05/702770605.db2.gz PQMCNSSPGFHDIW-CHWSQXEVSA-N 0 3 349.391 1.083 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC000996991802 703253500 /nfs/dbraw/zinc/25/35/00/703253500.db2.gz UIDOTIAQDLTCDK-UHFFFAOYSA-N 0 3 347.419 1.599 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)C2CC=CC2)CC1 ZINC000997637588 703939479 /nfs/dbraw/zinc/93/94/79/703939479.db2.gz KZUZZGBXUWKXBN-UHFFFAOYSA-N 0 3 347.419 1.623 20 5 EDBDHN C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000041651410 138103838 /nfs/dbraw/zinc/10/38/38/138103838.db2.gz OANOOIUNBGNDBF-OLZOCXBDSA-N 0 3 348.403 1.770 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(CC(N)=O)CC1 ZINC000077168582 138251734 /nfs/dbraw/zinc/25/17/34/138251734.db2.gz AEMCAKARJZQGGN-UHFFFAOYSA-N 0 3 348.403 1.819 20 5 EDBDHN Cc1nn(C)c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000124247600 138325192 /nfs/dbraw/zinc/32/51/92/138325192.db2.gz JGHUEEZYDDVSEN-CQSZACIVSA-N 0 3 345.403 1.978 20 5 EDBDHN COC[C@H](O)CNCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000564845413 306366827 /nfs/dbraw/zinc/36/68/27/306366827.db2.gz XTLPIGQPYHRVLA-SNVBAGLBSA-N 0 3 337.298 1.622 20 5 EDBDHN CN1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000564987816 306372232 /nfs/dbraw/zinc/37/22/32/306372232.db2.gz VMXKSMLSJNZERI-ZDUSSCGKSA-N 0 3 334.420 1.607 20 5 EDBDHN C[C@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN(Cc2ccccc2)C1 ZINC000565062832 306374190 /nfs/dbraw/zinc/37/41/90/306374190.db2.gz ONZKYXKZGISKEZ-KRWDZBQOSA-N 0 3 343.387 1.572 20 5 EDBDHN Cn1cc(CNC[C@@H]2CNCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415093161 304159210 /nfs/dbraw/zinc/15/92/10/304159210.db2.gz HOQWVAQYFRFTMU-HNNXBMFYSA-N 0 3 331.376 1.073 20 5 EDBDHN CN(CC1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000103452077 204080757 /nfs/dbraw/zinc/08/07/57/204080757.db2.gz VKEHMIWYYRWEKD-UHFFFAOYSA-N 0 3 336.348 1.917 20 5 EDBDHN CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000229628054 139023867 /nfs/dbraw/zinc/02/38/67/139023867.db2.gz NEDSTEXOLBXASR-UHFFFAOYSA-N 0 3 333.797 1.669 20 5 EDBDHN CC(C)(C)[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236680524 139028597 /nfs/dbraw/zinc/02/85/97/139028597.db2.gz PWYLMRZETGRAQE-CQSZACIVSA-N 0 3 348.403 1.253 20 5 EDBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000126378800 205053226 /nfs/dbraw/zinc/05/32/26/205053226.db2.gz ZWQNZFCOGQNGHR-UHFFFAOYSA-N 0 3 337.380 1.035 20 5 EDBDHN C[C@@H]1CN(C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000157808485 205257881 /nfs/dbraw/zinc/25/78/81/205257881.db2.gz CTEYSHXFQWPJOJ-ZNMIVQPWSA-N 0 3 337.424 1.365 20 5 EDBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000131468941 205291181 /nfs/dbraw/zinc/29/11/81/205291181.db2.gz WXVAEMZGXLNJOE-CYBMUJFWSA-N 0 3 343.387 1.947 20 5 EDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000157254603 206124425 /nfs/dbraw/zinc/12/44/25/206124425.db2.gz CEIKNSAYYRKZDW-CZUORRHYSA-N 0 3 333.388 1.916 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000248374179 139161142 /nfs/dbraw/zinc/16/11/42/139161142.db2.gz OJDGFSQQBSAEFW-KGLIPLIRSA-N 0 3 346.387 1.937 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCNCC2)cn1 ZINC000262169640 139257009 /nfs/dbraw/zinc/25/70/09/139257009.db2.gz HOYURVJDMKFKDU-UHFFFAOYSA-N 0 3 341.371 1.581 20 5 EDBDHN CN(Cc1ccc2c(c1)OCO2)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174664960 207043496 /nfs/dbraw/zinc/04/34/96/207043496.db2.gz DUHOPZJDFJLQBH-ZDUSSCGKSA-N 0 3 334.332 1.013 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)COCc1ccccc1 ZINC000174858811 207065114 /nfs/dbraw/zinc/06/51/14/207065114.db2.gz FLVFZQSNXSBBIJ-MRXNPFEDSA-N 0 3 334.376 1.301 20 5 EDBDHN C[NH+](C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000175080703 207091369 /nfs/dbraw/zinc/09/13/69/207091369.db2.gz ONLRRURAQNMLJM-RYUDHWBXSA-N 0 3 327.406 1.746 20 5 EDBDHN C[C@@H]1NCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262917079 139312578 /nfs/dbraw/zinc/31/25/78/139312578.db2.gz ZADFOOCZMMMCRG-RYUDHWBXSA-N 0 3 329.360 1.603 20 5 EDBDHN CCN1CCN(CCCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000490700707 255100580 /nfs/dbraw/zinc/10/05/80/255100580.db2.gz HTOLXJONYDJPNF-HJWRWDBZSA-N 0 3 346.431 1.752 20 5 EDBDHN NS(=O)(=O)c1cc(NCCN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000264051162 139377838 /nfs/dbraw/zinc/37/78/38/139377838.db2.gz YEXCHYPYXFGNII-UHFFFAOYSA-N 0 3 328.394 1.140 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000415845063 304280797 /nfs/dbraw/zinc/28/07/97/304280797.db2.gz RNLNOCWIQJKGAM-CYBMUJFWSA-N 0 3 348.403 1.784 20 5 EDBDHN O=C(CCN1CC[C@H](N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000270899120 140193761 /nfs/dbraw/zinc/19/37/61/140193761.db2.gz MHSNGOLUQGGNOG-ZDUSSCGKSA-N 0 3 346.387 1.620 20 5 EDBDHN Cc1ccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000271674332 140331685 /nfs/dbraw/zinc/33/16/85/140331685.db2.gz ADVOQNIYYOSJRG-RISCZKNCSA-N 0 3 349.347 1.720 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000123178144 296509033 /nfs/dbraw/zinc/50/90/33/296509033.db2.gz KBYJYJJIVSSNDL-SSDOTTSWSA-N 0 3 339.295 1.254 20 5 EDBDHN Cc1nn(CCC(=O)N2CCN(C3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000331392632 141016206 /nfs/dbraw/zinc/01/62/06/141016206.db2.gz JUKYCDXJGAKBJM-UHFFFAOYSA-N 0 3 349.435 1.885 20 5 EDBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331430304 141025532 /nfs/dbraw/zinc/02/55/32/141025532.db2.gz LYYJRWUIDFHLRQ-HZSPNIEDSA-N 0 3 347.419 1.875 20 5 EDBDHN CCN1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])c(OC)c3)[C@@H]2C1 ZINC000339393277 142035477 /nfs/dbraw/zinc/03/54/77/142035477.db2.gz NUPKRKJLAAPFPS-HZPDHXFCSA-N 0 3 335.404 1.898 20 5 EDBDHN O=C(NCC1CCN(CCO)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000340293975 142332065 /nfs/dbraw/zinc/33/20/65/142332065.db2.gz ZJTNQGJXDVQULC-UHFFFAOYSA-N 0 3 346.387 1.510 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCOC2)cc1 ZINC000342315087 142708658 /nfs/dbraw/zinc/70/86/58/142708658.db2.gz VXWDLEYHZNEWBP-LBPRGKRZSA-N 0 3 328.390 1.385 20 5 EDBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000345435976 143090966 /nfs/dbraw/zinc/09/09/66/143090966.db2.gz LUAILEYOSBNZRT-UHFFFAOYSA-N 0 3 349.366 1.671 20 5 EDBDHN COC(=O)[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346648703 143226230 /nfs/dbraw/zinc/22/62/30/143226230.db2.gz PMMABSCEJQEWQF-RWMBFGLXSA-N 0 3 338.360 1.218 20 5 EDBDHN Cc1cc(S(=O)(=O)NC[C@@H]2CCN(C)C2)c(C)cc1[N+](=O)[O-] ZINC000416495563 304324623 /nfs/dbraw/zinc/32/46/23/304324623.db2.gz MFFOKFSZHYDEPK-LBPRGKRZSA-N 0 3 327.406 1.442 20 5 EDBDHN CNc1c(C(=O)N2CC[C@H](N(C)CCO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000347228955 143297522 /nfs/dbraw/zinc/29/75/22/143297522.db2.gz ZRYHCNNGLRHVKG-AAEUAGOBSA-N 0 3 336.392 1.164 20 5 EDBDHN CN1CCC[C@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000416559174 304331540 /nfs/dbraw/zinc/33/15/40/304331540.db2.gz JOPRUJKGPUXPOR-GFCCVEGCSA-N 0 3 327.406 1.605 20 5 EDBDHN CCN1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C1 ZINC000352667544 149108891 /nfs/dbraw/zinc/10/88/91/149108891.db2.gz LEHCQYOGKSNLNR-CYBMUJFWSA-N 0 3 348.403 1.919 20 5 EDBDHN Cn1c(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)ccc1[N+](=O)[O-] ZINC000357939858 151203495 /nfs/dbraw/zinc/20/34/95/151203495.db2.gz VHIWUIWEDOCVGL-UWVGGRQHSA-N 0 3 330.348 1.839 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1-c1nc(CC2=N[C@@H]3CCCC[C@@H]3N2)no1 ZINC000357953535 151209330 /nfs/dbraw/zinc/20/93/30/151209330.db2.gz GGFRUKOAPIZADP-DTORHVGOSA-N 0 3 331.336 1.234 20 5 EDBDHN CNc1c(C(=O)NCCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000361121856 152311888 /nfs/dbraw/zinc/31/18/88/152311888.db2.gz IZFTYTBBVHGFKY-UHFFFAOYSA-N 0 3 335.408 1.004 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(n3cccn3)CC2)c1 ZINC000361942606 152560739 /nfs/dbraw/zinc/56/07/39/152560739.db2.gz ICEZQQHQXQERTH-MRXNPFEDSA-N 0 3 346.387 1.868 20 5 EDBDHN CN1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363655420 153024416 /nfs/dbraw/zinc/02/44/16/153024416.db2.gz DNONQAYIXCJURY-INIZCTEOSA-N 0 3 332.404 1.447 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000367555828 154176021 /nfs/dbraw/zinc/17/60/21/154176021.db2.gz DFVWIFKORXNSMV-NHAGDIPZSA-N 0 3 341.371 1.189 20 5 EDBDHN O=C([C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000367858229 154301802 /nfs/dbraw/zinc/30/18/02/154301802.db2.gz QRICAPUQAXKXEI-AWEZNQCLSA-N 0 3 333.388 1.918 20 5 EDBDHN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000262472801 286828457 /nfs/dbraw/zinc/82/84/57/286828457.db2.gz OPHNIOGCKQTXQB-LURJTMIESA-N 0 3 327.284 1.239 20 5 EDBDHN CC(=O)NC[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000067419672 287245502 /nfs/dbraw/zinc/24/55/02/287245502.db2.gz XFVJGJUIMORNDP-AWEZNQCLSA-N 0 3 348.403 1.772 20 5 EDBDHN C[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000074137884 287268121 /nfs/dbraw/zinc/26/81/21/287268121.db2.gz BKUDZWURZPSNML-LFAOLKIESA-N 0 3 346.431 1.608 20 5 EDBDHN COc1ccc(NC(=O)CN(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000089897932 287324465 /nfs/dbraw/zinc/32/44/65/287324465.db2.gz PSHUICCXMTVELV-UHFFFAOYSA-N 0 3 336.392 1.570 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)CCN2CCCC2)cccc1[N+](=O)[O-] ZINC000124370175 287397644 /nfs/dbraw/zinc/39/76/44/287397644.db2.gz XLNLCUYDNJZLTM-UHFFFAOYSA-N 0 3 334.376 1.396 20 5 EDBDHN COc1ccc(-c2ccc(CNCC3(CO)COC3)o2)c([N+](=O)[O-])c1 ZINC000123030726 222203956 /nfs/dbraw/zinc/20/39/56/222203956.db2.gz INKYCALSCVISTG-UHFFFAOYSA-N 0 3 348.355 1.962 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273525145 268058402 /nfs/dbraw/zinc/05/84/02/268058402.db2.gz XMVIMMAWRLZQDD-CABZTGNLSA-N 0 3 340.405 1.137 20 5 EDBDHN CC(C)OC1CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275150236 268287682 /nfs/dbraw/zinc/28/76/82/268287682.db2.gz RWXOQWQPRJLJDD-UHFFFAOYSA-N 0 3 342.417 1.914 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000275540967 268357516 /nfs/dbraw/zinc/35/75/16/268357516.db2.gz ZJWXDZKVXTXBIJ-SNVBAGLBSA-N 0 3 339.323 1.557 20 5 EDBDHN CN(C)CCc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000275839315 268376677 /nfs/dbraw/zinc/37/66/77/268376677.db2.gz MGVZXNWMSTXNGG-UHFFFAOYSA-N 0 3 344.371 1.499 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCSC2)cc1 ZINC000273442522 273040203 /nfs/dbraw/zinc/04/02/03/273040203.db2.gz NBPWLHNLNNMWFN-NSHDSACASA-N 0 3 330.431 1.854 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000273535450 273042262 /nfs/dbraw/zinc/04/22/62/273042262.db2.gz DBZGIQGSYSKWDW-SMDDNHRTSA-N 0 3 327.406 1.307 20 5 EDBDHN CNC(=O)c1ccc(N[C@@H](C)CCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000274419084 273089037 /nfs/dbraw/zinc/08/90/37/273089037.db2.gz BRSGVELAKSHCNV-ZDUSSCGKSA-N 0 3 349.435 1.392 20 5 EDBDHN COc1cc(CNCC2([S@@](C)=O)CCC2)c([N+](=O)[O-])cc1O ZINC000280607999 273377148 /nfs/dbraw/zinc/37/71/48/273377148.db2.gz JXEIZUDCGPVFTM-JOCHJYFZSA-N 0 3 328.390 1.700 20 5 EDBDHN COCCN1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347436687 274026981 /nfs/dbraw/zinc/02/69/81/274026981.db2.gz UJXLIHLQVBRYJJ-UHFFFAOYSA-N 0 3 331.376 1.697 20 5 EDBDHN CNC(=O)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cnn(C)c1 ZINC000284492345 274221781 /nfs/dbraw/zinc/22/17/81/274221781.db2.gz CSSIUUKMMNLHOD-CABCVRRESA-N 0 3 343.387 1.290 20 5 EDBDHN CN1CCO[C@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284767339 274323943 /nfs/dbraw/zinc/32/39/43/274323943.db2.gz MLLICJZIDRCBBX-CVEARBPZSA-N 0 3 348.403 1.328 20 5 EDBDHN COc1ccc(CN[C@H]2CCO[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000284849173 274358599 /nfs/dbraw/zinc/35/85/99/274358599.db2.gz XGGUKGAUASDYQR-LRDDRELGSA-N 0 3 332.360 1.957 20 5 EDBDHN COC[C@@H](C)OC[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292208697 289289354 /nfs/dbraw/zinc/28/93/54/289289354.db2.gz TUDMQXKRVILKEH-CHWSQXEVSA-N 0 3 326.393 1.832 20 5 EDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375089103 301095370 /nfs/dbraw/zinc/09/53/70/301095370.db2.gz HQVCGZRBORYBKI-GFCCVEGCSA-N 0 3 334.376 1.704 20 5 EDBDHN CCOc1cc(N2CCC[C@H](n3cc(CN)nn3)C2)ccc1[N+](=O)[O-] ZINC000420280912 304742999 /nfs/dbraw/zinc/74/29/99/304742999.db2.gz LSKFVUWIYRYMOV-AWEZNQCLSA-N 0 3 346.391 1.885 20 5 EDBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN(C2CC2)C1 ZINC000295791533 303267577 /nfs/dbraw/zinc/26/75/77/303267577.db2.gz YZPFKNUSIFZPJO-JTQLQIEISA-N 0 3 336.367 1.872 20 5 EDBDHN COC(=O)Cc1ccc(N2CCO[C@@H](CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000296913051 303346380 /nfs/dbraw/zinc/34/63/80/303346380.db2.gz AFMJCTIYWPJGFK-ZDUSSCGKSA-N 0 3 337.376 1.077 20 5 EDBDHN CNC(=O)c1ccc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301724678 303691718 /nfs/dbraw/zinc/69/17/18/303691718.db2.gz OZISIGWSPZQWFB-CQSZACIVSA-N 0 3 348.403 1.620 20 5 EDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CNCCO1 ZINC000423991136 304923253 /nfs/dbraw/zinc/92/32/53/304923253.db2.gz LFFDVDKUBPCHSB-ZYHUDNBSSA-N 0 3 325.390 1.180 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429235773 305026161 /nfs/dbraw/zinc/02/61/61/305026161.db2.gz RSOVOYIKSVPZQV-ZIAGYGMSSA-N 0 3 344.367 1.797 20 5 EDBDHN Cc1cc([N+](=O)[O-])cnc1NCC(=O)NCCN1CCCCCC1 ZINC000431507780 305078446 /nfs/dbraw/zinc/07/84/46/305078446.db2.gz VNSGKRZEERHQRE-UHFFFAOYSA-N 0 3 335.408 1.702 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@]1(O)CCN(C)C1 ZINC000447817420 305286274 /nfs/dbraw/zinc/28/62/74/305286274.db2.gz OGRXKYGUEQXIHJ-CQSZACIVSA-N 0 3 343.767 1.513 20 5 EDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448884208 305302899 /nfs/dbraw/zinc/30/28/99/305302899.db2.gz TURDUCUGKPIXHE-AWEZNQCLSA-N 0 3 343.387 1.947 20 5 EDBDHN O=C1CC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000449700565 305317558 /nfs/dbraw/zinc/31/75/58/305317558.db2.gz PVTRKDLGLJVYMN-OAHLLOKOSA-N 0 3 332.404 1.381 20 5 EDBDHN CN(C)CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])cn2)ccn1 ZINC000534233863 306004463 /nfs/dbraw/zinc/00/44/63/306004463.db2.gz FSTADJJTRNUDHH-UHFFFAOYSA-N 0 3 345.359 1.255 20 5 EDBDHN COc1cccc(CN(CCN(C)C)C(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000549759058 306148487 /nfs/dbraw/zinc/14/84/87/306148487.db2.gz QGIWWZNAXSLYRO-UHFFFAOYSA-N 0 3 347.375 1.531 20 5 EDBDHN COc1cc(CNC[C@@H]2CCOC[C@@H]2OC)c([N+](=O)[O-])cc1OC ZINC000449455183 447374475 /nfs/dbraw/zinc/37/44/75/447374475.db2.gz LCBVFLFPYJUZCX-ZBEGNZNMSA-N 0 3 340.376 1.753 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000046036530 441072373 /nfs/dbraw/zinc/07/23/73/441072373.db2.gz OOXKSCDKSYGYCI-TZMCWYRMSA-N 0 3 339.417 1.808 20 5 EDBDHN C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C1CC1 ZINC000057705959 441128109 /nfs/dbraw/zinc/12/81/09/441128109.db2.gz LBMXZFJZINAIRX-GFCCVEGCSA-N 0 3 343.387 1.993 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000012141031 441127015 /nfs/dbraw/zinc/12/70/15/441127015.db2.gz IULHUFWSYOEZFJ-UHFFFAOYSA-N 0 3 331.394 1.224 20 5 EDBDHN CCCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000014252416 441181096 /nfs/dbraw/zinc/18/10/96/441181096.db2.gz DZFHLXDRUMOEEE-UHFFFAOYSA-N 0 3 327.406 1.748 20 5 EDBDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000104747665 441203555 /nfs/dbraw/zinc/20/35/55/441203555.db2.gz WTAFVKLJUGXSGC-JTQLQIEISA-N 0 3 347.824 1.820 20 5 EDBDHN CCN(C)CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000112926166 441569578 /nfs/dbraw/zinc/56/95/78/441569578.db2.gz LHAWJZMQCWUHSS-UHFFFAOYSA-N 0 3 332.364 1.165 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000041444063 441655585 /nfs/dbraw/zinc/65/55/85/441655585.db2.gz XCLHGTBEPWACSN-UHFFFAOYSA-N 0 3 334.420 1.661 20 5 EDBDHN CCc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000174230621 441905332 /nfs/dbraw/zinc/90/53/32/441905332.db2.gz FZJFMJVFUAZINZ-AWEZNQCLSA-N 0 3 348.447 1.771 20 5 EDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CC2CC2)C1 ZINC000119759336 441949750 /nfs/dbraw/zinc/94/97/50/441949750.db2.gz WALMWBFVNIFRGA-HNNXBMFYSA-N 0 3 332.404 1.921 20 5 EDBDHN COCCN(C)CCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000171070441 442306291 /nfs/dbraw/zinc/30/62/91/442306291.db2.gz PEBHFHLEERSNFN-FNORWQNLSA-N 0 3 337.376 1.771 20 5 EDBDHN CCN1CCN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178199435 442414889 /nfs/dbraw/zinc/41/48/89/442414889.db2.gz LCEQGMQADWCZCT-UHFFFAOYSA-N 0 3 349.435 1.325 20 5 EDBDHN COC[C@H](Cc1ccccc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000191510785 442456813 /nfs/dbraw/zinc/45/68/13/442456813.db2.gz BCCUBAKBOIHZIB-RDJZCZTQSA-N 0 3 348.403 1.342 20 5 EDBDHN Cc1cc(C)c2c(c1)CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000186710728 442597595 /nfs/dbraw/zinc/59/75/95/442597595.db2.gz KHHPJRNCLSJKPF-MRXNPFEDSA-N 0 3 330.388 1.827 20 5 EDBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180544921 442619969 /nfs/dbraw/zinc/61/99/69/442619969.db2.gz IADSKCOMPYOKRI-LLVKDONJSA-N 0 3 335.408 1.812 20 5 EDBDHN CS(=O)(=O)CCOCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193008031 442705101 /nfs/dbraw/zinc/70/51/01/442705101.db2.gz KXJXXNSYJDMUJW-OAHLLOKOSA-N 0 3 342.417 1.623 20 5 EDBDHN CCN1CCC[C@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000193687089 442767322 /nfs/dbraw/zinc/76/73/22/442767322.db2.gz SNLLKSVHFVTTJH-OCCSQVGLSA-N 0 3 348.403 1.314 20 5 EDBDHN C[C@@H](C(=O)NC[C@](C)(O)CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000183476262 442933879 /nfs/dbraw/zinc/93/38/79/442933879.db2.gz ZXEGAGQEKUVXND-BMIGLBTASA-N 0 3 327.356 1.266 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000296330482 318686767 /nfs/dbraw/zinc/68/67/67/318686767.db2.gz QRFACZAQXLERID-LYRGGWFBSA-N 0 3 349.387 1.945 20 5 EDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000184722946 443066472 /nfs/dbraw/zinc/06/64/72/443066472.db2.gz RADDWQNASUOUJI-UHFFFAOYSA-N 0 3 333.392 1.663 20 5 EDBDHN CCN1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c(OC)c3)C2)CC1 ZINC000266380658 443112187 /nfs/dbraw/zinc/11/21/87/443112187.db2.gz MXXFRQDQEAAWON-HNNXBMFYSA-N 0 3 334.420 1.820 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000261798557 443170261 /nfs/dbraw/zinc/17/02/61/443170261.db2.gz UQYCKEYXDFAATC-OLZOCXBDSA-N 0 3 341.433 1.878 20 5 EDBDHN COCCN(C)CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185169683 443152637 /nfs/dbraw/zinc/15/26/37/443152637.db2.gz HSNYCEPXQMYQJC-LLVKDONJSA-N 0 3 327.356 1.532 20 5 EDBDHN CCc1[n-]nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000351239970 319098027 /nfs/dbraw/zinc/09/80/27/319098027.db2.gz IBLOAIDCUFQSJA-ZUZCIYMTSA-N 0 3 348.363 1.856 20 5 EDBDHN CCc1[n-]nc(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000351239970 319098028 /nfs/dbraw/zinc/09/80/28/319098028.db2.gz IBLOAIDCUFQSJA-ZUZCIYMTSA-N 0 3 348.363 1.856 20 5 EDBDHN [NH3+]C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382527349 319123943 /nfs/dbraw/zinc/12/39/43/319123943.db2.gz VIXGFBSECDVXIP-PSASIEDQSA-N 0 3 333.797 1.654 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269501793 443328380 /nfs/dbraw/zinc/32/83/80/443328380.db2.gz BFCBNUNLKZHAAZ-CQSZACIVSA-N 0 3 347.371 1.918 20 5 EDBDHN CNC(=O)c1ccc(NC[C@@]2(N(C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000267127092 443350953 /nfs/dbraw/zinc/35/09/53/443350953.db2.gz VBDVIUUEASSNHU-HNNXBMFYSA-N 0 3 338.433 1.804 20 5 EDBDHN CC(C)OCCOC[C@@H](O)CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000265276490 443591919 /nfs/dbraw/zinc/59/19/19/443591919.db2.gz VZZQIHZBFKHJEG-KRWDZBQOSA-N 0 3 340.420 1.872 20 5 EDBDHN CC(C)CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CCN(C)CC1 ZINC000265140424 443547109 /nfs/dbraw/zinc/54/71/09/443547109.db2.gz VRCSSYPNIBAUEY-UHFFFAOYSA-N 0 3 337.424 1.760 20 5 EDBDHN CCOC(=O)c1ccnc(N2CC[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000272196674 443554449 /nfs/dbraw/zinc/55/44/49/443554449.db2.gz NTGOUVKFKFGYPS-WCQYABFASA-N 0 3 334.376 1.697 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C(C)(C)C1 ZINC000279778515 443626992 /nfs/dbraw/zinc/62/69/92/443626992.db2.gz NMECKZCVGGQBCS-AWEZNQCLSA-N 0 3 337.376 1.635 20 5 EDBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286065129 443638492 /nfs/dbraw/zinc/63/84/92/443638492.db2.gz RRGMMIVWLMQZBZ-UHFFFAOYSA-N 0 3 337.380 1.083 20 5 EDBDHN CCN1CCN(c2ccc([N+](=O)[O-])c(N3CCN(CC)CC3)n2)CC1 ZINC000276581747 443754202 /nfs/dbraw/zinc/75/42/02/443754202.db2.gz OSCAZGUIECKLHB-UHFFFAOYSA-N 0 3 348.451 1.274 20 5 EDBDHN O=C(NCCNc1ccncc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533811853 320695523 /nfs/dbraw/zinc/69/55/23/320695523.db2.gz UYPJYTBOFRBETQ-UHFFFAOYSA-N 0 3 344.327 1.025 20 5 EDBDHN Cc1cc(OCC(=O)N2CCO[C@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000281275765 443866577 /nfs/dbraw/zinc/86/65/77/443866577.db2.gz GIJLYYKEMOIHLK-CQSZACIVSA-N 0 3 337.376 1.071 20 5 EDBDHN CN1CC[C@@]2(CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000293642737 444078084 /nfs/dbraw/zinc/07/80/84/444078084.db2.gz GGBSFKFGEGEOTO-MRXNPFEDSA-N 0 3 329.360 1.639 20 5 EDBDHN C[C@H](CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)S(C)(=O)=O ZINC000564813404 321148452 /nfs/dbraw/zinc/14/84/52/321148452.db2.gz MRALHADLXASRFO-GRYCIOLGSA-N 0 3 330.410 1.298 20 5 EDBDHN COCC[C@@]1(NCCOc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000569067988 321316828 /nfs/dbraw/zinc/31/68/28/321316828.db2.gz SATVWVJRYDBMRD-MRXNPFEDSA-N 0 3 340.376 1.767 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000571384858 321385381 /nfs/dbraw/zinc/38/53/81/321385381.db2.gz SFVFGEBWELFQRG-CQSZACIVSA-N 0 3 348.403 1.784 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CN(C)C(C)C ZINC000289425444 444139415 /nfs/dbraw/zinc/13/94/15/444139415.db2.gz CITFZJDKHLBMHY-LLVKDONJSA-N 0 3 329.422 1.910 20 5 EDBDHN CN1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000301056223 444140823 /nfs/dbraw/zinc/14/08/23/444140823.db2.gz GCRFOUVJLNDBBJ-UHFFFAOYSA-N 0 3 348.403 1.573 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCCN(CCCO)C2)s1 ZINC000294857435 444151260 /nfs/dbraw/zinc/15/12/60/444151260.db2.gz BUJVAADXPBDZFP-JTQLQIEISA-N 0 3 337.405 1.858 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302160684 444206968 /nfs/dbraw/zinc/20/69/68/444206968.db2.gz GXUKZQVALDRGIV-WCQYABFASA-N 0 3 328.376 1.899 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CO)C2CCCC2)cc1 ZINC000289571263 444174056 /nfs/dbraw/zinc/17/40/56/444174056.db2.gz POIKJRWAGREDGI-HNNXBMFYSA-N 0 3 342.417 1.509 20 5 EDBDHN C[C@@H](O)CN(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289939426 444221921 /nfs/dbraw/zinc/22/19/21/444221921.db2.gz VIAVQOSPVDPLGK-GFCCVEGCSA-N 0 3 335.360 1.467 20 5 EDBDHN COCCCN1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301853571 444193679 /nfs/dbraw/zinc/19/36/79/444193679.db2.gz XYUWTBLECPNQCG-UHFFFAOYSA-N 0 3 334.380 1.550 20 5 EDBDHN Cc1cnn([C@@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000289970742 444225826 /nfs/dbraw/zinc/22/58/26/444225826.db2.gz RCISQWAEIGZHAE-CVEARBPZSA-N 0 3 346.387 1.786 20 5 EDBDHN CC(C)[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N(C)C ZINC000297085516 444272383 /nfs/dbraw/zinc/27/23/83/444272383.db2.gz XWROGQMHAIQAEF-CQSZACIVSA-N 0 3 335.408 1.225 20 5 EDBDHN Cc1cc(C(=O)NC[C@H](O)CN2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000304236817 444243868 /nfs/dbraw/zinc/24/38/68/444243868.db2.gz QGAWSAMQDBUSPW-INIZCTEOSA-N 0 3 335.404 1.726 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000581459569 322179108 /nfs/dbraw/zinc/17/91/08/322179108.db2.gz YYJTUDXVFXDGNK-GFCCVEGCSA-N 0 3 348.403 1.554 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCN3C[C@H]4CC[C@@H](C3)O4)C2)nc1 ZINC000342476922 444707600 /nfs/dbraw/zinc/70/76/00/444707600.db2.gz DQROEJPEEMBEKE-CWRNSKLLSA-N 0 3 347.419 1.339 20 5 EDBDHN O=C(NCCNc1ccncc1)NCCc1ccccc1[N+](=O)[O-] ZINC000341238841 444744179 /nfs/dbraw/zinc/74/41/79/444744179.db2.gz JRSXKZQZGNDXBY-UHFFFAOYSA-N 0 3 329.360 1.366 20 5 EDBDHN CC1CCN(C[C@@H](O)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000341583065 444907119 /nfs/dbraw/zinc/90/71/19/444907119.db2.gz DFINPVAUNZLXPI-HNNXBMFYSA-N 0 3 339.367 1.557 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000345874590 445201211 /nfs/dbraw/zinc/20/12/11/445201211.db2.gz LVASULJVLATMMJ-GDLCADMTSA-N 0 3 334.376 1.426 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCCC(C)(C)C1 ZINC000347483134 445239470 /nfs/dbraw/zinc/23/94/70/445239470.db2.gz LRZSPZMAVIMYTG-UHFFFAOYSA-N 0 3 337.424 1.728 20 5 EDBDHN CN(C)[C@@]1(CNc2ncnc3cccc([N+](=O)[O-])c32)CCSC1 ZINC000347466640 445239044 /nfs/dbraw/zinc/23/90/44/445239044.db2.gz SUGLFTKGBLOVCZ-OAHLLOKOSA-N 0 3 333.417 2.387 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000360007904 445525412 /nfs/dbraw/zinc/52/54/12/445525412.db2.gz SKPKHOHKDPSDDV-QWHCGFSZSA-N 0 3 339.417 1.570 20 5 EDBDHN COc1cc(C(=O)NCCOCCN(C)C)cc([N+](=O)[O-])c1C ZINC000359941238 445497232 /nfs/dbraw/zinc/49/72/32/445497232.db2.gz JUPQGGWDLMXOFM-UHFFFAOYSA-N 0 3 325.365 1.220 20 5 EDBDHN CN1CC=C(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000362986953 445639403 /nfs/dbraw/zinc/63/94/03/445639403.db2.gz PCNMJFBANXUYNX-UHFFFAOYSA-N 0 3 325.315 1.794 20 5 EDBDHN O=C1[C@H](N[C@H]2CCc3nccn3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000363069738 445666706 /nfs/dbraw/zinc/66/67/06/445666706.db2.gz YOFJFJNXNJWNCV-SWLSCSKDSA-N 0 3 341.371 1.501 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000353733616 445730224 /nfs/dbraw/zinc/73/02/24/445730224.db2.gz ANDUNLKUHITKQX-RISCZKNCSA-N 0 3 338.360 1.804 20 5 EDBDHN COC(=O)COc1ccc(CNCCc2ccncc2)cc1[N+](=O)[O-] ZINC000353758595 445741279 /nfs/dbraw/zinc/74/12/79/445741279.db2.gz MPPAHTUVWLZZPG-UHFFFAOYSA-N 0 3 345.355 1.874 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@H](N3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000365134804 446047176 /nfs/dbraw/zinc/04/71/76/446047176.db2.gz QSQPGJVZBXYKHX-AWEZNQCLSA-N 0 3 335.408 1.495 20 5 EDBDHN CN(C)CCOCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000359229118 446059132 /nfs/dbraw/zinc/05/91/32/446059132.db2.gz LECNLAUCFIKZLX-UHFFFAOYSA-N 0 3 337.423 1.050 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000366218399 446088271 /nfs/dbraw/zinc/08/82/71/446088271.db2.gz LTOMBJFETGUOTD-OAHLLOKOSA-N 0 3 333.436 1.903 20 5 EDBDHN CCN1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000369582770 446133830 /nfs/dbraw/zinc/13/38/30/446133830.db2.gz FBBAPIFMOJCFMP-INIZCTEOSA-N 0 3 332.404 1.728 20 5 EDBDHN N[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000423228609 446459428 /nfs/dbraw/zinc/45/94/28/446459428.db2.gz DIFSARDDUFCYQD-OAHLLOKOSA-N 0 3 346.387 1.007 20 5 EDBDHN NCc1cn([C@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420385522 446561284 /nfs/dbraw/zinc/56/12/84/446561284.db2.gz SYSFLFMLASXWAD-INIZCTEOSA-N 0 3 330.392 1.525 20 5 EDBDHN NCc1cn([C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000420390781 446566086 /nfs/dbraw/zinc/56/60/86/446566086.db2.gz ZWCWUFLKOHROME-CQSZACIVSA-N 0 3 346.391 1.361 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F ZINC000420462050 446640829 /nfs/dbraw/zinc/64/08/29/446640829.db2.gz MLPLUESHFLSUFE-JTQLQIEISA-N 0 3 337.348 1.472 20 5 EDBDHN CCC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420976043 446947947 /nfs/dbraw/zinc/94/79/47/446947947.db2.gz SBKDIOXDAJHLHR-GFCCVEGCSA-N 0 3 329.422 1.994 20 5 EDBDHN CNc1nc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454983337 447019472 /nfs/dbraw/zinc/01/94/72/447019472.db2.gz AVAVICSPVWMTEN-NEPJUHHUSA-N 0 3 335.408 1.882 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000375695160 446983438 /nfs/dbraw/zinc/98/34/38/446983438.db2.gz ZVYFUSRGAXZMRC-AWEZNQCLSA-N 0 3 343.387 1.580 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000377197135 446985767 /nfs/dbraw/zinc/98/57/67/446985767.db2.gz PGZVXZYYMBHOJW-OAGGEKHMSA-N 0 3 336.388 1.965 20 5 EDBDHN NC[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000420236972 447682232 /nfs/dbraw/zinc/68/22/32/447682232.db2.gz JGOHZWYSWYJRSB-HNNXBMFYSA-N 0 3 341.367 1.990 20 5 EDBDHN C[C@@H](C(=O)NC[C@H](C)CN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000575975230 447940515 /nfs/dbraw/zinc/94/05/15/447940515.db2.gz FCLAXQWNZKBZAA-LSDHHAIUSA-N 0 3 348.447 1.698 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CN1C1CC1 ZINC000530767564 447953247 /nfs/dbraw/zinc/95/32/47/447953247.db2.gz QGENBSLUEMYRHA-MNOVXSKESA-N 0 3 347.371 1.721 20 5 EDBDHN COc1ccc(CC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000525540228 448003693 /nfs/dbraw/zinc/00/36/93/448003693.db2.gz NCJWOUWIXGMGCI-GXTWGEPZSA-N 0 3 335.404 1.945 20 5 EDBDHN CC(C)(C)Oc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000571634124 448183067 /nfs/dbraw/zinc/18/30/67/448183067.db2.gz IRJAVOZZWUZVDB-AWEZNQCLSA-N 0 3 349.391 1.514 20 5 EDBDHN CNc1nccc(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000557564404 448186819 /nfs/dbraw/zinc/18/68/19/448186819.db2.gz ITKQRRYAOQHPLA-GFCCVEGCSA-N 0 3 349.435 2.272 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)N(C)C1 ZINC000492779268 448289960 /nfs/dbraw/zinc/28/99/60/448289960.db2.gz UXMIMCNKLBDVES-HABDOHHLSA-N 0 3 333.388 1.786 20 5 EDBDHN COc1ccc(CC(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000577843035 448399421 /nfs/dbraw/zinc/39/94/21/448399421.db2.gz WHXJPSZVMHKHCR-DZGCQCFKSA-N 0 3 333.388 1.699 20 5 EDBDHN NCc1cn([C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000577750423 448378801 /nfs/dbraw/zinc/37/88/01/448378801.db2.gz DBOYSCUGYLBXJQ-LBPRGKRZSA-N 0 3 330.348 1.122 20 5 EDBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)Cc1ccccc1 ZINC000533809693 448423333 /nfs/dbraw/zinc/42/33/33/448423333.db2.gz LLGKGSWBRARFFU-CQSZACIVSA-N 0 3 330.388 1.836 20 5 EDBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000572735536 448453619 /nfs/dbraw/zinc/45/36/19/448453619.db2.gz YHFGUVRNBQLPNH-GFCCVEGCSA-N 0 3 343.387 1.822 20 5 EDBDHN CN(C[C@@H]1CCCN1C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572748136 448455730 /nfs/dbraw/zinc/45/57/30/448455730.db2.gz AVNZPGYSLDWREG-AWEZNQCLSA-N 0 3 336.392 1.709 20 5 EDBDHN CCN1CC[C@@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000573385255 448614428 /nfs/dbraw/zinc/61/44/28/448614428.db2.gz SQGYLKADNIRZGS-DGCLKSJQSA-N 0 3 335.408 1.834 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)NCCN2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000541107620 448667256 /nfs/dbraw/zinc/66/72/56/448667256.db2.gz ZWXQGGIURFSVLQ-GFCCVEGCSA-N 0 3 348.403 1.091 20 5 EDBDHN COc1cc(C(=O)NCCN2CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000573912228 448744592 /nfs/dbraw/zinc/74/45/92/448744592.db2.gz XLSZCLMHZVCPMW-SNVBAGLBSA-N 0 3 325.340 1.814 20 5 EDBDHN CCCOc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000579702358 448856086 /nfs/dbraw/zinc/85/60/86/448856086.db2.gz TUHCEHQRWINASU-CQSZACIVSA-N 0 3 335.364 1.126 20 5 EDBDHN Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000568483906 448876943 /nfs/dbraw/zinc/87/69/43/448876943.db2.gz WWGOTQYCVJIFMC-GFCCVEGCSA-N 0 3 334.376 1.300 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588020932 448858791 /nfs/dbraw/zinc/85/87/91/448858791.db2.gz ZYZGITIUJPTSPF-GFCCVEGCSA-N 0 3 337.424 1.107 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCOc3c(F)cccc32)c1 ZINC000569111988 448964069 /nfs/dbraw/zinc/96/40/69/448964069.db2.gz HQIHEZLMGWEGRE-RISCZKNCSA-N 0 3 336.323 1.405 20 5 EDBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860048 448941833 /nfs/dbraw/zinc/94/18/33/448941833.db2.gz BPDZMFIGDIABHJ-STQMWFEESA-N 0 3 344.371 1.357 20 5 EDBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1N1CCCC1 ZINC000548448653 449047219 /nfs/dbraw/zinc/04/72/19/449047219.db2.gz WVROYBVBDSHFEP-VXGBXAGGSA-N 0 3 325.438 1.653 20 5 EDBDHN CN1C[C@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000590012026 449096862 /nfs/dbraw/zinc/09/68/62/449096862.db2.gz OATXZNFWFANRCX-OCCSQVGLSA-N 0 3 329.360 1.781 20 5 EDBDHN CN1C[C@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590012332 449097017 /nfs/dbraw/zinc/09/70/17/449097017.db2.gz RDVYURBWYKIDIO-QMTHXVAHSA-N 0 3 338.795 1.823 20 5 EDBDHN C[NH+](C)C1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593610017 449106661 /nfs/dbraw/zinc/10/66/61/449106661.db2.gz UFNCTXIVJKHGLK-UHFFFAOYSA-N 0 3 328.394 1.141 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(=O)N(C)CC1 ZINC000595772365 449157179 /nfs/dbraw/zinc/15/71/79/449157179.db2.gz KNAFZKVZZDPRGM-UHFFFAOYSA-N 0 3 334.376 1.396 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCCN(CCCO)C1 ZINC000593732670 449167990 /nfs/dbraw/zinc/16/79/90/449167990.db2.gz QQXOYCJBUYOORZ-AWEZNQCLSA-N 0 3 339.367 1.239 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1COCCO1 ZINC000595738085 449139962 /nfs/dbraw/zinc/13/99/62/449139962.db2.gz VZGCHRAWIOMRAI-AWEZNQCLSA-N 0 3 337.376 1.579 20 5 EDBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000597925451 449144942 /nfs/dbraw/zinc/14/49/42/449144942.db2.gz PSVGBQHWHAWINH-JTQLQIEISA-N 0 3 335.360 1.926 20 5 EDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000590399210 449147585 /nfs/dbraw/zinc/14/75/85/449147585.db2.gz JBWJYVRTEVVKDJ-IAGOWNOFSA-N 0 3 347.415 1.849 20 5 EDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000590403235 449150021 /nfs/dbraw/zinc/15/00/21/449150021.db2.gz ZVLJTHDRKATFHR-HOTGVXAUSA-N 0 3 349.387 1.295 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590602843 449216431 /nfs/dbraw/zinc/21/64/31/449216431.db2.gz YYGHKESAMOYROR-HIFRSBDPSA-N 0 3 331.376 1.427 20 5 EDBDHN COc1ccc(CN[C@H]2CCCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000602007140 449272472 /nfs/dbraw/zinc/27/24/72/449272472.db2.gz NCEOOFUQGCDGRQ-LBPRGKRZSA-N 0 3 328.390 1.660 20 5 EDBDHN CN(CCN1CCCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593882769 449261443 /nfs/dbraw/zinc/26/14/43/449261443.db2.gz INGDRYKKINHGMI-UHFFFAOYSA-N 0 3 335.360 1.881 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000600271945 449284157 /nfs/dbraw/zinc/28/41/57/449284157.db2.gz ZTIAXSLBGFWTJO-GFCCVEGCSA-N 0 3 344.371 1.732 20 5 EDBDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611554487 449334894 /nfs/dbraw/zinc/33/48/94/449334894.db2.gz RUDGFANNPNQVQA-CKYFFXLPSA-N 0 3 336.314 1.815 20 5 EDBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000596053399 449338571 /nfs/dbraw/zinc/33/85/71/449338571.db2.gz ZTFIOJREQUSSQZ-RXMQYKEDSA-N 0 3 333.313 1.166 20 5 EDBDHN O=c1[n-]ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000596189264 449404143 /nfs/dbraw/zinc/40/41/43/449404143.db2.gz HOEHNXRQGXGHQS-CQSZACIVSA-N 0 3 344.371 1.874 20 5 EDBDHN O=c1[n-]ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000596189264 449404151 /nfs/dbraw/zinc/40/41/51/449404151.db2.gz HOEHNXRQGXGHQS-CQSZACIVSA-N 0 3 344.371 1.874 20 5 EDBDHN CN1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596195848 449407572 /nfs/dbraw/zinc/40/75/72/449407572.db2.gz JANBJVLMTFKPOG-UHFFFAOYSA-N 0 3 349.435 1.522 20 5 EDBDHN CCN(CC)CC(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600541165 449432752 /nfs/dbraw/zinc/43/27/52/449432752.db2.gz OLJBQKQTORPSGA-INIZCTEOSA-N 0 3 337.376 1.441 20 5 EDBDHN C[C@](CO)(NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000612074404 449553758 /nfs/dbraw/zinc/55/37/58/449553758.db2.gz SJBXQPXHYKKQHU-MAUKXSAKSA-N 0 3 346.383 1.832 20 5 EDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CN)C(F)(F)F ZINC000594524660 449561336 /nfs/dbraw/zinc/56/13/36/449561336.db2.gz LHTUQPOEUAGSAQ-LLVKDONJSA-N 0 3 334.298 1.668 20 5 EDBDHN [NH3+]Cc1cc(=O)[n-]c(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000596653441 449588551 /nfs/dbraw/zinc/58/85/51/449588551.db2.gz KKXKBERYQXQWGZ-RYUDHWBXSA-N 0 3 347.379 1.019 20 5 EDBDHN CC(C)[C@H]1CNCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000602527841 449651611 /nfs/dbraw/zinc/65/16/11/449651611.db2.gz MKDLQYADNHNHNU-MRXNPFEDSA-N 0 3 343.387 1.851 20 5 EDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000594760791 449674371 /nfs/dbraw/zinc/67/43/71/449674371.db2.gz SYDRWXPJBNKTQG-RYUDHWBXSA-N 0 3 342.421 1.483 20 5 EDBDHN COc1cc(CNCCN(C)CC(F)F)c([N+](=O)[O-])cc1OC ZINC000599023448 449702017 /nfs/dbraw/zinc/70/20/17/449702017.db2.gz SMUSZQHYNOBJOV-UHFFFAOYSA-N 0 3 333.335 1.899 20 5 EDBDHN COC(=O)CCNC(=O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000599088058 449724977 /nfs/dbraw/zinc/72/49/77/449724977.db2.gz IRCWEVRBILOTEX-GFCCVEGCSA-N 0 3 337.376 1.623 20 5 EDBDHN COC[C@@H](O)CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602582959 449686781 /nfs/dbraw/zinc/68/67/81/449686781.db2.gz ZKFUKKBIFKOVAE-ZETCQYMHSA-N 0 3 339.211 1.906 20 5 EDBDHN CN1CCN(CC2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000601108807 449693604 /nfs/dbraw/zinc/69/36/04/449693604.db2.gz PQRNRUJZXYMZSQ-UHFFFAOYSA-N 0 3 337.399 1.593 20 5 EDBDHN CC[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000599107189 449740179 /nfs/dbraw/zinc/74/01/79/449740179.db2.gz KDNUZSUHNKTZMZ-NWDGAFQWSA-N 0 3 327.406 1.630 20 5 EDBDHN C[C@]12CN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC000602731256 449772326 /nfs/dbraw/zinc/77/23/26/449772326.db2.gz LZMZNDJWYIHPRM-BJESKFFQSA-N 0 3 329.356 1.593 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595089517 449865190 /nfs/dbraw/zinc/86/51/90/449865190.db2.gz JPNBWEPXVQHPOJ-CYBMUJFWSA-N 0 3 348.403 1.831 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000602864844 449872847 /nfs/dbraw/zinc/87/28/47/449872847.db2.gz KMMBUPPBNFBJSU-KRWDZBQOSA-N 0 3 343.431 1.958 20 5 EDBDHN Cc1cc(S(=O)(=O)N[C@H]2CNCC[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000595107980 449872956 /nfs/dbraw/zinc/87/29/56/449872956.db2.gz NUOZXABBUCMLQK-CABZTGNLSA-N 0 3 327.406 1.488 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601420724 449937342 /nfs/dbraw/zinc/93/73/42/449937342.db2.gz GIVGPKZSCQOWDA-PWSUYJOCSA-N 0 3 345.396 1.755 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000595195132 449937506 /nfs/dbraw/zinc/93/75/06/449937506.db2.gz ZSYCXUSGGUDANH-CYBMUJFWSA-N 0 3 348.403 1.751 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)c1 ZINC000601420665 449937690 /nfs/dbraw/zinc/93/76/90/449937690.db2.gz FCHOOJUSKBXODN-STQMWFEESA-N 0 3 341.433 1.925 20 5 EDBDHN C[C@@H]1CN(CCN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000602962993 449963752 /nfs/dbraw/zinc/96/37/52/449963752.db2.gz QXKRQAVNGVPJFJ-JKIFEVAISA-N 0 3 337.420 1.501 20 5 EDBDHN COC(=O)c1cc(C(=O)N2CCCC[C@@H]2CN(C)C)cc([N+](=O)[O-])c1 ZINC000609153870 449970172 /nfs/dbraw/zinc/97/01/72/449970172.db2.gz BZIZLEGSTZQBBA-CQSZACIVSA-N 0 3 349.387 1.938 20 5 EDBDHN COc1cc(CN2CCC(CCO)(CCO)CC2)ccc1[N+](=O)[O-] ZINC000602966950 449970282 /nfs/dbraw/zinc/97/02/82/449970282.db2.gz WZELQUMRBVXLEI-UHFFFAOYSA-N 0 3 338.404 1.950 20 5 EDBDHN CN(C)C[C@H](CO)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597652408 450171910 /nfs/dbraw/zinc/17/19/10/450171910.db2.gz BFJSJYZXNLMTEY-LLVKDONJSA-N 0 3 345.783 1.056 20 5 EDBDHN CS[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000595433847 450139838 /nfs/dbraw/zinc/13/98/38/450139838.db2.gz VFQCGXOCNZSZHA-YPMHNXCESA-N 0 3 326.422 1.903 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000610447426 450222527 /nfs/dbraw/zinc/22/25/27/450222527.db2.gz GVZKXLROYZNCPF-HUUCEWRRSA-N 0 3 327.388 1.860 20 5 EDBDHN CC[C@@H](CN1CCCC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000610577017 450265869 /nfs/dbraw/zinc/26/58/69/450265869.db2.gz VTZOEYGATSSYLE-AWEZNQCLSA-N 0 3 341.433 1.889 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000618924095 450342369 /nfs/dbraw/zinc/34/23/69/450342369.db2.gz QUZSYILIADYCEC-HNNXBMFYSA-N 0 3 341.795 1.777 20 5 EDBDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000372797874 486883158 /nfs/dbraw/zinc/88/31/58/486883158.db2.gz DUSJKOZFDXJDNC-HWPZZCPQSA-N 0 3 349.343 1.419 20 5 EDBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247669779 536473299 /nfs/dbraw/zinc/47/32/99/536473299.db2.gz ZFWHBYMYIWHWFY-SWLSCSKDSA-N 0 3 339.417 1.700 20 5 EDBDHN CCN(CCO)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000183986931 528544425 /nfs/dbraw/zinc/54/44/25/528544425.db2.gz ULDBXBJWMQWITI-LBPRGKRZSA-N 0 3 341.433 1.506 20 5 EDBDHN CN1CCC(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000347516965 536335797 /nfs/dbraw/zinc/33/57/97/536335797.db2.gz HRZQXXFRVCSYHI-UHFFFAOYSA-N 0 3 346.431 1.975 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000727703379 578537867 /nfs/dbraw/zinc/53/78/67/578537867.db2.gz OXADHSQWWAJYDL-CQSZACIVSA-N 0 3 338.433 1.992 20 5 EDBDHN CN(CCN1CCCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000728551014 578548805 /nfs/dbraw/zinc/54/88/05/578548805.db2.gz UIUCJDQKOTYFKA-UHFFFAOYSA-N 0 3 325.340 1.667 20 5 EDBDHN CCCN(CCN(C)C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000731632487 578677528 /nfs/dbraw/zinc/67/75/28/578677528.db2.gz IEEFOGPOVYZMBY-UHFFFAOYSA-N 0 3 337.376 1.586 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)c(OC(F)F)c1 ZINC000760526847 580032849 /nfs/dbraw/zinc/03/28/49/580032849.db2.gz YERRRZDSLWGNOZ-UHFFFAOYSA-N 0 3 331.319 1.701 20 5 EDBDHN CC(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735883043 578932725 /nfs/dbraw/zinc/93/27/25/578932725.db2.gz VLASYGORPDYMIS-UHFFFAOYSA-N 0 3 331.380 1.695 20 5 EDBDHN CC(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735883043 578932726 /nfs/dbraw/zinc/93/27/26/578932726.db2.gz VLASYGORPDYMIS-UHFFFAOYSA-N 0 3 331.380 1.695 20 5 EDBDHN CC(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735883043 578932727 /nfs/dbraw/zinc/93/27/27/578932727.db2.gz VLASYGORPDYMIS-UHFFFAOYSA-N 0 3 331.380 1.695 20 5 EDBDHN CC(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735883043 578932728 /nfs/dbraw/zinc/93/27/28/578932728.db2.gz VLASYGORPDYMIS-UHFFFAOYSA-N 0 3 331.380 1.695 20 5 EDBDHN Cc1nn(CN2CC[C@H]([C@@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749799287 579740145 /nfs/dbraw/zinc/74/01/45/579740145.db2.gz WFDVEZVSHXOMRG-QWHCGFSZSA-N 0 3 331.376 1.964 20 5 EDBDHN CS(=O)(=O)N1CC(CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778209994 580458640 /nfs/dbraw/zinc/45/86/40/580458640.db2.gz CBKYJDDGNNXCRZ-UHFFFAOYSA-N 0 3 333.797 1.229 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)CCN(C)C ZINC000755253428 579923686 /nfs/dbraw/zinc/92/36/86/579923686.db2.gz TUXZLSXDBJASKU-CCEZHUSRSA-N 0 3 348.447 1.950 20 5 EDBDHN CCN1CCN(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CC1 ZINC000763482777 580100797 /nfs/dbraw/zinc/10/07/97/580100797.db2.gz AVNNSAIGJRZGGM-UHFFFAOYSA-N 0 3 344.375 1.712 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)NCCO)CC1 ZINC000778939605 580476038 /nfs/dbraw/zinc/47/60/38/580476038.db2.gz VWEMTESMMGKNOW-ZDUSSCGKSA-N 0 3 335.404 1.785 20 5 EDBDHN C[C@H]1CN(C2CCOCC2)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785974808 580657143 /nfs/dbraw/zinc/65/71/43/580657143.db2.gz FFCKAUBRVBKXJB-KSSFIOAISA-N 0 3 349.431 1.813 20 5 EDBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2cccnc2[N+](=O)[O-])cc1 ZINC000788579776 580725017 /nfs/dbraw/zinc/72/50/17/580725017.db2.gz HDJVRHSWWXQLRT-UHFFFAOYSA-N 0 3 337.357 1.819 20 5 EDBDHN COC(=O)COc1ccc(CNCCc2ccnn2C)cc1[N+](=O)[O-] ZINC000788967982 580733868 /nfs/dbraw/zinc/73/38/68/580733868.db2.gz VAGJYYOLVKJEBM-UHFFFAOYSA-N 0 3 348.359 1.212 20 5 EDBDHN C[C@@H]1[C@H](Nc2ncnc(N[C@H]3CCN(C)[C@H]3C)c2[N+](=O)[O-])CCN1C ZINC000895734851 591264599 /nfs/dbraw/zinc/26/45/99/591264599.db2.gz ANXPXQDUKQATTI-MPZDIEGVSA-N 0 3 349.439 1.394 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CN(C2CCOCC2)C1 ZINC000895809569 591274461 /nfs/dbraw/zinc/27/44/61/591274461.db2.gz LKKGGNLYGZVJNY-UHFFFAOYSA-N 0 3 349.387 1.330 20 5 EDBDHN C[C@@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000727742090 591319927 /nfs/dbraw/zinc/31/99/27/591319927.db2.gz DYKVORUGLVFCJD-NSHDSACASA-N 0 3 331.376 1.543 20 5 EDBDHN CCO[C@H](CNc1c(Br)cncc1[N+](=O)[O-])CN(C)C ZINC000896114896 591348936 /nfs/dbraw/zinc/34/89/36/591348936.db2.gz GGRPMVOVHJIETN-SECBINFHSA-N 0 3 347.213 1.553 20 5 EDBDHN CCO[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])CN(C)C ZINC000896116987 591349365 /nfs/dbraw/zinc/34/93/65/591349365.db2.gz JGOWWZLHSJYVKX-GFCCVEGCSA-N 0 3 348.403 1.825 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCN3C3CCOCC3)nn21 ZINC000896521183 591490516 /nfs/dbraw/zinc/49/05/16/591490516.db2.gz HYPUNJXHJMOCNO-GFCCVEGCSA-N 0 3 332.364 1.303 20 5 EDBDHN CCN1CCC(NC(=O)COc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000902454980 591999570 /nfs/dbraw/zinc/99/95/70/591999570.db2.gz HPPHUOCQIYFFDJ-UHFFFAOYSA-N 0 3 337.376 1.583 20 5 EDBDHN COC[C@@H]1CNCCN1c1ccc([N+](=O)[O-])cc1Br ZINC000900451681 592021232 /nfs/dbraw/zinc/02/12/32/592021232.db2.gz VSGPFPGSSKBXDL-JTQLQIEISA-N 0 3 330.182 1.782 20 5 EDBDHN CC(C)N1CCN(CCC(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000900772283 592119838 /nfs/dbraw/zinc/11/98/38/592119838.db2.gz WOTIQFMQWRURFC-UHFFFAOYSA-N 0 3 346.431 1.900 20 5 EDBDHN CCC[C@@H](NC[C@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285704 592148838 /nfs/dbraw/zinc/14/88/38/592148838.db2.gz RQCWDTMSPOAQNW-SJORKVTESA-N 0 3 337.420 1.719 20 5 EDBDHN CN(CCN1CCCC1)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906559146 592844702 /nfs/dbraw/zinc/84/47/02/592844702.db2.gz VEZYPYWIGOJSPB-UHFFFAOYSA-N 0 3 349.387 1.924 20 5 EDBDHN COc1ccc(C(=O)N(CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000911937061 593039684 /nfs/dbraw/zinc/03/96/84/593039684.db2.gz IJAUAFYLTGTCLO-UHFFFAOYSA-N 0 3 337.376 1.132 20 5 EDBDHN CN(C)[C@@H]1CCCN(CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840001912 593330839 /nfs/dbraw/zinc/33/08/39/593330839.db2.gz FHHPCMWOEFFUKY-PBHICJAKSA-N 0 3 348.403 1.516 20 5 EDBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000804579559 593425789 /nfs/dbraw/zinc/42/57/89/593425789.db2.gz XUOOTPKUKIGBTP-NWDGAFQWSA-N 0 3 326.378 1.985 20 5 EDBDHN CC(COC(=O)CSc1nnc(-c2cccs2)n1C)[N+](=O)[O-] ZINC000813103738 593517837 /nfs/dbraw/zinc/51/78/37/593517837.db2.gz SAKIKAFSMWWZTG-QMMMGPOBSA-N 0 3 342.402 1.844 20 5 EDBDHN CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C2=O ZINC000813104689 593517883 /nfs/dbraw/zinc/51/78/83/593517883.db2.gz FVUAHEFIQWQWPN-NLTNOIMHSA-N 0 3 341.364 1.086 20 5 EDBDHN CSCC[C@@H](NC(=O)c1ccco1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111525 593518606 /nfs/dbraw/zinc/51/86/06/593518606.db2.gz UHVFPSRICUWMSO-NXEZZACHSA-N 0 3 330.362 1.340 20 5 EDBDHN COc1ccc(-c2cc(C(=O)OCC(C)[N+](=O)[O-])n[nH]2)cc1OC ZINC000813114642 593518833 /nfs/dbraw/zinc/51/88/33/593518833.db2.gz VCSHPBIIRFMEIP-VIFPVBQESA-N 0 3 335.316 1.916 20 5 EDBDHN CS(=O)(=O)CC1(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819130628 593740649 /nfs/dbraw/zinc/74/06/49/593740649.db2.gz CZEKJTDPSAYDDT-ZDUSSCGKSA-N 0 3 328.390 1.043 20 5 EDBDHN CN1CCC(N(CCO)C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824157852 593940611 /nfs/dbraw/zinc/94/06/11/593940611.db2.gz KHCAGWJPXZRHDL-DLBZAZTESA-N 0 3 347.415 1.613 20 5 EDBDHN CC[N@H+](C)C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821165787 593981209 /nfs/dbraw/zinc/98/12/09/593981209.db2.gz WAQLJUPUOIAYIT-NSHDSACASA-N 0 3 331.380 1.553 20 5 EDBDHN CC[N@@H+](C)C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821165787 593981210 /nfs/dbraw/zinc/98/12/10/593981210.db2.gz WAQLJUPUOIAYIT-NSHDSACASA-N 0 3 331.380 1.553 20 5 EDBDHN CC[N@H+](C)C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821165787 593981212 /nfs/dbraw/zinc/98/12/12/593981212.db2.gz WAQLJUPUOIAYIT-NSHDSACASA-N 0 3 331.380 1.553 20 5 EDBDHN CC[N@@H+](C)C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821165787 593981214 /nfs/dbraw/zinc/98/12/14/593981214.db2.gz WAQLJUPUOIAYIT-NSHDSACASA-N 0 3 331.380 1.553 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000829791715 594265369 /nfs/dbraw/zinc/26/53/69/594265369.db2.gz IYLRNYIKLRQFMP-LBPRGKRZSA-N 0 3 344.375 1.232 20 5 EDBDHN CN(C)CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000825886275 594268811 /nfs/dbraw/zinc/26/88/11/594268811.db2.gz DPKNZTMHTUVYMP-INIZCTEOSA-N 0 3 335.404 1.961 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C2CCCCCC2)n1 ZINC000826669142 594550840 /nfs/dbraw/zinc/55/08/40/594550840.db2.gz ZGGQOFNKILMZBK-ZDUSSCGKSA-N 0 3 335.408 1.855 20 5 EDBDHN Cc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000827473353 594675458 /nfs/dbraw/zinc/67/54/58/594675458.db2.gz IHTOUKRKTOQHBN-UHFFFAOYSA-N 0 3 346.431 1.755 20 5 EDBDHN CCO[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])CN(C)C ZINC000831756128 594699723 /nfs/dbraw/zinc/69/97/23/594699723.db2.gz BNMWCDWMSVOGHL-GFCCVEGCSA-N 0 3 325.365 1.300 20 5 EDBDHN C[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000833426860 594846324 /nfs/dbraw/zinc/84/63/24/594846324.db2.gz RNZFHSFXYDMLLW-DYVFJYSZSA-N 0 3 347.415 1.961 20 5 EDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000841176507 594864087 /nfs/dbraw/zinc/86/40/87/594864087.db2.gz BLODAEQZYQXZIO-SNVBAGLBSA-N 0 3 340.355 1.470 20 5 EDBDHN Cc1cc(Cl)c(C(=O)NC[C@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000842251843 595055829 /nfs/dbraw/zinc/05/58/29/595055829.db2.gz RPNGTYOBZIGIKO-OAHLLOKOSA-N 0 3 343.811 1.989 20 5 EDBDHN CC([C@@H](OC(=O)[C@H]1CCN(C)C(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875566 595085988 /nfs/dbraw/zinc/08/59/88/595085988.db2.gz NOXKNMSNHQDNIQ-JRPNMDOOSA-N 0 3 338.335 1.944 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000106363978 595254249 /nfs/dbraw/zinc/25/42/49/595254249.db2.gz SRPIIYHVVIVUJX-NSHDSACASA-N 0 3 325.340 1.665 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000844040480 595254806 /nfs/dbraw/zinc/25/48/06/595254806.db2.gz NFMQEAKRDRMKAL-OYVUYXNMSA-N 0 3 346.387 1.186 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CCCc3c2cnn3CCO)c1 ZINC000843066309 595279176 /nfs/dbraw/zinc/27/91/76/595279176.db2.gz UTCOUWUZAXVLFV-RDJZCZTQSA-N 0 3 346.387 1.484 20 5 EDBDHN C[NH+](C)CCOCC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848586035 595410406 /nfs/dbraw/zinc/41/04/06/595410406.db2.gz GSTKCMDPZZWTCU-UHFFFAOYSA-N 0 3 347.318 1.261 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000845344371 595482424 /nfs/dbraw/zinc/48/24/24/595482424.db2.gz VWQIJADOFCMVHZ-KGLIPLIRSA-N 0 3 337.351 1.256 20 5 EDBDHN COCCN1CCC(OC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000847885169 595496502 /nfs/dbraw/zinc/49/65/02/595496502.db2.gz KDCUKSYCNUOBKI-UHFFFAOYSA-N 0 3 338.360 1.871 20 5 EDBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)[N+](=O)[O-] ZINC000860777431 595792061 /nfs/dbraw/zinc/79/20/61/595792061.db2.gz PYBRYYUGAFAZIH-BDAKNGLRSA-N 0 3 328.271 1.526 20 5 EDBDHN CNc1ccc(C(=O)OC[C@@]2(C)C[C@H](OC)CN2C)cc1[N+](=O)[O-] ZINC000861340532 595948398 /nfs/dbraw/zinc/94/83/98/595948398.db2.gz INIRHXPLXNCHNE-BLLLJJGKSA-N 0 3 337.376 1.903 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC12CCCN(CCC1)C2 ZINC000861358961 595961815 /nfs/dbraw/zinc/96/18/15/595961815.db2.gz PLYRWPCHPVOXHO-UHFFFAOYSA-N 0 3 336.392 1.909 20 5 EDBDHN CC1(N2CCOCC2)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000859775936 596194479 /nfs/dbraw/zinc/19/44/79/596194479.db2.gz MERDBHWDDDYUOV-KRWDZBQOSA-N 0 3 349.431 1.815 20 5 EDBDHN CC1(N2CCOCC2)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000859777740 596194997 /nfs/dbraw/zinc/19/49/97/596194997.db2.gz XBVBHDAWGZRPKN-QGZVFWFLSA-N 0 3 349.431 1.815 20 5 EDBDHN CN1CC[C@@H]2CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000867811642 596563457 /nfs/dbraw/zinc/56/34/57/596563457.db2.gz FDFVSDFMAMWTIR-TZMCWYRMSA-N 0 3 339.417 1.451 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2[C@@H](CCN2C)C1 ZINC000867814254 596566535 /nfs/dbraw/zinc/56/65/35/596566535.db2.gz MJZDLDJZVHDMIZ-STQMWFEESA-N 0 3 339.417 1.618 20 5 EDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000874844431 597196959 /nfs/dbraw/zinc/19/69/59/597196959.db2.gz RYTMDTGOSSSGGA-CABCVRRESA-N 0 3 337.351 1.808 20 5 EDBDHN NC(=O)[C@@H](C1CC1)N(CCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000879491583 597606136 /nfs/dbraw/zinc/60/61/36/597606136.db2.gz JOCROILKMLSHGL-MRXNPFEDSA-N 0 3 333.388 1.950 20 5 EDBDHN CCN1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(NC[C@@H]2CCN2CC)n1 ZINC000882958852 598117035 /nfs/dbraw/zinc/11/70/35/598117035.db2.gz MLGGDGYQXLJQBM-QWHCGFSZSA-N 0 3 349.439 1.397 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)C2(C)CCCC2)CC1 ZINC000996850848 703138430 /nfs/dbraw/zinc/13/84/30/703138430.db2.gz UWTWXZJKQOJOOF-UHFFFAOYSA-N 0 3 349.435 1.989 20 5 EDBDHN CO[C@@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCSC1 ZINC000922571219 704037768 /nfs/dbraw/zinc/03/77/68/704037768.db2.gz IRUCNQFNFBWZLX-OAHLLOKOSA-N 0 3 340.401 1.978 20 5 EDBDHN COc1ccc(CN2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001005379864 708842400 /nfs/dbraw/zinc/84/24/00/708842400.db2.gz YIYPMCUSQZXKTO-HUUCEWRRSA-N 0 3 348.403 1.178 20 5 EDBDHN CCN1CC[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000413852923 304081330 /nfs/dbraw/zinc/08/13/30/304081330.db2.gz HCCUZMZSENPALR-ZDUSSCGKSA-N 0 3 334.376 1.593 20 5 EDBDHN O=C1C[C@@H](NCC2(O)CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000565159371 306376720 /nfs/dbraw/zinc/37/67/20/306376720.db2.gz YYNJLHDHIAWZKX-CQSZACIVSA-N 0 3 347.371 1.512 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000072639688 216287055 /nfs/dbraw/zinc/28/70/55/216287055.db2.gz RKKOWZVQRRYZRJ-GXTWGEPZSA-N 0 3 346.387 1.537 20 5 EDBDHN CC(C)NC(=O)[C@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414348053 304109472 /nfs/dbraw/zinc/10/94/72/304109472.db2.gz RSIKYKJZSRNIPM-NEPJUHHUSA-N 0 3 336.392 1.815 20 5 EDBDHN COc1ccc(-c2ccc(CNCCOCCO)o2)c([N+](=O)[O-])c1 ZINC000237288101 139046632 /nfs/dbraw/zinc/04/66/32/139046632.db2.gz GSMMXWNZQWIBEJ-UHFFFAOYSA-N 0 3 336.344 1.962 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC([NH3+])CC2)cc1C ZINC000237666527 139057460 /nfs/dbraw/zinc/05/74/60/139057460.db2.gz PHRQLYVISZPUGP-UHFFFAOYSA-N 0 3 327.406 1.760 20 5 EDBDHN CC[C@H](NC(=O)N1CCOC2(CNC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417852297 251298641 /nfs/dbraw/zinc/29/86/41/251298641.db2.gz NZUKYHWRTGYJNB-AWEZNQCLSA-N 0 3 334.376 1.430 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)N2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000417861088 251302499 /nfs/dbraw/zinc/30/24/99/251302499.db2.gz ZSUFIEKQDYWQBS-GFCCVEGCSA-N 0 3 334.376 1.348 20 5 EDBDHN CCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000112363987 220314974 /nfs/dbraw/zinc/31/49/74/220314974.db2.gz WCSCEERTPDIOGN-UHFFFAOYSA-N 0 3 333.385 1.744 20 5 EDBDHN COCCN(C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000263798217 139361166 /nfs/dbraw/zinc/36/11/66/139361166.db2.gz SFZSOJJQXKVMEH-UHFFFAOYSA-N 0 3 334.376 1.244 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1ccccc1 ZINC000116922510 221010778 /nfs/dbraw/zinc/01/07/78/221010778.db2.gz YTAVOOPMMQZZPE-UHFFFAOYSA-N 0 3 335.385 1.663 20 5 EDBDHN COc1ccc(CNC(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000264313423 139396328 /nfs/dbraw/zinc/39/63/28/139396328.db2.gz RBLBCKWQKBZHDZ-CYBMUJFWSA-N 0 3 336.392 1.839 20 5 EDBDHN CS[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271182565 140252592 /nfs/dbraw/zinc/25/25/92/140252592.db2.gz UTFXYPAJVWBZJP-JSGCOSHPSA-N 0 3 339.417 1.478 20 5 EDBDHN CN(C)[C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332144657 141130416 /nfs/dbraw/zinc/13/04/16/141130416.db2.gz MZSRUDCVCKPTJY-GFCCVEGCSA-N 0 3 335.360 1.071 20 5 EDBDHN CCN1CC[C@@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339393597 142035697 /nfs/dbraw/zinc/03/56/97/142035697.db2.gz KLWPYFRUMTVENE-WBVHZDCISA-N 0 3 335.404 1.769 20 5 EDBDHN C[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H](C)N1C ZINC000339622525 142098374 /nfs/dbraw/zinc/09/83/74/142098374.db2.gz ZUDMGIGHSLDLFL-STQMWFEESA-N 0 3 348.403 1.917 20 5 EDBDHN O=[N+]([O-])c1cnccc1NCCCN1CCN(c2ccncc2)CC1 ZINC000340157168 142286437 /nfs/dbraw/zinc/28/64/37/142286437.db2.gz CLRXRZYARVVLNW-UHFFFAOYSA-N 0 3 342.403 1.431 20 5 EDBDHN Cc1ccc(NCCCNC(=O)[C@H](N)CC(F)F)c([N+](=O)[O-])c1 ZINC000345722145 143125663 /nfs/dbraw/zinc/12/56/63/143125663.db2.gz WGITYJWCCZBXDF-SNVBAGLBSA-N 0 3 330.335 1.804 20 5 EDBDHN CCOc1cc(C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000346177656 143175552 /nfs/dbraw/zinc/17/55/52/143175552.db2.gz GJVRKHCEGVHLEB-JTQLQIEISA-N 0 3 325.365 1.682 20 5 EDBDHN COc1ccc(S(=O)(=O)NC(C)(C)CN(C)C)c([N+](=O)[O-])c1 ZINC000416507617 304326569 /nfs/dbraw/zinc/32/65/69/304326569.db2.gz LHXDRLLVHUOMAN-UHFFFAOYSA-N 0 3 331.394 1.222 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)n2nccc2[nH]1 ZINC000352571663 149068561 /nfs/dbraw/zinc/06/85/61/149068561.db2.gz XMICECJAYLWIIY-UHFFFAOYSA-N 0 3 327.344 1.605 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355313140 150212076 /nfs/dbraw/zinc/21/20/76/150212076.db2.gz GQUGOYKFAMSGRF-HZPDHXFCSA-N 0 3 349.387 1.295 20 5 EDBDHN Cc1nn(C)c(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000355713025 150370245 /nfs/dbraw/zinc/37/02/45/150370245.db2.gz FDMCYGXMVCHEAY-KRWDZBQOSA-N 0 3 345.403 1.686 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](CCO)C1 ZINC000357824423 151162576 /nfs/dbraw/zinc/16/25/76/151162576.db2.gz CKPNGFOFQCKWOA-LBPRGKRZSA-N 0 3 335.360 1.597 20 5 EDBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c(OCCN(C)C)c1 ZINC000360757957 152190536 /nfs/dbraw/zinc/19/05/36/152190536.db2.gz ZNOFLVDHQSVPTP-UHFFFAOYSA-N 0 3 347.375 1.829 20 5 EDBDHN CNc1c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000361205225 152334880 /nfs/dbraw/zinc/33/48/80/152334880.db2.gz VOZUSSZKZSRBJI-CYBMUJFWSA-N 0 3 349.435 1.250 20 5 EDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000370149002 155349385 /nfs/dbraw/zinc/34/93/85/155349385.db2.gz DKXBUQPRWGTBAP-IOASZLSFSA-N 0 3 332.404 1.948 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363688877 153030190 /nfs/dbraw/zinc/03/01/90/153030190.db2.gz DNUXLHHXURLNGR-VXGBXAGGSA-N 0 3 339.779 1.841 20 5 EDBDHN Nc1c(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000363695644 153032494 /nfs/dbraw/zinc/03/24/94/153032494.db2.gz BLHMUZYQVKYFMH-UONOGXRCSA-N 0 3 344.346 1.883 20 5 EDBDHN COC(=O)c1cc(NC[C@@H]2CN3CCC[C@H]3CO2)cc(C)c1[N+](=O)[O-] ZINC000364033099 153128879 /nfs/dbraw/zinc/12/88/79/153128879.db2.gz FQVGWHNPAYOOGK-UONOGXRCSA-N 0 3 349.387 1.965 20 5 EDBDHN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000364342198 153210120 /nfs/dbraw/zinc/21/01/20/153210120.db2.gz IEUQBKDJRRARGE-HUUCEWRRSA-N 0 3 335.408 1.657 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000262809196 292291884 /nfs/dbraw/zinc/29/18/84/292291884.db2.gz TUBDFPSGEHNQQP-CMPLNLGQSA-N 0 3 327.406 1.630 20 5 EDBDHN COc1ccc(NC(=O)CCN2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000367785493 154268803 /nfs/dbraw/zinc/26/88/03/154268803.db2.gz WPKZKJCZNYBHHS-ITGUQSILSA-N 0 3 335.360 1.102 20 5 EDBDHN CCc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371844089 156136385 /nfs/dbraw/zinc/13/63/85/156136385.db2.gz IRKHOPXSCCRTDZ-GJZGRUSLSA-N 0 3 333.388 1.750 20 5 EDBDHN COc1ccc(OCCN2CCCC[C@H]2C(=N)NO)c([N+](=O)[O-])c1 ZINC000364398283 162325132 /nfs/dbraw/zinc/32/51/32/162325132.db2.gz RWGKASGOMBEGHI-LBPRGKRZSA-N 0 3 338.364 1.793 20 5 EDBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CCCC2)C1 ZINC000171442557 227081840 /nfs/dbraw/zinc/08/18/40/227081840.db2.gz IWSAAZICACMLNY-LBPRGKRZSA-N 0 3 329.360 1.781 20 5 EDBDHN Cc1sc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000123099619 222215308 /nfs/dbraw/zinc/21/53/08/222215308.db2.gz SNARSNUGYJTBOV-SNVBAGLBSA-N 0 3 345.446 1.727 20 5 EDBDHN NS(=O)(=O)c1cccc(NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000273480087 268048172 /nfs/dbraw/zinc/04/81/72/268048172.db2.gz MGLDRLJXDVWZFL-UHFFFAOYSA-N 0 3 328.394 1.140 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCOC[C@H]1C ZINC000277945288 273236712 /nfs/dbraw/zinc/23/67/12/273236712.db2.gz RFWDVARHRVPFBS-NTZNESFSSA-N 0 3 337.376 1.945 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCOC1 ZINC000266267341 274119060 /nfs/dbraw/zinc/11/90/60/274119060.db2.gz ATODWBGZERJLNP-SDDRHHMPSA-N 0 3 337.376 1.945 20 5 EDBDHN Cc1c(NC(=O)[C@@H](C)N[C@H]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000130651028 274664586 /nfs/dbraw/zinc/66/45/86/274664586.db2.gz FMLBLBLPOYZGJQ-DYEKYZERSA-N 0 3 348.403 1.864 20 5 EDBDHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)Cc1ccccc1 ZINC000340470029 276863786 /nfs/dbraw/zinc/86/37/86/276863786.db2.gz MIDYGRJONNRZBK-AWEZNQCLSA-N 0 3 330.388 1.836 20 5 EDBDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000351520462 278113840 /nfs/dbraw/zinc/11/38/40/278113840.db2.gz FGGRHAIYDGQSPY-UONOGXRCSA-N 0 3 327.406 1.545 20 5 EDBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270382669 278167829 /nfs/dbraw/zinc/16/78/29/278167829.db2.gz QCLNRIQUADIPKJ-STQMWFEESA-N 0 3 326.378 1.985 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000332654424 280006148 /nfs/dbraw/zinc/00/61/48/280006148.db2.gz YYPYKSJRXYYPKD-WDEREUQCSA-N 0 3 335.360 1.579 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCO[C@H](CN(C)C)C1 ZINC000287464373 288243672 /nfs/dbraw/zinc/24/36/72/288243672.db2.gz SEOUVHIUHGELNN-GFCCVEGCSA-N 0 3 337.376 1.457 20 5 EDBDHN COC(=O)CC[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000288840655 288579015 /nfs/dbraw/zinc/57/90/15/288579015.db2.gz VWHQPXQAESHJRC-NSHDSACASA-N 0 3 329.740 1.145 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000291608916 289123165 /nfs/dbraw/zinc/12/31/65/289123165.db2.gz AUUWDGRVDKFGPS-HNNXBMFYSA-N 0 3 339.417 1.620 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000292366163 289326647 /nfs/dbraw/zinc/32/66/47/289326647.db2.gz LYTOVFQPKQWXJL-LBPRGKRZSA-N 0 3 335.408 1.433 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000262809197 301861104 /nfs/dbraw/zinc/86/11/04/301861104.db2.gz TUBDFPSGEHNQQP-JQWIXIFHSA-N 0 3 327.406 1.630 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293914239 303037437 /nfs/dbraw/zinc/03/74/37/303037437.db2.gz NYXIMTFRFMYNNE-GOEBONIOSA-N 0 3 349.387 1.295 20 5 EDBDHN COc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000294214549 303078369 /nfs/dbraw/zinc/07/83/69/303078369.db2.gz VWHDHSKHZPCETH-UHFFFAOYSA-N 0 3 333.348 1.614 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428552118 305011626 /nfs/dbraw/zinc/01/16/26/305011626.db2.gz UNQVOQSUYGDPSF-ZDUSSCGKSA-N 0 3 345.359 1.147 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000430194965 305047278 /nfs/dbraw/zinc/04/72/78/305047278.db2.gz LTYTXCGZUHBOBJ-CYBMUJFWSA-N 0 3 337.420 1.880 20 5 EDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430619276 305059407 /nfs/dbraw/zinc/05/94/07/305059407.db2.gz AYNPDBWTPKMTQH-LSDHHAIUSA-N 0 3 346.431 1.800 20 5 EDBDHN Cc1ccc(S(=O)(=O)NCC2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000445741694 305260101 /nfs/dbraw/zinc/26/01/01/305260101.db2.gz KQKGFOYDOGCVMQ-UHFFFAOYSA-N 0 3 327.406 1.666 20 5 EDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)N(C)C ZINC000448680536 305301396 /nfs/dbraw/zinc/30/13/96/305301396.db2.gz IRRYPEWFOIFOSF-JTQLQIEISA-N 0 3 327.406 1.359 20 5 EDBDHN C[C@H]1[C@@H](O)CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000451465722 305348066 /nfs/dbraw/zinc/34/80/66/305348066.db2.gz XLSMCXRTNAZVCQ-FZMZJTMJSA-N 0 3 335.360 1.738 20 5 EDBDHN CCn1cc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000451889382 305372070 /nfs/dbraw/zinc/37/20/70/305372070.db2.gz MJIAPRRZPXJDAY-OCCSQVGLSA-N 0 3 334.376 1.902 20 5 EDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000552155306 306176336 /nfs/dbraw/zinc/17/63/36/306176336.db2.gz PJRAJHXPZALCJC-BPNCWPANSA-N 0 3 339.417 1.209 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C[C@H]21 ZINC000378491051 447434304 /nfs/dbraw/zinc/43/43/04/447434304.db2.gz FHEPTLKNIRKKPS-GXFFZTMASA-N 0 3 333.344 1.490 20 5 EDBDHN O=C(NC1CC1)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065535952 441454225 /nfs/dbraw/zinc/45/42/25/441454225.db2.gz LYMRCBSJLMLAEX-UHFFFAOYSA-N 0 3 333.388 1.964 20 5 EDBDHN CCN1CCN(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000112918001 441566909 /nfs/dbraw/zinc/56/69/09/441566909.db2.gz VGHCLEYINNVNAQ-UHFFFAOYSA-N 0 3 349.435 1.151 20 5 EDBDHN COc1cc(C[NH2+][C@@H](C)CCN2CCOCC2)c([N+](=O)[O-])cc1[O-] ZINC000076897774 441692491 /nfs/dbraw/zinc/69/24/91/441692491.db2.gz ZPNRAXIHAXUBQR-LBPRGKRZSA-N 0 3 339.392 1.509 20 5 EDBDHN NC(=O)CC[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000170734662 442253725 /nfs/dbraw/zinc/25/37/25/442253725.db2.gz PHADSJCJAAEDAP-ZDUSSCGKSA-N 0 3 348.403 1.901 20 5 EDBDHN CN(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000169677315 442226453 /nfs/dbraw/zinc/22/64/53/442226453.db2.gz ZKBJJKRIMDDCOZ-RDJZCZTQSA-N 0 3 346.431 1.804 20 5 EDBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cnccc21 ZINC000176977613 442279843 /nfs/dbraw/zinc/27/98/43/442279843.db2.gz QIYWRRMBKUOZOL-UHFFFAOYSA-N 0 3 334.357 1.635 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]CC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000193205793 442722109 /nfs/dbraw/zinc/72/21/09/442722109.db2.gz DXAYJNLGJFEZNE-UHFFFAOYSA-N 0 3 345.421 1.470 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000188214930 442725437 /nfs/dbraw/zinc/72/54/37/442725437.db2.gz HHWPJVWBIWTGDZ-UHFFFAOYSA-N 0 3 348.403 1.784 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000268187654 442889566 /nfs/dbraw/zinc/88/95/66/442889566.db2.gz DIXXYNFSWWIKPH-JQWIXIFHSA-N 0 3 343.405 1.174 20 5 EDBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000182322725 318504137 /nfs/dbraw/zinc/50/41/37/318504137.db2.gz QNWNCIGIKWWANN-GJZGRUSLSA-N 0 3 342.417 1.916 20 5 EDBDHN NC(=O)c1cc([C@@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000266123618 443025079 /nfs/dbraw/zinc/02/50/79/443025079.db2.gz CHJASBLPDRFJMN-CYBMUJFWSA-N 0 3 343.387 1.839 20 5 EDBDHN CC(C)S(=O)(=O)N1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000266204340 443056577 /nfs/dbraw/zinc/05/65/77/443056577.db2.gz OXHAHJRTBMTDPV-UHFFFAOYSA-N 0 3 341.433 1.887 20 5 EDBDHN C[C@@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184803200 443078704 /nfs/dbraw/zinc/07/87/04/443078704.db2.gz VJTXKLTZPKEOSR-GRYCIOLGSA-N 0 3 334.376 1.556 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC[C@H](C[NH3+])C1 ZINC000382497361 319124061 /nfs/dbraw/zinc/12/40/61/319124061.db2.gz JUQLLAXZTJYJOS-UWVGGRQHSA-N 0 3 329.378 1.009 20 5 EDBDHN C[C@H](N[C@@H](CO)[C@@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411995514 319219746 /nfs/dbraw/zinc/21/97/46/319219746.db2.gz QADSWGBSTLGNSW-ZOWXZIJZSA-N 0 3 337.376 1.299 20 5 EDBDHN CCN(CCOCCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000282419842 443333993 /nfs/dbraw/zinc/33/39/93/443333993.db2.gz DRXGUALIOCNYFT-UHFFFAOYSA-N 0 3 348.403 1.826 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000269647343 443377698 /nfs/dbraw/zinc/37/76/98/443377698.db2.gz LKUJCJSFDLAKFQ-RHSMWYFYSA-N 0 3 335.404 1.282 20 5 EDBDHN COc1cc(C(=O)N(C)CCN(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000267144185 443356261 /nfs/dbraw/zinc/35/62/61/443356261.db2.gz VCYDMVJLOZJNSN-UHFFFAOYSA-N 0 3 347.318 1.838 20 5 EDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H](O)C(F)(F)F ZINC000616363019 450402019 /nfs/dbraw/zinc/40/20/19/450402019.db2.gz YNSGEIXHZQQNBS-GZMMTYOYSA-N 0 3 335.282 1.825 20 5 EDBDHN CN1CCN(CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267463525 443466499 /nfs/dbraw/zinc/46/64/99/443466499.db2.gz OVLGCHMHPWRWKX-UHFFFAOYSA-N 0 3 340.811 1.616 20 5 EDBDHN C[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000273449449 443573938 /nfs/dbraw/zinc/57/39/38/443573938.db2.gz OMWUWBFIEHZAJM-OLZOCXBDSA-N 0 3 341.433 1.441 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272430569 443622978 /nfs/dbraw/zinc/62/29/78/443622978.db2.gz YWIDTHLXTLGCLG-UFBFGSQYSA-N 0 3 347.400 1.812 20 5 EDBDHN COc1ccc(NC(=O)CCN2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000279851748 443632887 /nfs/dbraw/zinc/63/28/87/443632887.db2.gz SAVMVSPHJFBRGS-AWEZNQCLSA-N 0 3 337.376 1.635 20 5 EDBDHN C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1CC(C)(C)O ZINC000443983130 320118052 /nfs/dbraw/zinc/11/80/52/320118052.db2.gz QWHSRHYMCGZYCH-GFCCVEGCSA-N 0 3 345.403 1.819 20 5 EDBDHN CC(C)[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000487983558 320357064 /nfs/dbraw/zinc/35/70/64/320357064.db2.gz VVWSKDHHNBAOCP-HOCLYGCPSA-N 0 3 337.420 1.607 20 5 EDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000288126594 443779319 /nfs/dbraw/zinc/77/93/19/443779319.db2.gz KJXTULGMRYQZFO-DOMZBBRYSA-N 0 3 346.387 1.619 20 5 EDBDHN C[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285173573 443882763 /nfs/dbraw/zinc/88/27/63/443882763.db2.gz MZWXCILIUYUREZ-CMPLNLGQSA-N 0 3 342.421 1.252 20 5 EDBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000298790130 443868951 /nfs/dbraw/zinc/86/89/51/443868951.db2.gz JGLHHXQSIYTZNK-LBPRGKRZSA-N 0 3 335.360 1.727 20 5 EDBDHN CC(C)(CO)[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000293180461 443945180 /nfs/dbraw/zinc/94/51/80/443945180.db2.gz VYEFCBPNGXNMSI-QGZVFWFLSA-N 0 3 347.415 1.871 20 5 EDBDHN COC(=O)CC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000288797486 443986317 /nfs/dbraw/zinc/98/63/17/443986317.db2.gz RIDZTMCVJWRRFH-CQSZACIVSA-N 0 3 337.376 1.612 20 5 EDBDHN Cc1nn(C)c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)c1[N+](=O)[O-] ZINC000568984546 321312888 /nfs/dbraw/zinc/31/28/88/321312888.db2.gz NSVWJFDKMCZPDJ-QWHCGFSZSA-N 0 3 347.350 1.343 20 5 EDBDHN CC1=CCN(CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000302150074 444206188 /nfs/dbraw/zinc/20/61/88/444206188.db2.gz LEADJTNFDKHJPC-UHFFFAOYSA-N 0 3 340.405 1.306 20 5 EDBDHN Cc1cccc(N2CCN(C(=O)CN3CCCC3)CC2)c1[N+](=O)[O-] ZINC000302519115 444215562 /nfs/dbraw/zinc/21/55/62/444215562.db2.gz WUOMDGNVDLVMCW-UHFFFAOYSA-N 0 3 332.404 1.648 20 5 EDBDHN N[C@@H]1C[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O ZINC000579252681 321909658 /nfs/dbraw/zinc/90/96/58/321909658.db2.gz AHMNVTQQINTNLN-NXEZZACHSA-N 0 3 344.293 1.362 20 5 EDBDHN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580436851 322051077 /nfs/dbraw/zinc/05/10/77/322051077.db2.gz XDRIHNAKOZJXJA-UAKXVISKSA-N 0 3 336.323 1.403 20 5 EDBDHN CN1CC[C@]2(CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C2)C1 ZINC000581405337 322172434 /nfs/dbraw/zinc/17/24/34/322172434.db2.gz UJGDQDHOSHATAX-INIZCTEOSA-N 0 3 329.360 1.776 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000332654423 444524467 /nfs/dbraw/zinc/52/44/67/444524467.db2.gz YYPYKSJRXYYPKD-QWRGUYRKSA-N 0 3 335.360 1.579 20 5 EDBDHN CNC(=O)N[C@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342365793 444658324 /nfs/dbraw/zinc/65/83/24/444658324.db2.gz VQUNLWCYXKRHAZ-LBPRGKRZSA-N 0 3 349.391 1.235 20 5 EDBDHN NC(=O)[C@H](Cc1ccc(F)cc1)NCCNc1ccccc1[N+](=O)[O-] ZINC000342408210 444679637 /nfs/dbraw/zinc/67/96/37/444679637.db2.gz IIPMMPNNCBLNNY-HNNXBMFYSA-N 0 3 346.362 1.832 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000341323112 444778441 /nfs/dbraw/zinc/77/84/41/444778441.db2.gz TVLPAGUYMNBOMQ-MLGOLLRUSA-N 0 3 347.419 1.789 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342922314 444943108 /nfs/dbraw/zinc/94/31/08/444943108.db2.gz WJLCLUGYCSJPFE-LLVKDONJSA-N 0 3 332.360 1.527 20 5 EDBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000337242723 445000555 /nfs/dbraw/zinc/00/05/55/445000555.db2.gz HEFLAVAGAWGHAI-UHFFFAOYSA-N 0 3 332.364 1.225 20 5 EDBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000337242723 445000558 /nfs/dbraw/zinc/00/05/58/445000558.db2.gz HEFLAVAGAWGHAI-UHFFFAOYSA-N 0 3 332.364 1.225 20 5 EDBDHN CCN(CC)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000341815941 445014345 /nfs/dbraw/zinc/01/43/45/445014345.db2.gz SFWNEAUFRZZMAJ-LBPRGKRZSA-N 0 3 336.392 1.688 20 5 EDBDHN CC(=O)N1CCC(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000330665344 445087032 /nfs/dbraw/zinc/08/70/32/445087032.db2.gz HBHWCPVMZOZOBJ-INIZCTEOSA-N 0 3 346.387 1.301 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000330719987 445111019 /nfs/dbraw/zinc/11/10/19/445111019.db2.gz WSFHVESYCBDOPO-QMTHXVAHSA-N 0 3 341.795 1.775 20 5 EDBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000342006072 445119790 /nfs/dbraw/zinc/11/97/90/445119790.db2.gz BQZREBDBHLAPPG-UHFFFAOYSA-N 0 3 346.387 1.843 20 5 EDBDHN COc1ccc(NC(=O)CN(C)[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000348185868 445309859 /nfs/dbraw/zinc/30/98/59/445309859.db2.gz ABIGPAXMXCJNJB-ZDUSSCGKSA-N 0 3 348.403 1.710 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000353733621 445730010 /nfs/dbraw/zinc/73/00/10/445730010.db2.gz AOIGZWYOUCDKQB-NSHDSACASA-N 0 3 325.365 1.186 20 5 EDBDHN CN(CC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361813959 445967503 /nfs/dbraw/zinc/96/75/03/445967503.db2.gz LHJQIVQFQJZYSP-AWEZNQCLSA-N 0 3 332.404 1.726 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000373141674 446056098 /nfs/dbraw/zinc/05/60/98/446056098.db2.gz QHNRCHWPSZAERS-CABCVRRESA-N 0 3 335.404 1.895 20 5 EDBDHN CN1CCC2(CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000373147023 446057219 /nfs/dbraw/zinc/05/72/19/446057219.db2.gz JOTASERUTPZYAT-UHFFFAOYSA-N 0 3 333.388 1.918 20 5 EDBDHN CSC1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCN(C)CC1 ZINC000359258342 446093325 /nfs/dbraw/zinc/09/33/25/446093325.db2.gz ISTRGRUUCMTIHJ-UHFFFAOYSA-N 0 3 338.433 1.734 20 5 EDBDHN CN(C)[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000351494821 446098002 /nfs/dbraw/zinc/09/80/02/446098002.db2.gz ROFMLAXCRROFCK-CYBMUJFWSA-N 0 3 338.339 1.129 20 5 EDBDHN CN1CCC[C@H](N2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000369359140 446101363 /nfs/dbraw/zinc/10/13/63/446101363.db2.gz PHTDGIWTHUDWRD-KRWDZBQOSA-N 0 3 348.447 1.685 20 5 EDBDHN Cc1c(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000362288563 446307646 /nfs/dbraw/zinc/30/76/46/446307646.db2.gz PZZCFMMRUAQJJK-IAQYHMDHSA-N 0 3 348.359 1.978 20 5 EDBDHN C[C@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CN ZINC000420295318 446457038 /nfs/dbraw/zinc/45/70/38/446457038.db2.gz VFQOGDPQRZDUDE-SWLSCSKDSA-N 0 3 341.433 1.428 20 5 EDBDHN CCN(CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000444166647 447085214 /nfs/dbraw/zinc/08/52/14/447085214.db2.gz JRZLQRYMUNRWDZ-UHFFFAOYSA-N 0 3 329.422 1.745 20 5 EDBDHN CCCCOC[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375920373 447150307 /nfs/dbraw/zinc/15/03/07/447150307.db2.gz NJATYGVQCJPTER-AWEZNQCLSA-N 0 3 326.397 1.606 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2CCOC[C@@H]2C1 ZINC000368816390 447130751 /nfs/dbraw/zinc/13/07/51/447130751.db2.gz KAJYYEYANVFHGB-HNNXBMFYSA-N 0 3 348.403 1.248 20 5 EDBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1NCCc2ccccc21 ZINC000375961348 447176976 /nfs/dbraw/zinc/17/69/76/447176976.db2.gz BCQDMZUPCMAZEV-QGZVFWFLSA-N 0 3 341.367 1.977 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000421521862 447179643 /nfs/dbraw/zinc/17/96/43/447179643.db2.gz AQJUQRFLQPGRIF-HNNXBMFYSA-N 0 3 348.447 1.967 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1(CCO)CCN(C)CC1 ZINC000421800233 447254441 /nfs/dbraw/zinc/25/44/41/447254441.db2.gz GRGSSRFDDAUJCR-UHFFFAOYSA-N 0 3 335.404 1.788 20 5 EDBDHN CN1C(=O)NCC12CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000425544102 447222129 /nfs/dbraw/zinc/22/21/29/447222129.db2.gz QFFLOWDWLJGRFS-UHFFFAOYSA-N 0 3 334.376 1.463 20 5 EDBDHN O=C(CN1CC[C@H](c2nc[nH]n2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000425551244 447228115 /nfs/dbraw/zinc/22/81/15/447228115.db2.gz QCTHXWRQRRJZLU-LBPRGKRZSA-N 0 3 342.359 1.092 20 5 EDBDHN COC(=O)c1cc(C(=O)NCCN2CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000457081461 447510589 /nfs/dbraw/zinc/51/05/89/447510589.db2.gz VRYIKEJFNOOIKJ-UHFFFAOYSA-N 0 3 349.387 1.986 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000420014715 447545806 /nfs/dbraw/zinc/54/58/06/447545806.db2.gz LCDVOKRLFPMONB-CQSZACIVSA-N 0 3 329.784 1.681 20 5 EDBDHN COCCNCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420227205 447677884 /nfs/dbraw/zinc/67/78/84/447677884.db2.gz NHJWCMVHIHCYNT-UHFFFAOYSA-N 0 3 347.375 1.207 20 5 EDBDHN COC[C@@]1(C(=O)OCC(C)[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC000496546514 447815320 /nfs/dbraw/zinc/81/53/20/447815320.db2.gz HHFOZFANHGHRHW-XHDPSFHLSA-N 0 3 346.380 1.468 20 5 EDBDHN CC(COC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496667454 447844674 /nfs/dbraw/zinc/84/46/74/447844674.db2.gz KWGRCGKLBOMZFW-QWRGUYRKSA-N 0 3 332.353 1.221 20 5 EDBDHN C[C@H](CO)CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576030141 447953459 /nfs/dbraw/zinc/95/34/59/447953459.db2.gz OXXMLVAWAHWFLL-LBPRGKRZSA-N 0 3 330.406 1.367 20 5 EDBDHN CNc1nccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000575933699 447932383 /nfs/dbraw/zinc/93/23/83/447932383.db2.gz SODAPIPMONDXMY-DGCLKSJQSA-N 0 3 333.392 1.588 20 5 EDBDHN COCCCN(C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000525602012 448005916 /nfs/dbraw/zinc/00/59/16/448005916.db2.gz DYJFBVDNKZSKPY-UHFFFAOYSA-N 0 3 339.348 1.022 20 5 EDBDHN CC1(C)CCCN1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000556705033 448137947 /nfs/dbraw/zinc/13/79/47/448137947.db2.gz JPDSVCLYLPJVBO-UHFFFAOYSA-N 0 3 349.387 1.970 20 5 EDBDHN Cc1cc([N+](=O)[O-])cn(C[C@@H](O)CN(C)Cc2ccccc2)c1=O ZINC000591241514 448296947 /nfs/dbraw/zinc/29/69/47/448296947.db2.gz VLJQRANIZQVWJI-INIZCTEOSA-N 0 3 331.372 1.558 20 5 EDBDHN C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000591377837 448350375 /nfs/dbraw/zinc/35/03/75/448350375.db2.gz IKVZZWKRVUUXOV-GJZGRUSLSA-N 0 3 337.420 1.751 20 5 EDBDHN COC(=O)c1cc(NC(=O)[C@H]2CNCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000591672634 448442071 /nfs/dbraw/zinc/44/20/71/448442071.db2.gz RBYWKXSOPYBKLX-LLVKDONJSA-N 0 3 343.286 1.565 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000517004404 448519402 /nfs/dbraw/zinc/51/94/02/448519402.db2.gz IMIYIWUXLHNFQR-GJZGRUSLSA-N 0 3 348.447 1.841 20 5 EDBDHN CN(C)c1ncc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])n1C ZINC000578350682 448525568 /nfs/dbraw/zinc/52/55/68/448525568.db2.gz UDTYAOYCDRSLHW-UHFFFAOYSA-N 0 3 346.391 1.513 20 5 EDBDHN COc1cccc2c1CC[C@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578521992 448569397 /nfs/dbraw/zinc/56/93/97/448569397.db2.gz VXFNEMPQUPCULY-IUODEOHRSA-N 0 3 332.360 1.438 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H](C)S(C)(=O)=O ZINC000537940614 448575834 /nfs/dbraw/zinc/57/58/34/448575834.db2.gz QJWIVUDVZDSXLV-MNOVXSKESA-N 0 3 343.405 1.335 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000591985221 448611458 /nfs/dbraw/zinc/61/14/58/448611458.db2.gz MIMRLYRIHUGSNR-SNVBAGLBSA-N 0 3 326.784 1.804 20 5 EDBDHN C[C@@H]1C[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000574150551 448801316 /nfs/dbraw/zinc/80/13/16/448801316.db2.gz CYCRGMHPLCDFDF-OSAQELSMSA-N 0 3 332.360 1.654 20 5 EDBDHN C[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000574271638 448832904 /nfs/dbraw/zinc/83/29/04/448832904.db2.gz WFEUZMHYQBNVTJ-WDEREUQCSA-N 0 3 330.431 1.852 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(CO)CCC2)cc1 ZINC000592430442 448833047 /nfs/dbraw/zinc/83/30/47/448833047.db2.gz OZUNZBSPZKQQAQ-UHFFFAOYSA-N 0 3 328.390 1.121 20 5 EDBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000592431333 448833201 /nfs/dbraw/zinc/83/32/01/448833201.db2.gz TVCDUTKKEROKLQ-AUTRQRHGSA-N 0 3 338.282 1.236 20 5 EDBDHN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000592432741 448834526 /nfs/dbraw/zinc/83/45/26/448834526.db2.gz UQTMGESNWONIIJ-CABCVRRESA-N 0 3 344.433 1.754 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000546626582 448834615 /nfs/dbraw/zinc/83/46/15/448834615.db2.gz NCZOYSIKFUSATF-GFCCVEGCSA-N 0 3 348.403 1.751 20 5 EDBDHN O=C(CCN1CCN(c2ncc[nH]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000520700393 448923945 /nfs/dbraw/zinc/92/39/45/448923945.db2.gz FBBIIOHSEOHADB-UHFFFAOYSA-N 0 3 344.375 1.469 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCC2(O)CCC2)cc1 ZINC000574802952 448959498 /nfs/dbraw/zinc/95/94/98/448959498.db2.gz DKLLSNLOAHEFCW-UHFFFAOYSA-N 0 3 342.417 1.653 20 5 EDBDHN O=C(N[C@@H](CO)CN1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000588869932 448943029 /nfs/dbraw/zinc/94/30/29/448943029.db2.gz QPPZOKSKXWQXHS-LLVKDONJSA-N 0 3 332.360 1.263 20 5 EDBDHN Cc1c(CC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000592870450 449028124 /nfs/dbraw/zinc/02/81/24/449028124.db2.gz FBWSKYUZIXAGIZ-ZDUSSCGKSA-N 0 3 348.403 1.024 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])CCO2 ZINC000592898610 449042931 /nfs/dbraw/zinc/04/29/31/449042931.db2.gz JOOATYYIBGYREH-UHFFFAOYSA-N 0 3 337.351 1.671 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590280593 449123772 /nfs/dbraw/zinc/12/37/72/449123772.db2.gz IKLGUQBDGUXIJV-BXUZGUMPSA-N 0 3 332.360 1.004 20 5 EDBDHN CN1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590442351 449163614 /nfs/dbraw/zinc/16/36/14/449163614.db2.gz FMOSZNOYPALVDQ-XJKSGUPXSA-N 0 3 341.371 1.557 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000590446409 449167122 /nfs/dbraw/zinc/16/71/22/449167122.db2.gz VBSVAMOMWBBQDI-LRDDRELGSA-N 0 3 341.371 1.557 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000590590468 449207048 /nfs/dbraw/zinc/20/70/48/449207048.db2.gz XMLNVKRISPAQOC-TZMCWYRMSA-N 0 3 341.433 1.925 20 5 EDBDHN COCC1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000590601248 449215226 /nfs/dbraw/zinc/21/52/26/449215226.db2.gz PUZHKJOBBFTFCP-UHFFFAOYSA-N 0 3 337.376 1.343 20 5 EDBDHN C[C@H](CCCCO)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611520925 449318199 /nfs/dbraw/zinc/31/81/99/449318199.db2.gz QTSBYZMNAWVJBX-GFCCVEGCSA-N 0 3 345.421 1.014 20 5 EDBDHN COc1ccc(CNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000602078859 449327688 /nfs/dbraw/zinc/32/76/88/449327688.db2.gz AHXQPULTJIHPNE-IUODEOHRSA-N 0 3 335.360 1.083 20 5 EDBDHN CC1(C)OCC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000596065342 449343676 /nfs/dbraw/zinc/34/36/76/449343676.db2.gz FCUBDJFBOVDYGH-GFCCVEGCSA-N 0 3 342.417 1.773 20 5 EDBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000602112495 449355202 /nfs/dbraw/zinc/35/52/02/449355202.db2.gz QTUQFFNHZNGGHS-SJORKVTESA-N 0 3 347.415 1.897 20 5 EDBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000598343123 449358004 /nfs/dbraw/zinc/35/80/04/449358004.db2.gz SWMJIAGHQBCAMM-NSHDSACASA-N 0 3 335.360 1.580 20 5 EDBDHN O=C([C@H]1CN2CCC[C@@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602125984 449365372 /nfs/dbraw/zinc/36/53/72/449365372.db2.gz UUQUOCASRHPAKI-NVXWUHKLSA-N 0 3 345.399 1.949 20 5 EDBDHN CN1CCC[C@H](N2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)C1 ZINC000596128304 449377516 /nfs/dbraw/zinc/37/75/16/449377516.db2.gz HHKBTWUQFBVDGI-LBPRGKRZSA-N 0 3 339.827 1.859 20 5 EDBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000596048539 449335794 /nfs/dbraw/zinc/33/57/94/449335794.db2.gz BFNBPEAIRMDGBA-SECBINFHSA-N 0 3 327.284 1.105 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000596051314 449337389 /nfs/dbraw/zinc/33/73/89/449337389.db2.gz MSAZXIIHELOKHI-JTQLQIEISA-N 0 3 341.311 1.413 20 5 EDBDHN CN1CC[C@](O)(CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596198850 449409535 /nfs/dbraw/zinc/40/95/35/449409535.db2.gz XIZZBNRRCBOXTQ-LBPRGKRZSA-N 0 3 330.182 1.836 20 5 EDBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596214606 449420650 /nfs/dbraw/zinc/42/06/50/449420650.db2.gz XFJJZTWIHZLNPJ-GFCCVEGCSA-N 0 3 348.403 1.383 20 5 EDBDHN CCCN(C)CC(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600539835 449431344 /nfs/dbraw/zinc/43/13/44/449431344.db2.gz BXDZJRGOGXNKFL-INIZCTEOSA-N 0 3 337.376 1.441 20 5 EDBDHN NC(=O)c1cc(NC2CCN([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596167831 449394011 /nfs/dbraw/zinc/39/40/11/449394011.db2.gz NPXLMXOOJVRERT-CYBMUJFWSA-N 0 3 334.376 1.359 20 5 EDBDHN CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000600621168 449462569 /nfs/dbraw/zinc/46/25/69/449462569.db2.gz ZHOCKJQQOWURCH-IXDOHACOSA-N 0 3 347.415 1.895 20 5 EDBDHN CN1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC12CCCCC2 ZINC000596251733 449439780 /nfs/dbraw/zinc/43/97/80/449439780.db2.gz XTMHCBMEHSXBIW-UHFFFAOYSA-N 0 3 333.392 1.543 20 5 EDBDHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000596454976 449511060 /nfs/dbraw/zinc/51/10/60/449511060.db2.gz XQCHZICVNOCBPJ-UHFFFAOYSA-N 0 3 332.404 1.829 20 5 EDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000594612898 449594094 /nfs/dbraw/zinc/59/40/94/449594094.db2.gz OTVJNGBLMZWGER-QWHCGFSZSA-N 0 3 343.330 1.447 20 5 EDBDHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC000598894684 449634862 /nfs/dbraw/zinc/63/48/62/449634862.db2.gz RJMWYXXBNBYSEU-GFCCVEGCSA-N 0 3 347.375 1.069 20 5 EDBDHN O=[N+]([O-])c1sc(CNCCCOCCO)cc1Br ZINC000602598549 449696747 /nfs/dbraw/zinc/69/67/47/449696747.db2.gz WLZVNSSBJDBGNP-UHFFFAOYSA-N 0 3 339.211 1.907 20 5 EDBDHN CC(C)(C)[N@@H+]1CC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000594791271 449700623 /nfs/dbraw/zinc/70/06/23/449700623.db2.gz NKBHVFSWNKTIDI-GFCCVEGCSA-N 0 3 341.433 1.994 20 5 EDBDHN CC(C)(C)[N@H+]1CC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000594791271 449700627 /nfs/dbraw/zinc/70/06/27/449700627.db2.gz NKBHVFSWNKTIDI-GFCCVEGCSA-N 0 3 341.433 1.994 20 5 EDBDHN CN1C[C@@H]2CCCN(c3c([N+](=O)[O-])c(C(F)(F)F)nn3C)[C@@H]2C1 ZINC000601178624 449735921 /nfs/dbraw/zinc/73/59/21/449735921.db2.gz AGDZHVVOTRWMKD-DTWKUNHWSA-N 0 3 333.314 1.878 20 5 EDBDHN CCO[C@@H]1C[C@H](O)C12CCN(CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602778144 449802223 /nfs/dbraw/zinc/80/22/23/449802223.db2.gz BYHDIKSALBMBAK-UONOGXRCSA-N 0 3 338.408 1.352 20 5 EDBDHN CCO[C@H]1C[C@@H](O)C12CCN(CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602778143 449802318 /nfs/dbraw/zinc/80/23/18/449802318.db2.gz BYHDIKSALBMBAK-KGLIPLIRSA-N 0 3 338.408 1.352 20 5 EDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@]1(OCCO)CCOC1)CCC2 ZINC000595078619 449857560 /nfs/dbraw/zinc/85/75/60/449857560.db2.gz PQTGWALYIUHAMD-SJORKVTESA-N 0 3 336.388 1.730 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000595121293 449882808 /nfs/dbraw/zinc/88/28/08/449882808.db2.gz NOQIXONIYCRLRB-LLVKDONJSA-N 0 3 331.394 1.255 20 5 EDBDHN CN(C)CCCS(=O)(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000601414451 449931552 /nfs/dbraw/zinc/93/15/52/449931552.db2.gz YVRKKESLJQVKIL-UHFFFAOYSA-N 0 3 329.422 1.351 20 5 EDBDHN CS[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1N1CCCC1 ZINC000614978252 449901685 /nfs/dbraw/zinc/90/16/85/449901685.db2.gz RBCQWAZTQJOWTE-RYUDHWBXSA-N 0 3 348.432 1.654 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000602917244 449920212 /nfs/dbraw/zinc/92/02/12/449920212.db2.gz ZRBGLBTZZVGLSA-MGPQQGTHSA-N 0 3 336.392 1.763 20 5 EDBDHN CO[C@@H](CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCOC1 ZINC000595291984 450006750 /nfs/dbraw/zinc/00/67/50/450006750.db2.gz YYWBTCMYAQQLBH-YOEHRIQHSA-N 0 3 335.404 1.768 20 5 EDBDHN COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000609347059 450017765 /nfs/dbraw/zinc/01/77/65/450017765.db2.gz MICTXHOLYJPAPP-UHFFFAOYSA-N 0 3 338.408 1.553 20 5 EDBDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000615312965 450059085 /nfs/dbraw/zinc/05/90/85/450059085.db2.gz KGKOPVABODONTE-CYBMUJFWSA-N 0 3 348.403 1.832 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000599574039 450076796 /nfs/dbraw/zinc/07/67/96/450076796.db2.gz MPTLASATLGCSOT-GOEBONIOSA-N 0 3 331.376 1.678 20 5 EDBDHN CN1CCC[C@H](N2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000609672937 450082311 /nfs/dbraw/zinc/08/23/11/450082311.db2.gz YYAYQKCSKQUHTJ-AWEZNQCLSA-N 0 3 336.411 1.946 20 5 EDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597606963 450143472 /nfs/dbraw/zinc/14/34/72/450143472.db2.gz ZNZIRWGGXFGOQX-LBPRGKRZSA-N 0 3 335.360 1.880 20 5 EDBDHN C[C@H](C(=O)N1CC(CN2CCN(C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597693102 450201386 /nfs/dbraw/zinc/20/13/86/450201386.db2.gz AWVOWIACCPICMQ-AWEZNQCLSA-N 0 3 346.431 1.404 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000610403355 450207354 /nfs/dbraw/zinc/20/73/54/450207354.db2.gz NUABAMNBIQBTHM-CHWSQXEVSA-N 0 3 336.392 1.756 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)Cc1ccccc1 ZINC000595599519 450256359 /nfs/dbraw/zinc/25/63/59/450256359.db2.gz XKHLDGJBHWVWOP-INIZCTEOSA-N 0 3 331.372 1.292 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC(C3CCOCC3)C2)c1 ZINC000619706024 450311725 /nfs/dbraw/zinc/31/17/25/450311725.db2.gz FHFXLVMGIQTCII-INIZCTEOSA-N 0 3 336.388 1.693 20 5 EDBDHN CN(C)CCO[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000610764478 450327292 /nfs/dbraw/zinc/32/72/92/450327292.db2.gz WXJXWCQARURZSW-SNVBAGLBSA-N 0 3 325.394 1.461 20 5 EDBDHN CC(C)c1[nH]nc(C(=O)Nc2cnn(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000610921394 450380574 /nfs/dbraw/zinc/38/05/74/450380574.db2.gz CLECMSOQAFYMCC-UHFFFAOYSA-N 0 3 335.368 1.452 20 5 EDBDHN CCCN(CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619488490 450488174 /nfs/dbraw/zinc/48/81/74/450488174.db2.gz GEFRRWZRGYLIBB-UHFFFAOYSA-N 0 3 345.421 1.614 20 5 EDBDHN COc1ccc(NC(=O)CCN2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452073509 486238213 /nfs/dbraw/zinc/23/82/13/486238213.db2.gz ZBDKRKOXHGMKRU-NEPJUHHUSA-N 0 3 337.376 1.635 20 5 EDBDHN C[C@@H](CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000183975922 533739504 /nfs/dbraw/zinc/73/95/04/533739504.db2.gz SBUKYCCOUDXSAQ-JQWIXIFHSA-N 0 3 325.394 1.344 20 5 EDBDHN COc1cc(CCNC(=O)[C@@H](N)C(C)C)c([N+](=O)[O-])cc1OC ZINC000177946048 533765454 /nfs/dbraw/zinc/76/54/54/533765454.db2.gz VZTNUUYPZVACKB-AWEZNQCLSA-N 0 3 325.365 1.254 20 5 EDBDHN C[C@@H](C[S@](C)=O)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184269698 534228497 /nfs/dbraw/zinc/22/84/97/534228497.db2.gz FAKAQMLMXKJMOP-RULNZOCKSA-N 0 3 336.417 1.852 20 5 EDBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000353035784 536466718 /nfs/dbraw/zinc/46/67/18/536466718.db2.gz IETWGMBJGZYZJC-UHFFFAOYSA-N 0 3 337.376 1.057 20 5 EDBDHN CCN(Cc1ccc2c(c1)OCO2)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174664871 528800985 /nfs/dbraw/zinc/80/09/85/528800985.db2.gz SLDSFRCLIMTABS-AWEZNQCLSA-N 0 3 348.359 1.403 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347746474 536347307 /nfs/dbraw/zinc/34/73/07/536347307.db2.gz WGZGTWNBJVOHEY-UHFFFAOYSA-N 0 3 338.383 1.443 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000741725597 579426207 /nfs/dbraw/zinc/42/62/07/579426207.db2.gz QBFMSFMWPPKHHK-MNOVXSKESA-N 0 3 325.340 1.712 20 5 EDBDHN COC(=O)c1cc(C(=O)NCCN2CCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000742241222 579444785 /nfs/dbraw/zinc/44/47/85/579444785.db2.gz TWUMQKWPQXRZLF-NSHDSACASA-N 0 3 335.360 1.596 20 5 EDBDHN CC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC ZINC000743259812 579474231 /nfs/dbraw/zinc/47/42/31/579474231.db2.gz NQLFTNWSXCNZDX-HIFRSBDPSA-N 0 3 334.376 1.902 20 5 EDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000734446701 578814632 /nfs/dbraw/zinc/81/46/32/578814632.db2.gz BKWOYNJXFKBJJE-LBPRGKRZSA-N 0 3 339.367 1.913 20 5 EDBDHN C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736247408 578968035 /nfs/dbraw/zinc/96/80/35/578968035.db2.gz CQHASEPGATZZNU-PHIMTYICSA-N 0 3 346.395 1.845 20 5 EDBDHN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736247408 578968036 /nfs/dbraw/zinc/96/80/36/578968036.db2.gz CQHASEPGATZZNU-PHIMTYICSA-N 0 3 346.395 1.845 20 5 EDBDHN C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736247408 578968037 /nfs/dbraw/zinc/96/80/37/578968037.db2.gz CQHASEPGATZZNU-PHIMTYICSA-N 0 3 346.395 1.845 20 5 EDBDHN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736247408 578968038 /nfs/dbraw/zinc/96/80/38/578968038.db2.gz CQHASEPGATZZNU-PHIMTYICSA-N 0 3 346.395 1.845 20 5 EDBDHN C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCC1 ZINC000736756470 579017098 /nfs/dbraw/zinc/01/70/98/579017098.db2.gz JAQTZGUCGSTACA-UHFFFAOYSA-N 0 3 332.368 1.456 20 5 EDBDHN C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCC1 ZINC000736756470 579017099 /nfs/dbraw/zinc/01/70/99/579017099.db2.gz JAQTZGUCGSTACA-UHFFFAOYSA-N 0 3 332.368 1.456 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000747230530 579634545 /nfs/dbraw/zinc/63/45/45/579634545.db2.gz TYUIFIBWXLTCIC-OLZOCXBDSA-N 0 3 344.371 1.669 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000758332477 579980128 /nfs/dbraw/zinc/98/01/28/579980128.db2.gz CAKCSXOBXDMCPM-BXUZGUMPSA-N 0 3 347.371 1.385 20 5 EDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000768862237 580222870 /nfs/dbraw/zinc/22/28/70/580222870.db2.gz JKEBDMPKDXHSNY-ZYHUDNBSSA-N 0 3 345.446 1.761 20 5 EDBDHN C[C@H](N[C@@H](CO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771815462 580295328 /nfs/dbraw/zinc/29/53/28/580295328.db2.gz VBBMSAMJLJYMJQ-SDBXPKJASA-N 0 3 327.768 1.936 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000776277422 580413723 /nfs/dbraw/zinc/41/37/23/580413723.db2.gz PCFGDYWPQGQMBX-ZBFHGGJFSA-N 0 3 343.387 1.677 20 5 EDBDHN COCCCN(C)CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892675453 591124522 /nfs/dbraw/zinc/12/45/22/591124522.db2.gz RJLVIFFVJLREDK-UHFFFAOYSA-N 0 3 348.403 1.827 20 5 EDBDHN CN(c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000892677021 591125184 /nfs/dbraw/zinc/12/51/84/591125184.db2.gz SNQXAQDUYNQDIZ-LBPRGKRZSA-N 0 3 330.388 1.977 20 5 EDBDHN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCN3C[C@H](O)C[C@H]3C2)cc1C ZINC000894430602 591310335 /nfs/dbraw/zinc/31/03/35/591310335.db2.gz ZVAWNNDNHSFTHE-QWHCGFSZSA-N 0 3 349.387 1.335 20 5 EDBDHN CC(C)Oc1nc(N2CCN(C)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000897093782 591735811 /nfs/dbraw/zinc/73/58/11/591735811.db2.gz HTZVIQUQRHOCDL-UHFFFAOYSA-N 0 3 337.424 1.461 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000902709153 592048587 /nfs/dbraw/zinc/04/85/87/592048587.db2.gz VCOIFYLVXGGQER-SMDDNHRTSA-N 0 3 334.376 1.393 20 5 EDBDHN CN1CCOC[C@]1(CO)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000903278717 592150474 /nfs/dbraw/zinc/15/04/74/592150474.db2.gz NIGLFZKQHRKNQQ-ZWKOTPCHSA-N 0 3 349.431 1.645 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)[C@@H]2C1 ZINC000908348396 592455709 /nfs/dbraw/zinc/45/57/09/592455709.db2.gz OBDLKNSIFPMEFC-BXUZGUMPSA-N 0 3 347.371 1.532 20 5 EDBDHN C[C@H](NC(=O)c1ccnn1CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000908512638 592526270 /nfs/dbraw/zinc/52/62/70/592526270.db2.gz OXSXPDAAHFBEDX-LBPRGKRZSA-N 0 3 331.376 1.844 20 5 EDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905926989 592685350 /nfs/dbraw/zinc/68/53/50/592685350.db2.gz XUOWETHHMROVGY-DLBZAZTESA-N 0 3 338.404 1.708 20 5 EDBDHN CCN(CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C1CC1 ZINC000906556385 592843912 /nfs/dbraw/zinc/84/39/12/592843912.db2.gz XWQMPSDIVMDGEJ-UHFFFAOYSA-N 0 3 349.387 1.970 20 5 EDBDHN CN1CCC[C@](O)(CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000911469105 592922012 /nfs/dbraw/zinc/92/20/12/592922012.db2.gz AJPIRSLNDRAYSC-HNNXBMFYSA-N 0 3 343.330 1.336 20 5 EDBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(C2CCOCC2)C1 ZINC000911499273 592932372 /nfs/dbraw/zinc/93/23/72/592932372.db2.gz AWXTXWSDQPPKJG-UHFFFAOYSA-N 0 3 334.376 1.686 20 5 EDBDHN CCN(CC)CCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000912578216 593106267 /nfs/dbraw/zinc/10/62/67/593106267.db2.gz REJDPTQLJCLTPV-UHFFFAOYSA-N 0 3 349.343 1.076 20 5 EDBDHN CS[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000867020291 593182293 /nfs/dbraw/zinc/18/22/93/593182293.db2.gz GXNGCKDQOWXMSP-CHWSQXEVSA-N 0 3 341.408 1.780 20 5 EDBDHN CC(=O)N[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1c(F)cccc1F ZINC000813102410 593517606 /nfs/dbraw/zinc/51/76/06/593517606.db2.gz REWNXMGZYXYALI-UFBFGSQYSA-N 0 3 330.287 1.741 20 5 EDBDHN CCS(=O)(=O)c1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105515 593517898 /nfs/dbraw/zinc/51/78/98/593517898.db2.gz NTDHMJHYLOJAFX-LLVKDONJSA-N 0 3 329.374 1.621 20 5 EDBDHN CSc1cccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c1 ZINC000813108412 593518174 /nfs/dbraw/zinc/51/81/74/593518174.db2.gz YCWVGDGUEYIUGE-QWRGUYRKSA-N 0 3 338.385 1.970 20 5 EDBDHN CC(COC(=O)c1cc2c(nc3ccccn3c2=O)n1C)[N+](=O)[O-] ZINC000813109444 593518196 /nfs/dbraw/zinc/51/81/96/593518196.db2.gz STUBRJXQLQSTPA-VIFPVBQESA-N 0 3 330.300 1.008 20 5 EDBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000813110470 593518553 /nfs/dbraw/zinc/51/85/53/593518553.db2.gz BFVZSRWGCSBSRE-ZWNOBZJWSA-N 0 3 334.328 1.516 20 5 EDBDHN CC(C)(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000814109975 593573665 /nfs/dbraw/zinc/57/36/65/593573665.db2.gz ZUEWNTNVJRJLCI-KGLIPLIRSA-N 0 3 347.415 1.852 20 5 EDBDHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000819305080 593749584 /nfs/dbraw/zinc/74/95/84/593749584.db2.gz LWPIXFHOXCKUHA-GWCFXTLKSA-N 0 3 328.390 1.184 20 5 EDBDHN CS(=O)(=O)CC1(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819376959 593752575 /nfs/dbraw/zinc/75/25/75/593752575.db2.gz LAUWUPTWGWXOFA-CQSZACIVSA-N 0 3 342.417 1.433 20 5 EDBDHN C[C@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000820658297 593856040 /nfs/dbraw/zinc/85/60/40/593856040.db2.gz RGTWOXGXNVKCAM-CMPLNLGQSA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000820658297 593856041 /nfs/dbraw/zinc/85/60/41/593856041.db2.gz RGTWOXGXNVKCAM-CMPLNLGQSA-N 0 3 331.380 1.694 20 5 EDBDHN C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821624969 593886287 /nfs/dbraw/zinc/88/62/87/593886287.db2.gz BLWNUXMRVXPZKM-ZWNOBZJWSA-N 0 3 344.379 1.090 20 5 EDBDHN C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821624969 593886289 /nfs/dbraw/zinc/88/62/89/593886289.db2.gz BLWNUXMRVXPZKM-ZWNOBZJWSA-N 0 3 344.379 1.090 20 5 EDBDHN C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821624969 593886291 /nfs/dbraw/zinc/88/62/91/593886291.db2.gz BLWNUXMRVXPZKM-ZWNOBZJWSA-N 0 3 344.379 1.090 20 5 EDBDHN C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821624969 593886292 /nfs/dbraw/zinc/88/62/92/593886292.db2.gz BLWNUXMRVXPZKM-ZWNOBZJWSA-N 0 3 344.379 1.090 20 5 EDBDHN CC[NH+](CC)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821189640 593986028 /nfs/dbraw/zinc/98/60/28/593986028.db2.gz QYCQKHPBGXHWDH-GFCCVEGCSA-N 0 3 345.407 1.943 20 5 EDBDHN CC[NH+](CC)C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821189640 593986030 /nfs/dbraw/zinc/98/60/30/593986030.db2.gz QYCQKHPBGXHWDH-GFCCVEGCSA-N 0 3 345.407 1.943 20 5 EDBDHN CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821266678 594002085 /nfs/dbraw/zinc/00/20/85/594002085.db2.gz GDIPBXKMJMNMPS-LBPRGKRZSA-N 0 3 331.380 1.695 20 5 EDBDHN CC[N@H+]1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821266678 594002088 /nfs/dbraw/zinc/00/20/88/594002088.db2.gz GDIPBXKMJMNMPS-LBPRGKRZSA-N 0 3 331.380 1.695 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000822933534 594124568 /nfs/dbraw/zinc/12/45/68/594124568.db2.gz JTEKQTQIZYDVRH-KGLIPLIRSA-N 0 3 333.388 1.493 20 5 EDBDHN O=C(NC[C@H]1CCCCN1C1CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831158895 594571905 /nfs/dbraw/zinc/57/19/05/594571905.db2.gz NHLWZXFONMCGPY-HZPDHXFCSA-N 0 3 333.388 1.761 20 5 EDBDHN CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CN(C)C ZINC000831730310 594697027 /nfs/dbraw/zinc/69/70/27/594697027.db2.gz BJJMYLSJKLBTLV-LLVKDONJSA-N 0 3 329.784 1.945 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC1(N(C)C)CC1 ZINC000842046600 595009412 /nfs/dbraw/zinc/00/94/12/595009412.db2.gz DXMUOZXMLAPMOX-UHFFFAOYSA-N 0 3 338.320 1.796 20 5 EDBDHN CN(CCN1CCCCC1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000845761437 595058724 /nfs/dbraw/zinc/05/87/24/595058724.db2.gz ORDOIGBGLBOHPH-UHFFFAOYSA-N 0 3 347.419 1.707 20 5 EDBDHN CN1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000843357575 595085980 /nfs/dbraw/zinc/08/59/80/595085980.db2.gz LCTBJPQOFCQCDK-JTQLQIEISA-N 0 3 344.774 1.031 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000843093306 595285739 /nfs/dbraw/zinc/28/57/39/595285739.db2.gz GIAAPDIDJVZXLL-WBVHZDCISA-N 0 3 334.347 1.961 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2COc3ccccc3[C@H]2O)c1 ZINC000843117600 595290937 /nfs/dbraw/zinc/29/09/37/595290937.db2.gz QZFSBENLLAPGGC-ZMSDIMECSA-N 0 3 330.340 1.712 20 5 EDBDHN CC[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C[C@H](C)N1 ZINC000856408122 595979698 /nfs/dbraw/zinc/97/96/98/595979698.db2.gz FRCVJDCYTJMLQT-OZVIIMIRSA-N 0 3 346.387 1.687 20 5 EDBDHN CN1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000854336804 596040470 /nfs/dbraw/zinc/04/04/70/596040470.db2.gz OOCSXLMRTDCZRX-UHFFFAOYSA-N 0 3 338.383 1.490 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1F ZINC000866762936 596328453 /nfs/dbraw/zinc/32/84/53/596328453.db2.gz AFMBINODMQWSSU-LLVKDONJSA-N 0 3 345.396 1.757 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865170646 596498613 /nfs/dbraw/zinc/49/86/13/596498613.db2.gz GUGFTQYGJLXKPL-ZDUSSCGKSA-N 0 3 339.367 1.503 20 5 EDBDHN CN1CCC[C@@H]2[C@H]1CCN2c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000872779059 597063600 /nfs/dbraw/zinc/06/36/00/597063600.db2.gz DKHNFKVXKNJJNB-ZIAGYGMSSA-N 0 3 329.360 1.917 20 5 EDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000874843563 597195796 /nfs/dbraw/zinc/19/57/96/597195796.db2.gz PWLNSYRKIFTWPJ-KGLIPLIRSA-N 0 3 329.360 1.780 20 5 EDBDHN COC(=O)[C@H]1CN(C)CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877587102 597539398 /nfs/dbraw/zinc/53/93/98/597539398.db2.gz DVYSFIQUROEHIS-AWEZNQCLSA-N 0 3 335.404 1.748 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877720933 597551026 /nfs/dbraw/zinc/55/10/26/597551026.db2.gz XGHKOBWLQPNLTQ-BKHYPVAUSA-N 0 3 329.356 1.545 20 5 EDBDHN Cc1cncc([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000879750794 597710741 /nfs/dbraw/zinc/71/07/41/597710741.db2.gz WDTGKRALGZVUPA-CVEARBPZSA-N 0 3 331.376 1.693 20 5 EDBDHN CN1CCC[C@H]2[C@@H]1CCN2CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880135670 597852702 /nfs/dbraw/zinc/85/27/02/597852702.db2.gz YQUFSWKKITWPOD-IRXDYDNUSA-N 0 3 344.415 1.652 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000738358083 598469154 /nfs/dbraw/zinc/46/91/54/598469154.db2.gz KSFMIOZCVJUCCC-CYBMUJFWSA-N 0 3 343.391 1.840 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738370014 598469237 /nfs/dbraw/zinc/46/92/37/598469237.db2.gz MINFWINJUNDGHW-CYBMUJFWSA-N 0 3 343.391 1.840 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738370014 598469238 /nfs/dbraw/zinc/46/92/38/598469238.db2.gz MINFWINJUNDGHW-CYBMUJFWSA-N 0 3 343.391 1.840 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)c2ccoc2)CC1 ZINC000939950119 700065176 /nfs/dbraw/zinc/06/51/76/700065176.db2.gz FSPWAAZSTXWWQS-UHFFFAOYSA-N 0 3 347.375 1.706 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000918465504 697169485 /nfs/dbraw/zinc/16/94/85/697169485.db2.gz OSZOIXGZNPLHLB-ZDUSSCGKSA-N 0 3 348.403 1.832 20 5 EDBDHN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCN1CCCCC1 ZINC000919557820 697296674 /nfs/dbraw/zinc/29/66/74/697296674.db2.gz BAPXYASYPAYZNN-UHFFFAOYSA-N 0 3 349.343 1.532 20 5 EDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2nc3c(o2)CCCC3)CC1 ZINC000996441326 702770783 /nfs/dbraw/zinc/77/07/83/702770783.db2.gz PWUGCXHYLKMEII-TZMCWYRMSA-N 0 3 348.403 1.299 20 5 EDBDHN Cc1nc(C)c(CN2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001000673673 708060810 /nfs/dbraw/zinc/06/08/10/708060810.db2.gz IUMNRMGRFGQQID-ZIAGYGMSSA-N 0 3 334.376 1.205 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)C2(C)CC2)CC1 ZINC001034653947 710328875 /nfs/dbraw/zinc/32/88/75/710328875.db2.gz SSLOLQLOKRAKGI-HAQNSBGRSA-N 0 3 335.408 1.645 20 5 EDBDHN O=[N+]([O-])c1c(NC[C@@H](O)CN2CCCCC2)nc2sccn21 ZINC000052131455 214119420 /nfs/dbraw/zinc/11/94/20/214119420.db2.gz GPWMJRZIBFSGOA-SNVBAGLBSA-N 0 3 325.394 1.563 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCN(C)CC)cc1OC ZINC000066958913 215099053 /nfs/dbraw/zinc/09/90/53/215099053.db2.gz FAKCZQHLMCTFMN-UHFFFAOYSA-N 0 3 325.365 1.684 20 5 EDBDHN C[C@H]1CCCN(CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000069006806 215352111 /nfs/dbraw/zinc/35/21/11/215352111.db2.gz JZLSTKPYPPUFKF-LBPRGKRZSA-N 0 3 339.367 1.961 20 5 EDBDHN CN(C)CCn1ccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000563399781 306331829 /nfs/dbraw/zinc/33/18/29/306331829.db2.gz UVQDYBIBRKQTOU-UHFFFAOYSA-N 0 3 345.403 1.668 20 5 EDBDHN C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCCC1 ZINC000066333658 138176746 /nfs/dbraw/zinc/17/67/46/138176746.db2.gz XFAIEJLIILGDNR-JTQLQIEISA-N 0 3 333.435 1.667 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000564802692 306365662 /nfs/dbraw/zinc/36/56/62/306365662.db2.gz LBNJHWUJTYCVRR-UHFFFAOYSA-N 0 3 329.784 1.898 20 5 EDBDHN COC(=O)[C@@H]1CN(C)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414483932 304118564 /nfs/dbraw/zinc/11/85/64/304118564.db2.gz GCSUUOQNLQJWNP-KEDPEKRHSA-N 0 3 333.388 1.645 20 5 EDBDHN COc1ccc(CN2CCC[C@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000415119962 304161133 /nfs/dbraw/zinc/16/11/33/304161133.db2.gz FOVTZQVTFYCGQE-AWEZNQCLSA-N 0 3 346.391 1.491 20 5 EDBDHN C[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237142645 139042040 /nfs/dbraw/zinc/04/20/40/139042040.db2.gz FQUPZDCICRXQIM-UHFFFAOYSA-N 0 3 327.284 1.111 20 5 EDBDHN COCCNCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000237303542 139047172 /nfs/dbraw/zinc/04/71/72/139047172.db2.gz HKVDEANZFZKYFM-NSHDSACASA-N 0 3 327.406 1.428 20 5 EDBDHN C[C@@H]1CN(C[C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000246099294 139094813 /nfs/dbraw/zinc/09/48/13/139094813.db2.gz ASHMCYWVGJUVAB-QLFBSQMISA-N 0 3 337.424 1.365 20 5 EDBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118118303 221123247 /nfs/dbraw/zinc/12/32/47/221123247.db2.gz YSELOZHXVLTMGE-LBPRGKRZSA-N 0 3 336.392 1.688 20 5 EDBDHN Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(OCCN(C)C)c1 ZINC000265624121 139491896 /nfs/dbraw/zinc/49/18/96/139491896.db2.gz KXGQXEMAKPZLQO-UHFFFAOYSA-N 0 3 347.375 1.679 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270329334 140080179 /nfs/dbraw/zinc/08/01/79/140080179.db2.gz HOMOADCSJGJQNJ-CQSZACIVSA-N 0 3 336.392 1.157 20 5 EDBDHN COc1ccc(OCCN2CCNC[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000571762951 306573990 /nfs/dbraw/zinc/57/39/90/306573990.db2.gz WHKPWVDWDNWYHC-LBPRGKRZSA-N 0 3 331.319 1.521 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000331514453 141041158 /nfs/dbraw/zinc/04/11/58/141041158.db2.gz MSEQMAAYGIAHQH-LBPRGKRZSA-N 0 3 336.392 1.529 20 5 EDBDHN Cc1c(NC(=O)CCN2C[C@@H]3[C@H](C2)OCCN3C)cccc1[N+](=O)[O-] ZINC000331884204 141093715 /nfs/dbraw/zinc/09/37/15/141093715.db2.gz FLTJVYGYTHVXID-CVEARBPZSA-N 0 3 348.403 1.247 20 5 EDBDHN CCOc1ccc(C(=O)NCCN(C)CCOC)cc1[N+](=O)[O-] ZINC000339299825 142007336 /nfs/dbraw/zinc/00/73/36/142007336.db2.gz ZJSIHOXYMFXLFS-UHFFFAOYSA-N 0 3 325.365 1.302 20 5 EDBDHN O=C(c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000345326484 143078176 /nfs/dbraw/zinc/07/81/76/143078176.db2.gz HOFRVRBYBQQEJE-UHFFFAOYSA-N 0 3 348.403 1.575 20 5 EDBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cs1 ZINC000345691619 143122075 /nfs/dbraw/zinc/12/20/75/143122075.db2.gz JGENFGMAFIXHOP-YPMHNXCESA-N 0 3 346.430 1.482 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3nnc4n3CCC4)CC2)n1 ZINC000370025455 155287282 /nfs/dbraw/zinc/28/72/82/155287282.db2.gz FGFXDOBJJHZRSJ-UHFFFAOYSA-N 0 3 331.380 1.209 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](CCO)C1 ZINC000357824421 151162967 /nfs/dbraw/zinc/16/29/67/151162967.db2.gz CKPNGFOFQCKWOA-GFCCVEGCSA-N 0 3 335.360 1.597 20 5 EDBDHN Cc1nn(C)c(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)c1[N+](=O)[O-] ZINC000357948329 151207193 /nfs/dbraw/zinc/20/71/93/151207193.db2.gz MLTHVMWVTAXQQO-NXEZZACHSA-N 0 3 345.363 1.542 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC000357974051 151217786 /nfs/dbraw/zinc/21/77/86/151217786.db2.gz LSCZVPQXMVIIDP-GXTWGEPZSA-N 0 3 348.403 1.982 20 5 EDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)CN1CCN(CC)CC1 ZINC000360958723 152264487 /nfs/dbraw/zinc/26/44/87/152264487.db2.gz DGGSUCUFOHCNMP-CYBMUJFWSA-N 0 3 338.456 1.805 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000361141451 152318391 /nfs/dbraw/zinc/31/83/91/152318391.db2.gz IKQZKPLOYHMSEO-UHFFFAOYSA-N 0 3 349.435 1.394 20 5 EDBDHN COCCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000363635443 153019019 /nfs/dbraw/zinc/01/90/19/153019019.db2.gz WUHRLLTXZCVOSR-UHFFFAOYSA-N 0 3 339.367 1.918 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CCCCNC1=O ZINC000364114506 153148230 /nfs/dbraw/zinc/14/82/30/153148230.db2.gz LOSSBBGEWZUCDM-OAHLLOKOSA-N 0 3 348.403 1.832 20 5 EDBDHN CC(C)(O)CN1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364599757 153283385 /nfs/dbraw/zinc/28/33/85/153283385.db2.gz ANHINSBLKVZXPS-CMDGGOBGSA-N 0 3 347.415 1.913 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](CN3CCN(C)CC3)C2)n1 ZINC000366223261 292286486 /nfs/dbraw/zinc/28/64/86/292286486.db2.gz RRGTWOWGKZAWDD-OAHLLOKOSA-N 0 3 333.436 1.762 20 5 EDBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000367557724 154175240 /nfs/dbraw/zinc/17/52/40/154175240.db2.gz SSUWJUWOAKVVBG-AWEZNQCLSA-N 0 3 343.387 1.675 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000367824305 154285673 /nfs/dbraw/zinc/28/56/73/154285673.db2.gz QPEXLTWLPXEOGB-CYBMUJFWSA-N 0 3 341.389 1.024 20 5 EDBDHN C[C@@H](CO)N1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000367827799 154288097 /nfs/dbraw/zinc/28/80/97/154288097.db2.gz YJZMCRVCBKRSRZ-JTQLQIEISA-N 0 3 337.405 1.492 20 5 EDBDHN Cc1c(CC(=O)N2CCCN(CCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000372178864 156258306 /nfs/dbraw/zinc/25/83/06/156258306.db2.gz BTGVKAVKMWSZPI-UHFFFAOYSA-N 0 3 348.447 1.542 20 5 EDBDHN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cnc2c(c1)CNCC2 ZINC000378396612 158163750 /nfs/dbraw/zinc/16/37/50/158163750.db2.gz OUXDGVNELSOYID-UHFFFAOYSA-N 0 3 328.328 1.653 20 5 EDBDHN Cc1c(NC(=O)CCN(C)CCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000112703659 287341397 /nfs/dbraw/zinc/34/13/97/287341397.db2.gz SUKQOUNUNDVWAF-UHFFFAOYSA-N 0 3 348.403 1.786 20 5 EDBDHN COCCO[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275553547 268359649 /nfs/dbraw/zinc/35/96/49/268359649.db2.gz NBQPUSTUXITXGD-GDBMZVCRSA-N 0 3 340.376 1.072 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(O)CCN(C)CC1 ZINC000273466407 273041718 /nfs/dbraw/zinc/04/17/18/273041718.db2.gz WTTJHYLQXWYFMC-ACCUITESSA-N 0 3 333.388 1.571 20 5 EDBDHN COCCO[C@@H]1C[C@@H](CO)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000278016704 273240972 /nfs/dbraw/zinc/24/09/72/273240972.db2.gz ADUCATSZFAOLFW-NVXWUHKLSA-N 0 3 338.404 1.483 20 5 EDBDHN C[C@H](O)C[C@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279761100 273324463 /nfs/dbraw/zinc/32/44/63/273324463.db2.gz MEUVLQPUYLSRGQ-LZWOXQAQSA-N 0 3 338.404 1.960 20 5 EDBDHN CN(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H]1O ZINC000359952391 273811101 /nfs/dbraw/zinc/81/11/01/273811101.db2.gz LZWTVPMMDSZMCO-HUUCEWRRSA-N 0 3 328.372 1.768 20 5 EDBDHN CN1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2C1 ZINC000284462746 274210981 /nfs/dbraw/zinc/21/09/81/274210981.db2.gz AOHMWNSZYQUFME-JKSUJKDBSA-N 0 3 349.387 1.366 20 5 EDBDHN CN1CCN(C[C@@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000376184961 276927498 /nfs/dbraw/zinc/92/74/98/276927498.db2.gz DBANMYXJQMCAAS-AWEZNQCLSA-N 0 3 333.436 1.641 20 5 EDBDHN CCCC[C@@H](CN)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419762078 304681485 /nfs/dbraw/zinc/68/14/85/304681485.db2.gz RHXDWTLKJHAMEL-ZDUSSCGKSA-N 0 3 336.392 1.153 20 5 EDBDHN Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375089105 301098354 /nfs/dbraw/zinc/09/83/54/301098354.db2.gz HQVCGZRBORYBKI-LBPRGKRZSA-N 0 3 334.376 1.704 20 5 EDBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420432899 304757606 /nfs/dbraw/zinc/75/76/06/304757606.db2.gz BZPSTPUDYMCDGL-QMMMGPOBSA-N 0 3 341.311 1.629 20 5 EDBDHN CCc1n[nH]c(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293666478 303000548 /nfs/dbraw/zinc/00/05/48/303000548.db2.gz JVNNMCXOSCQQRI-NSHDSACASA-N 0 3 335.408 1.827 20 5 EDBDHN CCc1[nH]nc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293666478 303000549 /nfs/dbraw/zinc/00/05/49/303000549.db2.gz JVNNMCXOSCQQRI-NSHDSACASA-N 0 3 335.408 1.827 20 5 EDBDHN CN(CC(=O)N1CC[C@]2(C1)CCCN(C)C2)c1ccccc1[N+](=O)[O-] ZINC000294157779 303070705 /nfs/dbraw/zinc/07/07/05/303070705.db2.gz NWTZWTJMTWJYEW-GOSISDBHSA-N 0 3 346.431 1.975 20 5 EDBDHN C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295484463 303225466 /nfs/dbraw/zinc/22/54/66/303225466.db2.gz ZIKUIABDVBDMOF-CQSZACIVSA-N 0 3 346.431 1.974 20 5 EDBDHN CS[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000330644126 303771844 /nfs/dbraw/zinc/77/18/44/303771844.db2.gz FIWNCTLVBHMLGP-RYUDHWBXSA-N 0 3 341.437 1.030 20 5 EDBDHN CN(C)[C@@H]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000428679924 305014464 /nfs/dbraw/zinc/01/44/64/305014464.db2.gz LZPSFIFJSZSUAZ-GFCCVEGCSA-N 0 3 341.433 1.919 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CC(F)F ZINC000429463982 305030306 /nfs/dbraw/zinc/03/03/06/305030306.db2.gz UYLHBJGEZLWKCI-MWLCHTKSSA-N 0 3 331.319 1.918 20 5 EDBDHN O=C1[C@H](N[C@@H]2CCC[C@@H]2CCO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429772783 305036866 /nfs/dbraw/zinc/03/68/66/305036866.db2.gz YAABBECFZOAQBP-DAXOMENPSA-N 0 3 333.388 1.841 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](n3cnc4c3CCCC4)C2)n1 ZINC000432077559 305086819 /nfs/dbraw/zinc/08/68/19/305086819.db2.gz JOUDQFOQLQAYGJ-CYBMUJFWSA-N 0 3 330.392 1.814 20 5 EDBDHN O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000440506146 305208526 /nfs/dbraw/zinc/20/85/26/305208526.db2.gz DEFPRRHHXWAYCI-QGZVFWFLSA-N 0 3 344.371 1.290 20 5 EDBDHN O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000440506146 305208527 /nfs/dbraw/zinc/20/85/27/305208527.db2.gz DEFPRRHHXWAYCI-QGZVFWFLSA-N 0 3 344.371 1.290 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000440766807 305212508 /nfs/dbraw/zinc/21/25/08/305212508.db2.gz ZDEBZNOGEBSELY-QWHCGFSZSA-N 0 3 341.433 1.878 20 5 EDBDHN CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CCN(C)CC1 ZINC000448553558 305298183 /nfs/dbraw/zinc/29/81/83/305298183.db2.gz CHQOOHFXJVAZAQ-UHFFFAOYSA-N 0 3 343.387 1.947 20 5 EDBDHN CC(C)NS(=O)(=O)CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449133508 305307330 /nfs/dbraw/zinc/30/73/30/305307330.db2.gz YSCQOEJEXCXXIW-LBPRGKRZSA-N 0 3 329.422 1.443 20 5 EDBDHN CNc1c(C(=O)NC[C@@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000452372091 305394383 /nfs/dbraw/zinc/39/43/83/305394383.db2.gz UOTFMUNAXZVDRC-LBPRGKRZSA-N 0 3 336.392 1.213 20 5 EDBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)Cn3ccnn3)o2)cc1 ZINC000459686909 305523105 /nfs/dbraw/zinc/52/31/05/305523105.db2.gz BEOVKTPXWAZJIX-CQSZACIVSA-N 0 3 343.343 1.597 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)cc1C ZINC000104747744 441203593 /nfs/dbraw/zinc/20/35/93/441203593.db2.gz XHMGZCGHHRAKOB-CYBMUJFWSA-N 0 3 341.433 1.784 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000104748250 441204342 /nfs/dbraw/zinc/20/43/42/441204342.db2.gz GXAAMUOJSLWDCW-LLVKDONJSA-N 0 3 343.405 1.176 20 5 EDBDHN COCCN(C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000061379507 441270923 /nfs/dbraw/zinc/27/09/23/441270923.db2.gz ASNRGTMKRXDIRW-UHFFFAOYSA-N 0 3 333.186 1.742 20 5 EDBDHN CC(=O)N1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026339920 441375388 /nfs/dbraw/zinc/37/53/88/441375388.db2.gz LOVSNRLEMDYXFZ-UHFFFAOYSA-N 0 3 334.376 1.478 20 5 EDBDHN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@@H](N2CCCC2)C1 ZINC000066660202 441558752 /nfs/dbraw/zinc/55/87/52/441558752.db2.gz FHWWPPSCPRJRKY-GFCCVEGCSA-N 0 3 347.371 1.676 20 5 EDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000090015461 441614311 /nfs/dbraw/zinc/61/43/11/441614311.db2.gz JSXSMFUFKMGYJJ-NSHDSACASA-N 0 3 327.406 1.651 20 5 EDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121668604 441754628 /nfs/dbraw/zinc/75/46/28/441754628.db2.gz MVGMDLDLWBEJJB-UHFFFAOYSA-N 0 3 327.406 1.451 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000173651315 441815237 /nfs/dbraw/zinc/81/52/37/441815237.db2.gz RHWUOOZDESOWNV-UHFFFAOYSA-N 0 3 334.420 1.613 20 5 EDBDHN O=C(C[C@H]1CNCCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160918485 441935423 /nfs/dbraw/zinc/93/54/23/441935423.db2.gz IBCFMSOMZGUXAC-INIZCTEOSA-N 0 3 349.387 1.343 20 5 EDBDHN [NH3+][C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125109094 441984492 /nfs/dbraw/zinc/98/44/92/441984492.db2.gz XTJJDFKXPCEQSD-BDAKNGLRSA-N 0 3 333.797 1.796 20 5 EDBDHN O=C(CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1)N1CCCC1 ZINC000176210008 442191437 /nfs/dbraw/zinc/19/14/37/442191437.db2.gz KWPNYKIXMALQDZ-UHFFFAOYSA-N 0 3 335.408 1.516 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000153828251 442305616 /nfs/dbraw/zinc/30/56/16/442305616.db2.gz SRYWBVLPGBBUDO-OAHLLOKOSA-N 0 3 348.447 1.670 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(C2CCCC2)CC1 ZINC000172414369 442457548 /nfs/dbraw/zinc/45/75/48/442457548.db2.gz QUIMMLHKJUHEAE-UHFFFAOYSA-N 0 3 335.408 1.577 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CCCO)c2ccccc2)c1 ZINC000179760731 442498981 /nfs/dbraw/zinc/49/89/81/442498981.db2.gz IPSVDIKNORQTHC-CVEARBPZSA-N 0 3 334.376 1.256 20 5 EDBDHN NC(=O)C1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000182198367 442744446 /nfs/dbraw/zinc/74/44/46/442744446.db2.gz RPPCKOHQAOKEAQ-LBPRGKRZSA-N 0 3 337.376 1.112 20 5 EDBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000182322761 442757149 /nfs/dbraw/zinc/75/71/49/442757149.db2.gz QNWNCIGIKWWANN-LSDHHAIUSA-N 0 3 342.417 1.916 20 5 EDBDHN Cc1nn(CCC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000268191140 442891600 /nfs/dbraw/zinc/89/16/00/442891600.db2.gz HSCLEPPPVSXKQM-IINYFYTJSA-N 0 3 335.408 1.397 20 5 EDBDHN COC[C@@H](CCO)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000265762260 442911959 /nfs/dbraw/zinc/91/19/59/442911959.db2.gz KHJGJRDYPQJXMY-CQSZACIVSA-N 0 3 334.376 1.482 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000268278861 442928596 /nfs/dbraw/zinc/92/85/96/442928596.db2.gz VDRAJCVMNQGBBR-SMDDNHRTSA-N 0 3 341.433 1.728 20 5 EDBDHN COc1cc(C(=O)N2CCC[C@H](N(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265930391 442972752 /nfs/dbraw/zinc/97/27/52/442972752.db2.gz FVWRBLBHMWILEU-LBPRGKRZSA-N 0 3 337.376 1.778 20 5 EDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000184295112 443008978 /nfs/dbraw/zinc/00/89/78/443008978.db2.gz UYHUFJJJICWFPH-LBPRGKRZSA-N 0 3 333.392 1.663 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184494915 443028893 /nfs/dbraw/zinc/02/88/93/443028893.db2.gz LMWNVZBWHCBPAH-CYBMUJFWSA-N 0 3 341.433 1.698 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255440370 443099125 /nfs/dbraw/zinc/09/91/25/443099125.db2.gz KRKXXQKAUKNKFM-AJHXJQRKSA-N 0 3 346.431 1.750 20 5 EDBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1OCCc2ccccc21 ZINC000266553913 443167181 /nfs/dbraw/zinc/16/71/81/443167181.db2.gz VAXLJIMLVBTCHF-NVXWUHKLSA-N 0 3 346.387 1.398 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C2CCCC2)CC1 ZINC000299495399 318908190 /nfs/dbraw/zinc/90/81/90/318908190.db2.gz JNIZQVCVPDDWQB-UHFFFAOYSA-N 0 3 335.408 1.577 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000185546430 443216965 /nfs/dbraw/zinc/21/69/65/443216965.db2.gz VORHKIZNKMYBJW-CQSZACIVSA-N 0 3 349.435 1.420 20 5 EDBDHN COc1cc(CNC[C@@H]2CCNCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000415011039 319345508 /nfs/dbraw/zinc/34/55/08/319345508.db2.gz VSDYLUMNZQUCJV-NSHDSACASA-N 0 3 345.346 1.946 20 5 EDBDHN CCc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000266960141 443304370 /nfs/dbraw/zinc/30/43/70/443304370.db2.gz UCYZJLCCNXIYDH-UHFFFAOYSA-N 0 3 335.404 1.734 20 5 EDBDHN CCN1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000267000259 443311178 /nfs/dbraw/zinc/31/11/78/443311178.db2.gz CNBWUSNDVNFZOH-MRXNPFEDSA-N 0 3 336.411 1.946 20 5 EDBDHN CCc1n[nH]c(C(=O)NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267109242 443344729 /nfs/dbraw/zinc/34/47/29/443344729.db2.gz MYQVETFDGPPBTJ-ZDUSSCGKSA-N 0 3 327.410 1.047 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000264610386 443346769 /nfs/dbraw/zinc/34/67/69/443346769.db2.gz JGPWVLQLWPDSHG-ZDUSSCGKSA-N 0 3 327.406 1.618 20 5 EDBDHN C[C@H](N[C@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282750593 443423913 /nfs/dbraw/zinc/42/39/13/443423913.db2.gz KDMUQDVEANNCDZ-FZMZJTMJSA-N 0 3 346.387 1.713 20 5 EDBDHN CN(CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000264814251 443436931 /nfs/dbraw/zinc/43/69/31/443436931.db2.gz GRXCJVVAWKWIMX-UHFFFAOYSA-N 0 3 347.419 1.521 20 5 EDBDHN CS[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270967747 443485238 /nfs/dbraw/zinc/48/52/38/443485238.db2.gz BHHWYQCXLHXHTK-UWVGGRQHSA-N 0 3 341.437 1.559 20 5 EDBDHN CS[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270967747 443485241 /nfs/dbraw/zinc/48/52/41/443485241.db2.gz BHHWYQCXLHXHTK-UWVGGRQHSA-N 0 3 341.437 1.559 20 5 EDBDHN C[C@@H](Cn1cccn1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272941649 443496034 /nfs/dbraw/zinc/49/60/34/443496034.db2.gz NOPZBYGLKDYKLZ-LBPRGKRZSA-N 0 3 338.389 1.243 20 5 EDBDHN CC[C@H](O)[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265185915 443562780 /nfs/dbraw/zinc/56/27/80/443562780.db2.gz HNHHCBYPLYBDTO-OIISXLGYSA-N 0 3 338.404 1.960 20 5 EDBDHN O=c1[nH]c(NC[C@H](O)CN2CCCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000283536909 443656674 /nfs/dbraw/zinc/65/66/74/443656674.db2.gz LLTBVAFGQBMQSF-LBPRGKRZSA-N 0 3 347.375 1.502 20 5 EDBDHN Cc1c(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000276177782 443662625 /nfs/dbraw/zinc/66/26/25/443662625.db2.gz SXEUKPFGXCKZSG-GFCCVEGCSA-N 0 3 346.387 1.608 20 5 EDBDHN CC1(C)CCCN1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454067367 320281479 /nfs/dbraw/zinc/28/14/79/320281479.db2.gz JOIZNQIEJWLTAP-UHFFFAOYSA-N 0 3 334.376 1.524 20 5 EDBDHN C[C@H](N[C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283877564 443752324 /nfs/dbraw/zinc/75/23/24/443752324.db2.gz FIDINCFBLXPYNC-NVBFEUDRSA-N 0 3 325.409 1.986 20 5 EDBDHN O=C(NCCCN1CCc2ccccc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285179284 443885871 /nfs/dbraw/zinc/88/58/71/443885871.db2.gz NVMVRXPYWLGZAO-UHFFFAOYSA-N 0 3 329.360 1.496 20 5 EDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCN2CCC[C@@H]2C1 ZINC000299398108 444037528 /nfs/dbraw/zinc/03/75/28/444037528.db2.gz JQDPVOIQKHOGSD-OAHLLOKOSA-N 0 3 328.372 1.856 20 5 EDBDHN CCOc1cc(CN2CCN(C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281941895 444045079 /nfs/dbraw/zinc/04/50/79/444045079.db2.gz FAXHOKQFVPURGS-ZIAGYGMSSA-N 0 3 337.420 1.880 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000293643325 444077859 /nfs/dbraw/zinc/07/78/59/444077859.db2.gz JYHQMUCALMSYHS-CZUORRHYSA-N 0 3 335.404 1.441 20 5 EDBDHN CN1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)C1 ZINC000294090320 444101577 /nfs/dbraw/zinc/10/15/77/444101577.db2.gz KDBOZUCBWCEFRV-INIZCTEOSA-N 0 3 336.367 1.874 20 5 EDBDHN CC[C@H](C)[C@H](O)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570515417 321344162 /nfs/dbraw/zinc/34/41/62/321344162.db2.gz HGLWWXVANJRHAW-SMDDNHRTSA-N 0 3 330.406 1.365 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(OCC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000573323069 321448633 /nfs/dbraw/zinc/44/86/33/321448633.db2.gz UPZUUEGLINZDOQ-UHFFFAOYSA-N 0 3 349.387 1.725 20 5 EDBDHN Cc1c(CC(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000285989918 444170207 /nfs/dbraw/zinc/17/02/07/444170207.db2.gz YIFIHLKXJBZYAB-HOTGVXAUSA-N 0 3 333.388 1.377 20 5 EDBDHN CC(C)N1CC[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302139590 444205782 /nfs/dbraw/zinc/20/57/82/444205782.db2.gz OGOWVYSMMGLIQO-JTQLQIEISA-N 0 3 328.394 1.137 20 5 EDBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000289773828 444201647 /nfs/dbraw/zinc/20/16/47/444201647.db2.gz ZYQPAEQXZHSIBP-CYBMUJFWSA-N 0 3 343.449 1.785 20 5 EDBDHN C[C@@]1(C[C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000289985362 444227205 /nfs/dbraw/zinc/22/72/05/444227205.db2.gz ZYBBTGRRRNZLEK-BBRMVZONSA-N 0 3 332.360 1.547 20 5 EDBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290623090 444302789 /nfs/dbraw/zinc/30/27/89/444302789.db2.gz LQUUDTWBAUJMCM-GRYCIOLGSA-N 0 3 335.408 1.867 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)[C@@H]2CN3CCN2CCC3)cc1[N+](=O)[O-] ZINC000343776730 444583928 /nfs/dbraw/zinc/58/39/28/444583928.db2.gz GFMWFIYZCGJWCX-BBRMVZONSA-N 0 3 332.404 1.470 20 5 EDBDHN CCc1nn(C)c(NCc2ccncc2OCCN(C)C)c1[N+](=O)[O-] ZINC000341053029 444653865 /nfs/dbraw/zinc/65/38/65/444653865.db2.gz PSVURIADGVXSOA-UHFFFAOYSA-N 0 3 348.407 1.838 20 5 EDBDHN CN(C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330731209 445116033 /nfs/dbraw/zinc/11/60/33/445116033.db2.gz QGUCUEQQPPMRQR-UHFFFAOYSA-N 0 3 327.406 1.839 20 5 EDBDHN Cc1nn(C)c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346174326 445207268 /nfs/dbraw/zinc/20/72/68/445207268.db2.gz YDVPZCLERFKSHE-NQBHXWOUSA-N 0 3 335.408 1.439 20 5 EDBDHN C[C@H]1[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCN1C ZINC000343483373 445231596 /nfs/dbraw/zinc/23/15/96/445231596.db2.gz DRFZTRLVBUGIHE-GXTWGEPZSA-N 0 3 343.387 1.993 20 5 EDBDHN C[C@H]1[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCCN1C ZINC000343533284 445239673 /nfs/dbraw/zinc/23/96/73/445239673.db2.gz WPPJUAVMSVRUSZ-WCQYABFASA-N 0 3 344.375 1.388 20 5 EDBDHN COC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000359668735 445366042 /nfs/dbraw/zinc/36/60/42/445366042.db2.gz CRFSPFZJYFDXQJ-UHFFFAOYSA-N 0 3 342.417 1.917 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000352125638 445509362 /nfs/dbraw/zinc/50/93/62/445509362.db2.gz KAIDGHSGYSPCQS-AWEZNQCLSA-N 0 3 329.784 1.681 20 5 EDBDHN Cn1cc(C[C@@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cn1 ZINC000363134500 445690584 /nfs/dbraw/zinc/69/05/84/445690584.db2.gz HXRJRNJVNYYJBW-LBPRGKRZSA-N 0 3 343.387 1.492 20 5 EDBDHN COc1cc(OCC(=O)N(CCN(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000356269777 445709630 /nfs/dbraw/zinc/70/96/30/445709630.db2.gz AULJBDJIACFKOM-UHFFFAOYSA-N 0 3 337.376 1.535 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000353756110 445740750 /nfs/dbraw/zinc/74/07/50/445740750.db2.gz FLCCTQIMXRGNCE-ZDUSSCGKSA-N 0 3 349.387 1.473 20 5 EDBDHN COC(=O)COc1ccc(CNCCn2cccn2)cc1[N+](=O)[O-] ZINC000353766699 445745436 /nfs/dbraw/zinc/74/54/36/445745436.db2.gz KVJMPOFDHONMQW-UHFFFAOYSA-N 0 3 334.332 1.133 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000353779730 445751563 /nfs/dbraw/zinc/75/15/63/445751563.db2.gz PAJACIPSFOVJQH-JSGCOSHPSA-N 0 3 338.360 1.397 20 5 EDBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356469636 445808404 /nfs/dbraw/zinc/80/84/04/445808404.db2.gz UZNXDBBYKSEBFZ-TZMCWYRMSA-N 0 3 343.387 1.894 20 5 EDBDHN CN1CCC[C@H](N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000363663920 445866345 /nfs/dbraw/zinc/86/63/45/445866345.db2.gz VKBBADWLDBXWJU-INIZCTEOSA-N 0 3 346.431 1.376 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000369067972 445907698 /nfs/dbraw/zinc/90/76/98/445907698.db2.gz WPHHOJRQENBGJK-SNVBAGLBSA-N 0 3 347.824 1.977 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000369352089 446094090 /nfs/dbraw/zinc/09/40/90/446094090.db2.gz BZCVEAKDLYWFCO-CYBMUJFWSA-N 0 3 339.417 1.762 20 5 EDBDHN CCO[C@H]1COCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000362024277 446160934 /nfs/dbraw/zinc/16/09/34/446160934.db2.gz JJFTZCMWIXKHQZ-CABCVRRESA-N 0 3 337.376 1.341 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2n[nH]nc2C1 ZINC000351593702 446189198 /nfs/dbraw/zinc/18/91/98/446189198.db2.gz FFJWRPTWPVQJMZ-UHFFFAOYSA-N 0 3 330.348 1.408 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000370453079 446285248 /nfs/dbraw/zinc/28/52/48/446285248.db2.gz PTUAFYNNVHQLTF-QWHCGFSZSA-N 0 3 335.360 1.196 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC(CCN2CCOCC2)CC1 ZINC000376229151 446391126 /nfs/dbraw/zinc/39/11/26/446391126.db2.gz WVILCJQUSJKCMO-UHFFFAOYSA-N 0 3 337.424 1.263 20 5 EDBDHN CCOC(=O)c1ccnc(N2CC[C@@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000375049781 446544911 /nfs/dbraw/zinc/54/49/11/446544911.db2.gz OVDSNZLWSPBKDR-AAEUAGOBSA-N 0 3 334.376 1.697 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CNCCC1(F)F ZINC000420437439 446612570 /nfs/dbraw/zinc/61/25/70/446612570.db2.gz CMGCYJXTHLTZEM-NSHDSACASA-N 0 3 335.332 1.179 20 5 EDBDHN CCCC[C@@H](CN)NC(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419148270 446962919 /nfs/dbraw/zinc/96/29/19/446962919.db2.gz KEJRNEJYHKFYKO-RYUDHWBXSA-N 0 3 336.392 1.406 20 5 EDBDHN COc1ccc(NC(=O)CN(C)C[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000421016638 446988628 /nfs/dbraw/zinc/98/86/28/446988628.db2.gz YNQZRLOVFTYAHN-GFCCVEGCSA-N 0 3 336.392 1.568 20 5 EDBDHN O=C(NC[C@H]1CCCN1CCCO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455330093 447109627 /nfs/dbraw/zinc/10/96/27/447109627.db2.gz JVNAQARNYLZDHL-CYBMUJFWSA-N 0 3 340.355 1.702 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)C2(CC2)C1 ZINC000368793726 447111234 /nfs/dbraw/zinc/11/12/34/447111234.db2.gz ZIBNYDWNAVOYGV-CQSZACIVSA-N 0 3 335.360 1.389 20 5 EDBDHN CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(C)C ZINC000444163218 447083962 /nfs/dbraw/zinc/08/39/62/447083962.db2.gz CPDLEXHOZMMVOG-UHFFFAOYSA-N 0 3 329.422 1.912 20 5 EDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000368855354 447161997 /nfs/dbraw/zinc/16/19/97/447161997.db2.gz JWSDTMYVWLLUJZ-CQSZACIVSA-N 0 3 339.417 1.595 20 5 EDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425543724 447221557 /nfs/dbraw/zinc/22/15/57/447221557.db2.gz IEBFEPXTFBMEGO-MNOVXSKESA-N 0 3 330.348 1.529 20 5 EDBDHN Cc1cc(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000416558435 447648170 /nfs/dbraw/zinc/64/81/70/447648170.db2.gz OYBUYSHTRPOMIQ-ZDUSSCGKSA-N 0 3 341.433 1.913 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)NC(C)(C)CN(C)C)c1[N+](=O)[O-] ZINC000416512012 447631958 /nfs/dbraw/zinc/63/19/58/447631958.db2.gz ZZWHIMJIQDIKBH-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000479771944 447824546 /nfs/dbraw/zinc/82/45/46/447824546.db2.gz NVMIXWAWLZGVQQ-LJGSYFOKSA-N 0 3 339.295 1.382 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000524720472 447942917 /nfs/dbraw/zinc/94/29/17/447942917.db2.gz SEQIBCDMLUENLJ-GFCCVEGCSA-N 0 3 349.387 1.367 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NCCN2CC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000524719438 447943359 /nfs/dbraw/zinc/94/33/59/447943359.db2.gz PBQZEQDHEZBYQU-LBPRGKRZSA-N 0 3 349.387 1.843 20 5 EDBDHN CNc1nccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000569986711 447931037 /nfs/dbraw/zinc/93/10/37/447931037.db2.gz FOOOFGWWNIYINE-RYUDHWBXSA-N 0 3 333.392 1.730 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000525805591 448027847 /nfs/dbraw/zinc/02/78/47/448027847.db2.gz SXVOLLRXSMMFSH-GFCCVEGCSA-N 0 3 344.375 1.247 20 5 EDBDHN CN(C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000531633906 448120527 /nfs/dbraw/zinc/12/05/27/448120527.db2.gz RMFNEMAPHICZTK-UHFFFAOYSA-N 0 3 344.371 1.860 20 5 EDBDHN CS(=O)(=O)N1CCC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577648810 448351505 /nfs/dbraw/zinc/35/15/05/448351505.db2.gz KLGFAIUFJJWZFX-RISCZKNCSA-N 0 3 339.417 1.596 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CNCCC1(F)F ZINC000591672937 448441620 /nfs/dbraw/zinc/44/16/20/448441620.db2.gz XLHUPCXAVLVIRB-NSHDSACASA-N 0 3 329.303 1.464 20 5 EDBDHN CC(C)(CNCCC(=O)Nc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000591749797 448479875 /nfs/dbraw/zinc/47/98/75/448479875.db2.gz QVPWZAWJTOVCSR-UHFFFAOYSA-N 0 3 343.405 1.336 20 5 EDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCOCCN(C)C ZINC000566541972 448501680 /nfs/dbraw/zinc/50/16/80/448501680.db2.gz ZNUNAPBSTRDCHS-UHFFFAOYSA-N 0 3 329.784 1.865 20 5 EDBDHN CNc1nccc(C(=O)NC[C@@H]2CCCCN2CC(C)C)c1[N+](=O)[O-] ZINC000578377061 448531253 /nfs/dbraw/zinc/53/12/53/448531253.db2.gz FHSSAOFVSGJYPY-ZDUSSCGKSA-N 0 3 349.435 2.272 20 5 EDBDHN COc1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000584715229 448604827 /nfs/dbraw/zinc/60/48/27/448604827.db2.gz MQKVIGXFOCUJFN-CYBMUJFWSA-N 0 3 333.344 1.528 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2-n2ccnc2)c1 ZINC000579103336 448714738 /nfs/dbraw/zinc/71/47/38/448714738.db2.gz IWSCRHWSIUVOBP-OAHLLOKOSA-N 0 3 342.359 1.128 20 5 EDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CNCCC1(F)F ZINC000592483052 448855599 /nfs/dbraw/zinc/85/55/99/448855599.db2.gz UYLHSRXUXDVQDU-GFCCVEGCSA-N 0 3 328.319 1.368 20 5 EDBDHN Nc1cc(NC2CCN([C@@H]3CCOC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588002774 448854540 /nfs/dbraw/zinc/85/45/40/448854540.db2.gz JSJNBSDLINGKLM-CQSZACIVSA-N 0 3 336.392 1.335 20 5 EDBDHN COCc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000521862917 449020050 /nfs/dbraw/zinc/02/00/50/449020050.db2.gz NIFHBQHSIMITEF-AWEZNQCLSA-N 0 3 338.339 1.228 20 5 EDBDHN CN(C)CCc1ccccc1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000582310512 449064418 /nfs/dbraw/zinc/06/44/18/449064418.db2.gz KXFKGQYIOUNIBU-UHFFFAOYSA-N 0 3 329.360 1.928 20 5 EDBDHN CN1C[C@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590012470 449096764 /nfs/dbraw/zinc/09/67/64/449096764.db2.gz SRYWOJKQQUANOJ-QMTHXVAHSA-N 0 3 338.795 1.823 20 5 EDBDHN CN1C[C@H]2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@@H]2C1 ZINC000590012823 449098653 /nfs/dbraw/zinc/09/86/53/449098653.db2.gz ZFOHESSJZRIQOC-TZMCWYRMSA-N 0 3 329.360 1.781 20 5 EDBDHN C[C@H](C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599938070 449116795 /nfs/dbraw/zinc/11/67/95/449116795.db2.gz LPZKQLFRYTWTAS-APHBMKBZSA-N 0 3 333.388 1.366 20 5 EDBDHN CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCN(C)C1 ZINC000597945001 449154317 /nfs/dbraw/zinc/15/43/17/449154317.db2.gz GFHZMABDWBFIKL-HNNXBMFYSA-N 0 3 343.387 1.947 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590446446 449167247 /nfs/dbraw/zinc/16/72/47/449167247.db2.gz TZJDZZMEVKLMLZ-CJNGLKHVSA-N 0 3 332.404 1.949 20 5 EDBDHN CN1C[C@@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590446456 449167315 /nfs/dbraw/zinc/16/73/15/449167315.db2.gz TZJDZZMEVKLMLZ-XJKSGUPXSA-N 0 3 332.404 1.949 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000595738363 449140380 /nfs/dbraw/zinc/14/03/80/449140380.db2.gz RECXDVAUYYKSTP-KFWWJZLASA-N 0 3 336.392 1.845 20 5 EDBDHN COc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000590587983 449204239 /nfs/dbraw/zinc/20/42/39/449204239.db2.gz DMHYAWFXCIVPCB-ZYHUDNBSSA-N 0 3 343.405 1.317 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000590590464 449206723 /nfs/dbraw/zinc/20/67/23/449206723.db2.gz XMLNVKRISPAQOC-GXTWGEPZSA-N 0 3 341.433 1.925 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000593337763 449231367 /nfs/dbraw/zinc/23/13/67/449231367.db2.gz RUHXEZQYZAZOHF-KRWDZBQOSA-N 0 3 343.387 1.723 20 5 EDBDHN O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1(NC2CC2)CCC1 ZINC000595942539 449269426 /nfs/dbraw/zinc/26/94/26/449269426.db2.gz JULIXXWACQQZMP-UHFFFAOYSA-N 0 3 344.415 1.918 20 5 EDBDHN CN(C)CCOC1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596122740 449374218 /nfs/dbraw/zinc/37/42/18/449374218.db2.gz CFSXKEKBPCCXQW-UHFFFAOYSA-N 0 3 336.392 1.241 20 5 EDBDHN NC[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000594523947 449560967 /nfs/dbraw/zinc/56/09/67/449560967.db2.gz FOIARHRPCMDZRS-NSHDSACASA-N 0 3 348.281 1.257 20 5 EDBDHN Cn1cc(CNCCN2CC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599020030 449700229 /nfs/dbraw/zinc/70/02/29/449700229.db2.gz VTAFDBIVLNUWEQ-INIZCTEOSA-N 0 3 345.403 1.152 20 5 EDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594775267 449687988 /nfs/dbraw/zinc/68/79/88/449687988.db2.gz JDIWJMXDSDXFDP-RYUDHWBXSA-N 0 3 340.405 1.095 20 5 EDBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594775266 449688312 /nfs/dbraw/zinc/68/83/12/449688312.db2.gz JDIWJMXDSDXFDP-NWDGAFQWSA-N 0 3 340.405 1.095 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C23CCC3)c(Cl)c1 ZINC000599107490 449739945 /nfs/dbraw/zinc/73/99/45/449739945.db2.gz MHKHILCJAAGXBI-LBPRGKRZSA-N 0 3 345.808 1.811 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]C[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000601310619 449820732 /nfs/dbraw/zinc/82/07/32/449820732.db2.gz RGUAYISBHCFEEO-SNVBAGLBSA-N 0 3 347.462 1.975 20 5 EDBDHN Cc1cccc(CC2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000612676858 449828696 /nfs/dbraw/zinc/82/86/96/449828696.db2.gz ILTICDWHGUCAQR-KRWDZBQOSA-N 0 3 330.388 1.635 20 5 EDBDHN CCCCNC(=O)[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602764623 449790798 /nfs/dbraw/zinc/79/07/98/449790798.db2.gz FAJZKQIRRXVWBC-CQSZACIVSA-N 0 3 337.424 1.728 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]([NH3+])C(C)C)c1C ZINC000595119966 449880905 /nfs/dbraw/zinc/88/09/05/449880905.db2.gz CSMKSKGJFYNQKR-GFCCVEGCSA-N 0 3 329.422 1.863 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)c1C ZINC000595123271 449883912 /nfs/dbraw/zinc/88/39/12/449883912.db2.gz VMCHPLUEPXLFAZ-GHMZBOCLSA-N 0 3 331.369 1.271 20 5 EDBDHN CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000595130011 449888495 /nfs/dbraw/zinc/88/84/95/449888495.db2.gz IHKKGBRIKIEFMJ-AWEZNQCLSA-N 0 3 348.403 1.784 20 5 EDBDHN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCN(CC)C1 ZINC000595132093 449890138 /nfs/dbraw/zinc/89/01/38/449890138.db2.gz RSIUYNKZOZKETM-AWEZNQCLSA-N 0 3 348.403 1.784 20 5 EDBDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 ZINC000595194156 449935549 /nfs/dbraw/zinc/93/55/49/449935549.db2.gz JQZFLDMYRNHRIV-ZDUSSCGKSA-N 0 3 348.403 1.696 20 5 EDBDHN Cc1ccc(CNCCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000609223527 449979120 /nfs/dbraw/zinc/97/91/20/449979120.db2.gz CRPFIQYXWZBHFX-UHFFFAOYSA-N 0 3 327.406 1.418 20 5 EDBDHN CN(C)CCn1cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000601572647 450082657 /nfs/dbraw/zinc/08/26/57/450082657.db2.gz ZURGXAFVWASFAK-UHFFFAOYSA-N 0 3 345.403 1.668 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609675390 450083916 /nfs/dbraw/zinc/08/39/16/450083916.db2.gz PVZNSWUBWHVFNZ-SNVBAGLBSA-N 0 3 333.435 1.619 20 5 EDBDHN C[C@@H]1CN(CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000595374609 450087492 /nfs/dbraw/zinc/08/74/92/450087492.db2.gz HPTRFVZWKNEWCQ-ZNMIVQPWSA-N 0 3 349.435 1.585 20 5 EDBDHN C[C@@H](C(=O)N1CCC[C@](O)(CN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597574046 450117868 /nfs/dbraw/zinc/11/78/68/450117868.db2.gz MDHSMRHITBWLTH-DYVFJYSZSA-N 0 3 335.404 1.613 20 5 EDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000610264719 450174897 /nfs/dbraw/zinc/17/48/97/450174897.db2.gz MJLGODPNAMYBEY-NEPJUHHUSA-N 0 3 342.421 1.483 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000597694025 450201028 /nfs/dbraw/zinc/20/10/28/450201028.db2.gz IJGOXUDKJGQQET-UHFFFAOYSA-N 0 3 346.431 1.531 20 5 EDBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CSCCN1 ZINC000603419639 450292257 /nfs/dbraw/zinc/29/22/57/450292257.db2.gz OSBYOJUNXOZSQV-QMMMGPOBSA-N 0 3 333.211 1.869 20 5 EDBDHN O=C(NC1CCN(C2CC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000603460846 450305910 /nfs/dbraw/zinc/30/59/10/450305910.db2.gz DUFWKUMUNWBFNB-UHFFFAOYSA-N 0 3 333.344 1.680 20 5 EDBDHN CN(C)CCn1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000270134661 535934055 /nfs/dbraw/zinc/93/40/55/535934055.db2.gz YMDYRVVGGSLPQT-UHFFFAOYSA-N 0 3 345.359 1.962 20 5 EDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000195188433 536368526 /nfs/dbraw/zinc/36/85/26/536368526.db2.gz JOYBUTGMHGKBEH-MRXNPFEDSA-N 0 3 332.404 1.333 20 5 EDBDHN COC(=O)c1cc(NC(=O)[C@H](N)C2CCOCC2)cc([N+](=O)[O-])c1 ZINC000261764141 536554856 /nfs/dbraw/zinc/55/48/56/536554856.db2.gz LYFITYBAQREBAU-CYBMUJFWSA-N 0 3 337.332 1.074 20 5 EDBDHN CN(CCCNCc1ccc([N+](=O)[O-])c(Cl)c1)S(C)(=O)=O ZINC000783596992 578293204 /nfs/dbraw/zinc/29/32/04/578293204.db2.gz PECXTHHWPXTTEK-UHFFFAOYSA-N 0 3 335.813 1.619 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000726165200 578335309 /nfs/dbraw/zinc/33/53/09/578335309.db2.gz WXBZQBRGYDLGOS-STQMWFEESA-N 0 3 344.371 1.669 20 5 EDBDHN CCN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(N)n3)cc2)CC1 ZINC000728049329 578542631 /nfs/dbraw/zinc/54/26/31/578542631.db2.gz OWWUUBQTNWLMFQ-UHFFFAOYSA-N 0 3 343.391 1.853 20 5 EDBDHN C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000729497269 578577811 /nfs/dbraw/zinc/57/78/11/578577811.db2.gz PYZKETXZIXDDIL-APHBMKBZSA-N 0 3 348.403 1.818 20 5 EDBDHN CC(C)(C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000739708034 579239327 /nfs/dbraw/zinc/23/93/27/579239327.db2.gz CRWAPWRZWGFVER-HOTGVXAUSA-N 0 3 347.415 1.852 20 5 EDBDHN Cc1cc(F)cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000753094910 579872472 /nfs/dbraw/zinc/87/24/72/579872472.db2.gz RRVCDABFSTZCBO-CHWSQXEVSA-N 0 3 337.351 1.635 20 5 EDBDHN CCc1nn(C)c(NC2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000769842957 580246979 /nfs/dbraw/zinc/24/69/79/580246979.db2.gz SYWHJGSFTOWABK-CYBMUJFWSA-N 0 3 337.424 1.946 20 5 EDBDHN COCCS(=O)(=O)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775185587 580384964 /nfs/dbraw/zinc/38/49/64/580384964.db2.gz DCMWMUZGUBLSBV-GFCCVEGCSA-N 0 3 330.406 1.697 20 5 EDBDHN CC(C)[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000775424764 580390594 /nfs/dbraw/zinc/39/05/94/580390594.db2.gz TWYOXFBAEYKWLG-CVEARBPZSA-N 0 3 335.404 1.865 20 5 EDBDHN C[C@@H]1CN(C2CCOCC2)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785991579 580657741 /nfs/dbraw/zinc/65/77/41/580657741.db2.gz FFCKAUBRVBKXJB-KDOFPFPSSA-N 0 3 349.431 1.813 20 5 EDBDHN O=C(CCN1CCc2ccccc2C1)OCCn1ccc([N+](=O)[O-])n1 ZINC000786830770 580680567 /nfs/dbraw/zinc/68/05/67/580680567.db2.gz XVVFJBSNSNPQCI-UHFFFAOYSA-N 0 3 344.371 1.783 20 5 EDBDHN C[C@]12CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1C2(Cl)Cl ZINC000792910745 580830646 /nfs/dbraw/zinc/83/06/46/580830646.db2.gz WBWNHWFSIMTIJE-UTUOFQBUSA-N 0 3 349.218 1.668 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000800478014 581053807 /nfs/dbraw/zinc/05/38/07/581053807.db2.gz RUNOKFRBJFQCSZ-MAUKXSAKSA-N 0 3 349.431 1.672 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000892145492 590821623 /nfs/dbraw/zinc/82/16/23/590821623.db2.gz SJBZXPLJLQFCGG-QWHCGFSZSA-N 0 3 346.362 1.979 20 5 EDBDHN CN1C[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000893875818 591125724 /nfs/dbraw/zinc/12/57/24/591125724.db2.gz GIIHVIQKVCFYDC-PBHICJAKSA-N 0 3 332.404 1.730 20 5 EDBDHN C[C@@H](CNC(=O)NCCOCCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000894367336 591291476 /nfs/dbraw/zinc/29/14/76/591291476.db2.gz SLAMAXBEWBLQGQ-ZDUSSCGKSA-N 0 3 338.408 1.576 20 5 EDBDHN CN(C)CCOCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000788018517 591679278 /nfs/dbraw/zinc/67/92/78/591679278.db2.gz PIRVWRJUXMPSMV-UHFFFAOYSA-N 0 3 344.799 1.626 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCO1 ZINC000900740300 592114189 /nfs/dbraw/zinc/11/41/89/592114189.db2.gz VMEWUTSCKAZBSE-JTQLQIEISA-N 0 3 345.758 1.790 20 5 EDBDHN CCN1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910283910 592820912 /nfs/dbraw/zinc/82/09/12/592820912.db2.gz KALXZZLGXAERCM-ZDUSSCGKSA-N 0 3 349.387 1.729 20 5 EDBDHN CN1CCC(N(CCO)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911944589 593037437 /nfs/dbraw/zinc/03/74/37/593037437.db2.gz ALFNBGYVUYGATF-DLBZAZTESA-N 0 3 347.415 1.613 20 5 EDBDHN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN(Cc2ccccc2)C1 ZINC000803339318 593320794 /nfs/dbraw/zinc/32/07/94/593320794.db2.gz KBANNEFDURHBEG-KRWDZBQOSA-N 0 3 343.387 1.960 20 5 EDBDHN CC(C)(C)[S@@](=O)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819056166 593736254 /nfs/dbraw/zinc/73/62/54/593736254.db2.gz JDNYTURPIUDGRP-SPSFWMDKSA-N 0 3 344.433 1.471 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCOc2cccnc2)c1 ZINC000819067846 593737074 /nfs/dbraw/zinc/73/70/74/593737074.db2.gz CNOJHDIMBRPQJQ-AWEZNQCLSA-N 0 3 333.344 1.398 20 5 EDBDHN C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820752038 593880788 /nfs/dbraw/zinc/88/07/88/593880788.db2.gz JSUXYZJEUBBZES-PWSUYJOCSA-N 0 3 331.380 1.551 20 5 EDBDHN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820752038 593880790 /nfs/dbraw/zinc/88/07/90/593880790.db2.gz JSUXYZJEUBBZES-PWSUYJOCSA-N 0 3 331.380 1.551 20 5 EDBDHN O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821051669 593953845 /nfs/dbraw/zinc/95/38/45/593953845.db2.gz FQLMKGKAUGFQFL-YESZJQIVSA-N 0 3 347.415 1.661 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000822038377 593986420 /nfs/dbraw/zinc/98/64/20/593986420.db2.gz TUBSWTMVNKENTB-AWEZNQCLSA-N 0 3 348.447 1.967 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(CN(C)C)cc1F ZINC000822651554 594079629 /nfs/dbraw/zinc/07/96/29/594079629.db2.gz DYEMOFPEGJPRAI-UHFFFAOYSA-N 0 3 335.339 1.939 20 5 EDBDHN CC(C)(CCC(=O)N1CCCN(C[C@H]2CCCO2)CC1)[N+](=O)[O-] ZINC000822836552 594109250 /nfs/dbraw/zinc/10/92/50/594109250.db2.gz HRMBHIMJMCEPRC-CQSZACIVSA-N 0 3 327.425 1.535 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000829216455 594582856 /nfs/dbraw/zinc/58/28/56/594582856.db2.gz YFOPXKQKYLQVMD-LBPRGKRZSA-N 0 3 344.375 1.232 20 5 EDBDHN CN1CCN(C2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000827473487 594675577 /nfs/dbraw/zinc/67/55/77/594675577.db2.gz KGJZSGKRYBDANW-UHFFFAOYSA-N 0 3 347.419 1.029 20 5 EDBDHN CCO[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])CN(C)C ZINC000831725260 594696564 /nfs/dbraw/zinc/69/65/64/594696564.db2.gz XDSUDEYNKQQTFZ-NSHDSACASA-N 0 3 325.365 1.300 20 5 EDBDHN CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)CN(C)C ZINC000831771142 594701444 /nfs/dbraw/zinc/70/14/44/594701444.db2.gz IXIKGYXDPWQLNW-GFCCVEGCSA-N 0 3 325.365 1.300 20 5 EDBDHN CN1CCC(CCO)(NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000831783762 594702757 /nfs/dbraw/zinc/70/27/57/594702757.db2.gz CRPZZZKMFHTHOS-UHFFFAOYSA-N 0 3 325.340 1.311 20 5 EDBDHN COc1cc(COC(=O)C2CCCN(C)C2=O)c([N+](=O)[O-])cc1F ZINC000837960018 595242561 /nfs/dbraw/zinc/24/25/61/595242561.db2.gz RBSXECHMCGQJPX-JTQLQIEISA-N 0 3 340.307 1.654 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H](O)c2ccsc2)c1 ZINC000843081320 595282285 /nfs/dbraw/zinc/28/22/85/595282285.db2.gz BEOGQCVODQZQHG-UKRRQHHQSA-N 0 3 338.385 1.719 20 5 EDBDHN CN(C[C@H]1CCCN1C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490273 595394472 /nfs/dbraw/zinc/39/44/72/595394472.db2.gz YITQRSBDYWBDJW-IAGOWNOFSA-N 0 3 346.431 1.894 20 5 EDBDHN COCCN1CCC(OC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000847882500 595496065 /nfs/dbraw/zinc/49/60/65/595496065.db2.gz LQDARKYXOXQRNZ-UHFFFAOYSA-N 0 3 338.360 1.871 20 5 EDBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1COCCO1 ZINC000852495144 596182096 /nfs/dbraw/zinc/18/20/96/596182096.db2.gz HXODCSMLXNNGLU-GFCCVEGCSA-N 0 3 341.339 1.410 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCN3C)C2)cc1[N+](=O)[O-] ZINC000867815137 596566960 /nfs/dbraw/zinc/56/69/60/596566960.db2.gz XNTHYSJBQSIVRR-TZMCWYRMSA-N 0 3 339.417 1.618 20 5 EDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000866384509 596872127 /nfs/dbraw/zinc/87/21/27/596872127.db2.gz ZFMIXUVEFYYATM-GWCFXTLKSA-N 0 3 345.396 1.288 20 5 EDBDHN CC1(N2CCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000882767221 598050499 /nfs/dbraw/zinc/05/04/99/598050499.db2.gz GHIIYIUZXGEHAS-UHFFFAOYSA-N 0 3 340.405 1.239 20 5 EDBDHN CC(C)Oc1cccc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031661855 697435956 /nfs/dbraw/zinc/43/59/56/697435956.db2.gz KTYQOPKJJJLKIS-IAGOWNOFSA-N 0 3 347.415 1.687 20 5 EDBDHN CNC(=O)CCCN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000155017477 529851901 /nfs/dbraw/zinc/85/19/01/529851901.db2.gz GIITYHHPJPAPGG-UHFFFAOYSA-N 0 3 325.365 1.440 20 5 EDBDHN CNS(=O)(=O)CCN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000187177061 530018686 /nfs/dbraw/zinc/01/86/86/530018686.db2.gz QANCNGRGTRCFGD-OCCSQVGLSA-N 0 3 341.433 1.445 20 5 EDBDHN COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1[N+](=O)[O-] ZINC000069902223 138202004 /nfs/dbraw/zinc/20/20/04/138202004.db2.gz KDZCCANXQVSQTD-UHFFFAOYSA-N 0 3 343.405 1.368 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413833254 304079437 /nfs/dbraw/zinc/07/94/37/304079437.db2.gz KGNAUYMLKBCDJF-VJUNAUMWSA-N 0 3 347.415 1.612 20 5 EDBDHN COc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000129479084 223060100 /nfs/dbraw/zinc/06/01/00/223060100.db2.gz DTHXPYMYPBQNDW-HNNXBMFYSA-N 0 3 335.404 1.758 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000129946502 223106655 /nfs/dbraw/zinc/10/66/55/223106655.db2.gz ARGZLNNXLGAISV-BLLLJJGKSA-N 0 3 338.408 1.576 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000129946320 223106847 /nfs/dbraw/zinc/10/68/47/223106847.db2.gz ARGZLNNXLGAISV-MLGOLLRUSA-N 0 3 338.408 1.576 20 5 EDBDHN Cc1c(C(=O)NC[C@H]2CCN(C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000110652113 220052395 /nfs/dbraw/zinc/05/23/95/220052395.db2.gz IYBYMGFOOGMYEH-GFCCVEGCSA-N 0 3 344.375 1.165 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000110797557 220067525 /nfs/dbraw/zinc/06/75/25/220067525.db2.gz DPOSWOBIOYYOPB-SECBINFHSA-N 0 3 333.797 1.526 20 5 EDBDHN Cc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1[N+](=O)[O-] ZINC000093821046 218252071 /nfs/dbraw/zinc/25/20/71/218252071.db2.gz GAFMRZSEOZAVMW-INIZCTEOSA-N 0 3 346.431 1.642 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2CC[NH2+]CC2)c1 ZINC000262796648 139304255 /nfs/dbraw/zinc/30/42/55/139304255.db2.gz UFFQSPSBPLJPIM-UHFFFAOYSA-N 0 3 333.797 1.587 20 5 EDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@]1(O)CN2CCC1CC2 ZINC000493492530 255211882 /nfs/dbraw/zinc/21/18/82/255211882.db2.gz SJVFNGYXEGXTBT-FUTAKVPZSA-N 0 3 331.372 1.181 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000493828050 255223365 /nfs/dbraw/zinc/22/33/65/255223365.db2.gz UGYGDWZXIYWGLI-MFHOCJEASA-N 0 3 341.371 1.295 20 5 EDBDHN CN(CCCN(C)C(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])cn1 ZINC000496331787 255382278 /nfs/dbraw/zinc/38/22/78/255382278.db2.gz SGNRSFZRBCATRA-UHFFFAOYSA-N 0 3 341.412 1.980 20 5 EDBDHN CC(COC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496344431 255384164 /nfs/dbraw/zinc/38/41/64/255384164.db2.gz NPNGVURBPNHQIM-MRVPVSSYSA-N 0 3 326.296 1.745 20 5 EDBDHN NC(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000271304485 140274550 /nfs/dbraw/zinc/27/45/50/140274550.db2.gz LBYHZESIESNFQZ-OAHLLOKOSA-N 0 3 343.387 1.895 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000572158572 306582415 /nfs/dbraw/zinc/58/24/15/306582415.db2.gz ZYXOROSAGPTMSN-JOCQHMNTSA-N 0 3 341.433 1.947 20 5 EDBDHN CCN1CC[C@@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000339393594 142035421 /nfs/dbraw/zinc/03/54/21/142035421.db2.gz KLWPYFRUMTVENE-RDJZCZTQSA-N 0 3 335.404 1.769 20 5 EDBDHN O=C(CN[C@@H](C1CC1)[C@@]1(CO)CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000339762134 142148263 /nfs/dbraw/zinc/14/82/63/142148263.db2.gz JGKJWOQLTBBVAG-IRXDYDNUSA-N 0 3 349.387 1.443 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)N[C@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000345321712 143077698 /nfs/dbraw/zinc/07/76/98/143077698.db2.gz OKZQRKNLCLBOJJ-JSGCOSHPSA-N 0 3 348.403 1.232 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3[C@H](CO)CC[C@H]3CO)o2)c1 ZINC000347283456 143303687 /nfs/dbraw/zinc/30/36/87/143303687.db2.gz BUOWKVRROXIDOL-GJZGRUSLSA-N 0 3 347.371 1.610 20 5 EDBDHN C[C@@H](N[C@@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369880422 155216475 /nfs/dbraw/zinc/21/64/75/155216475.db2.gz ALXWUOXTRVJQCD-NVXWUHKLSA-N 0 3 348.447 1.652 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CSC[C@@H]1C ZINC000352818010 149180122 /nfs/dbraw/zinc/18/01/22/149180122.db2.gz SGYZNHTWUCNXNF-JOYOIKCWSA-N 0 3 325.390 1.883 20 5 EDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCCC[C@H]2n2cc(CO)nn2)c1 ZINC000353224440 149330403 /nfs/dbraw/zinc/33/04/03/149330403.db2.gz LMIXYKQNHQMLNV-HZPDHXFCSA-N 0 3 331.376 1.952 20 5 EDBDHN C[C@@H]1[C@@H](N(C)CCO)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000356046187 150486359 /nfs/dbraw/zinc/48/63/59/150486359.db2.gz MKXWPVFHMITJBH-BZNIZROVSA-N 0 3 346.387 1.603 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C ZINC000357412757 151024606 /nfs/dbraw/zinc/02/46/06/151024606.db2.gz BFIAIFPCYKVGOW-QWHCGFSZSA-N 0 3 343.387 1.993 20 5 EDBDHN COc1cnccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000358312529 151333595 /nfs/dbraw/zinc/33/35/95/151333595.db2.gz RERISFOMQFWUPX-UHFFFAOYSA-N 0 3 345.359 1.299 20 5 EDBDHN Cc1c([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000360847046 152228447 /nfs/dbraw/zinc/22/84/47/152228447.db2.gz GPJSSPLHTOOWKF-HIFRSBDPSA-N 0 3 334.380 1.031 20 5 EDBDHN C[C@H]1C[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1C ZINC000361084868 152298609 /nfs/dbraw/zinc/29/86/09/152298609.db2.gz RUJCTCCIZJXHAA-VHSXEESVSA-N 0 3 328.394 1.137 20 5 EDBDHN CN(CCNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364376084 153220963 /nfs/dbraw/zinc/22/09/63/153220963.db2.gz COIPSNPHJIBDNI-CYBMUJFWSA-N 0 3 336.396 1.232 20 5 EDBDHN Cn1ccnc(N2CCC(NCc3cccc([N+](=O)[O-])c3)CC2)c1=O ZINC000369504536 155062398 /nfs/dbraw/zinc/06/23/98/155062398.db2.gz UQEGYGPMJDQIMD-UHFFFAOYSA-N 0 3 343.387 1.447 20 5 EDBDHN COc1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000374272847 157223083 /nfs/dbraw/zinc/22/30/83/157223083.db2.gz RMJBPQJHYKDIIX-BLLLJJGKSA-N 0 3 338.360 1.737 20 5 EDBDHN Cc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000407974809 158231687 /nfs/dbraw/zinc/23/16/87/158231687.db2.gz VFGNBPVVDJLWFQ-QWHCGFSZSA-N 0 3 339.417 1.808 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000364952828 162345750 /nfs/dbraw/zinc/34/57/50/162345750.db2.gz JVINOHFWBDQJFO-ZDUSSCGKSA-N 0 3 336.392 1.824 20 5 EDBDHN NC1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCCC1 ZINC000169191826 226235576 /nfs/dbraw/zinc/23/55/76/226235576.db2.gz RZPVHYHYXLTCOJ-GFCCVEGCSA-N 0 3 333.392 1.664 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)c1C ZINC000123398916 222270138 /nfs/dbraw/zinc/27/01/38/222270138.db2.gz OFQRWNUFIGFURJ-GFCCVEGCSA-N 0 3 327.406 1.490 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000262752842 273017846 /nfs/dbraw/zinc/01/78/46/273017846.db2.gz GUTBZVORZVFKLI-JQWIXIFHSA-N 0 3 327.406 1.488 20 5 EDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000274057487 268103192 /nfs/dbraw/zinc/10/31/92/268103192.db2.gz ZOUAFOJSSWJHBK-WFASDCNBSA-N 0 3 341.433 1.946 20 5 EDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1N1CCCC1 ZINC000273456331 273041026 /nfs/dbraw/zinc/04/10/26/273041026.db2.gz DPMUEGCRFOFKKJ-JQWIXIFHSA-N 0 3 325.390 1.840 20 5 EDBDHN CC[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C[C@H](C)O ZINC000277903277 273233198 /nfs/dbraw/zinc/23/31/98/273233198.db2.gz RMDSUTXWKJWQOQ-NWDGAFQWSA-N 0 3 333.392 1.753 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)c2ncnc3cccc([N+](=O)[O-])c32)N(C)C1 ZINC000343884094 274071476 /nfs/dbraw/zinc/07/14/76/274071476.db2.gz CGFMRCMBZMUAPB-VXGBXAGGSA-N 0 3 331.376 1.693 20 5 EDBDHN Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000284465775 274211845 /nfs/dbraw/zinc/21/18/45/274211845.db2.gz HUHAPNJKINAIEP-CZUORRHYSA-N 0 3 329.360 1.438 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000284734247 274312551 /nfs/dbraw/zinc/31/25/51/274312551.db2.gz KMFPKJCRUHEERC-PVAVHDDUSA-N 0 3 336.388 1.978 20 5 EDBDHN O=[N+]([O-])c1ccc(Br)cc1N1CCCN(CCO)CC1 ZINC000087835089 275035104 /nfs/dbraw/zinc/03/51/04/275035104.db2.gz YIIGFEUYZDTION-UHFFFAOYSA-N 0 3 344.209 1.862 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178211338 276093714 /nfs/dbraw/zinc/09/37/14/276093714.db2.gz ITBXBPKGRVFFEL-UHFFFAOYSA-N 0 3 335.408 1.289 20 5 EDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000346921081 278313416 /nfs/dbraw/zinc/31/34/16/278313416.db2.gz JZFRTVSWBSNDQD-KCPJHIHWSA-N 0 3 343.387 1.590 20 5 EDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC1(CS(C)(=O)=O)CC1 ZINC000449186381 279382100 /nfs/dbraw/zinc/38/21/00/279382100.db2.gz OYBLXXNMKRDPGV-GFCCVEGCSA-N 0 3 326.418 1.940 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000450894200 281259797 /nfs/dbraw/zinc/25/97/97/281259797.db2.gz ULPDWYJJPZFDIK-CQSZACIVSA-N 0 3 332.404 1.694 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000290686327 288936622 /nfs/dbraw/zinc/93/66/22/288936622.db2.gz FAHBRVHEYGKTRP-AWEZNQCLSA-N 0 3 348.403 1.648 20 5 EDBDHN COCCN(C)CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291679403 289148504 /nfs/dbraw/zinc/14/85/04/289148504.db2.gz FAKUWCFMBJZAHI-UHFFFAOYSA-N 0 3 338.408 1.707 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420476364 304763526 /nfs/dbraw/zinc/76/35/26/304763526.db2.gz YAKXQVLRCCRCLJ-RYUDHWBXSA-N 0 3 327.406 1.699 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000361858027 303044595 /nfs/dbraw/zinc/04/45/95/303044595.db2.gz NRECMRKGMFOPMM-ZDUSSCGKSA-N 0 3 341.371 1.953 20 5 EDBDHN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000295356403 303208549 /nfs/dbraw/zinc/20/85/49/303208549.db2.gz NQZTYZIPUKYOOM-CYBMUJFWSA-N 0 3 333.388 1.916 20 5 EDBDHN Cc1nc(N2CCN(C(=O)CN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301658410 303688062 /nfs/dbraw/zinc/68/80/62/303688062.db2.gz SRKWAJKFUKHVOU-UHFFFAOYSA-N 0 3 333.392 1.043 20 5 EDBDHN CSC1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCN(C)CC1 ZINC000427147082 304985994 /nfs/dbraw/zinc/98/59/94/304985994.db2.gz ITVIZTHDQFDPBQ-UHFFFAOYSA-N 0 3 338.433 1.734 20 5 EDBDHN CN1CCN(C(=O)CCNC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429236179 305026204 /nfs/dbraw/zinc/02/62/04/305026204.db2.gz LKNPRRVJHLHJHZ-UHFFFAOYSA-N 0 3 334.420 1.584 20 5 EDBDHN CCS(=O)(=O)NCCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429249015 305026696 /nfs/dbraw/zinc/02/66/96/305026696.db2.gz PSVIZBYIJUSOLR-UHFFFAOYSA-N 0 3 329.422 1.749 20 5 EDBDHN CC(C)[C@@H]1CN(C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000436482616 305158586 /nfs/dbraw/zinc/15/85/86/305158586.db2.gz IKGFUEPDCDPAEX-HOCLYGCPSA-N 0 3 337.420 1.607 20 5 EDBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000448605319 305299352 /nfs/dbraw/zinc/29/93/52/305299352.db2.gz KZOGGXKBQTVZQQ-UHFFFAOYSA-N 0 3 339.417 1.505 20 5 EDBDHN O=[N+]([O-])c1c(NC[C@@H]2CCCCN2CCO)nc2sccn21 ZINC000450610155 305330799 /nfs/dbraw/zinc/33/07/99/305330799.db2.gz GPPDMNWOXVZDJS-JTQLQIEISA-N 0 3 325.394 1.563 20 5 EDBDHN CN1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000451637633 305358214 /nfs/dbraw/zinc/35/82/14/305358214.db2.gz XWRSXODTBJORMS-YGRLFVJLSA-N 0 3 338.795 1.823 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC(C)(C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000457225964 305484742 /nfs/dbraw/zinc/48/47/42/305484742.db2.gz SZQBAFMAPHJGIW-UHFFFAOYSA-N 0 3 337.376 1.842 20 5 EDBDHN CC(C)N(CCN(C)C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000532698582 305989545 /nfs/dbraw/zinc/98/95/45/305989545.db2.gz DZJDIVDUUWRXDU-UHFFFAOYSA-N 0 3 338.408 1.955 20 5 EDBDHN Cn1ccnc1[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000534579632 306008081 /nfs/dbraw/zinc/00/80/81/306008081.db2.gz YQVIVZAOZGHPIR-CYBMUJFWSA-N 0 3 329.360 1.417 20 5 EDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000057720789 441131376 /nfs/dbraw/zinc/13/13/76/441131376.db2.gz GDUNUXWMOUDKKB-VXGBXAGGSA-N 0 3 348.403 1.312 20 5 EDBDHN CCN1CCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000015164125 441196890 /nfs/dbraw/zinc/19/68/90/441196890.db2.gz SKJLOHOXGYGVQW-JTQLQIEISA-N 0 3 328.394 1.138 20 5 EDBDHN O=[N+]([O-])c1ccc2oc(CN3CCN(C[C@@H]4CCOC4)CC3)nc2c1 ZINC000083250094 441359801 /nfs/dbraw/zinc/35/98/01/441359801.db2.gz OEQHXLPTFWLYFN-ZDUSSCGKSA-N 0 3 346.387 1.890 20 5 EDBDHN Nc1nc(NCCCN2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000076675860 441674890 /nfs/dbraw/zinc/67/48/90/441674890.db2.gz AVTGTNYANIROCE-UHFFFAOYSA-N 0 3 328.376 1.827 20 5 EDBDHN CCN1CCC(NC(=O)Cn2cc(Cl)cc([N+](=O)[O-])c2=O)CC1 ZINC000158684420 441755582 /nfs/dbraw/zinc/75/55/82/441755582.db2.gz OSZRVAQZONVKBC-UHFFFAOYSA-N 0 3 342.783 1.010 20 5 EDBDHN COc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000068341066 441778097 /nfs/dbraw/zinc/77/80/97/441778097.db2.gz KTZJHUSEYLSPQE-LLVKDONJSA-N 0 3 337.376 1.778 20 5 EDBDHN COc1cc(C(=O)N2CCC[C@H](N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000068341067 441778131 /nfs/dbraw/zinc/77/81/31/441778131.db2.gz KTZJHUSEYLSPQE-NSHDSACASA-N 0 3 337.376 1.778 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000069528965 441964689 /nfs/dbraw/zinc/96/46/89/441964689.db2.gz APDZHIIYVOQFEW-CYBMUJFWSA-N 0 3 337.376 1.201 20 5 EDBDHN O=C1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@H]2N1C1CC1 ZINC000125336819 442011794 /nfs/dbraw/zinc/01/17/94/442011794.db2.gz UNIAKQGQDCMDLA-IUODEOHRSA-N 0 3 333.392 1.267 20 5 EDBDHN CCCN(CC)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175360577 442047924 /nfs/dbraw/zinc/04/79/24/442047924.db2.gz HZZADVRABQTFDO-UHFFFAOYSA-N 0 3 329.422 1.913 20 5 EDBDHN COC[C@@](C)(O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000069911853 442072017 /nfs/dbraw/zinc/07/20/17/442072017.db2.gz SVYDWCUQKPZKNX-INIZCTEOSA-N 0 3 334.376 1.482 20 5 EDBDHN Cc1c(C(=O)N2CC[C@@H](N(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000170867558 442280496 /nfs/dbraw/zinc/28/04/96/442280496.db2.gz AFRTYQLSJLLPOM-CQSZACIVSA-N 0 3 344.375 1.260 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)[C@H](C)OC ZINC000191719155 442497884 /nfs/dbraw/zinc/49/78/84/442497884.db2.gz HHKGCJQFKMNSQG-AXFHLTTASA-N 0 3 325.365 1.943 20 5 EDBDHN Cc1ccc(NCCCNC(=O)C(C)S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000156915888 442533103 /nfs/dbraw/zinc/53/31/03/442533103.db2.gz NYWLHPAVLZPHPU-NSHDSACASA-N 0 3 343.405 1.255 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192525283 442658084 /nfs/dbraw/zinc/65/80/84/442658084.db2.gz RROXXUQVUXWRCP-LBPRGKRZSA-N 0 3 337.376 1.444 20 5 EDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000192919342 442698401 /nfs/dbraw/zinc/69/84/01/442698401.db2.gz MNLGMRFQTDWDAV-PHIMTYICSA-N 0 3 343.380 1.224 20 5 EDBDHN CC(C)CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181499858 442700348 /nfs/dbraw/zinc/70/03/48/442700348.db2.gz FXWIJLVBGBKANT-HNNXBMFYSA-N 0 3 337.420 1.608 20 5 EDBDHN Cc1nn(C)c(C(=O)Nc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000194118415 442848209 /nfs/dbraw/zinc/84/82/09/442848209.db2.gz BMRODSGADMHRAH-UHFFFAOYSA-N 0 3 347.375 1.829 20 5 EDBDHN CN(C)[C@]1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCSC1 ZINC000268179772 442886331 /nfs/dbraw/zinc/88/63/31/442886331.db2.gz WDYSXGYOZDJSAL-AWEZNQCLSA-N 0 3 327.381 1.901 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000268248203 442917424 /nfs/dbraw/zinc/91/74/24/442917424.db2.gz WLWIALCUSIZSHQ-YGRLFVJLSA-N 0 3 337.351 1.712 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183352512 442923528 /nfs/dbraw/zinc/92/35/28/442923528.db2.gz GUWMZXTWIXVRKM-UHFFFAOYSA-N 0 3 329.422 1.399 20 5 EDBDHN COC[C@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000183456319 318524531 /nfs/dbraw/zinc/52/45/31/318524531.db2.gz MPGXIOWXQLRVLV-YGRLFVJLSA-N 0 3 337.376 1.945 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000194679070 442936207 /nfs/dbraw/zinc/93/62/07/442936207.db2.gz YZVBAVJDLIGREJ-UHFFFAOYSA-N 0 3 347.375 1.761 20 5 EDBDHN CN1CCN(CCC(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184180289 442999675 /nfs/dbraw/zinc/99/96/75/442999675.db2.gz DLWFUWZHWGFBJH-UHFFFAOYSA-N 0 3 334.420 1.741 20 5 EDBDHN CC(C)c1ccc([C@@H](N)CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000236721625 443145169 /nfs/dbraw/zinc/14/51/69/443145169.db2.gz HKWJJPJCJIXRBJ-AWEZNQCLSA-N 0 3 331.376 1.731 20 5 EDBDHN Cc1ccc(C)n1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266741372 443226172 /nfs/dbraw/zinc/22/61/72/443226172.db2.gz NOSANLNPFTTXNP-QGZVFWFLSA-N 0 3 347.419 1.908 20 5 EDBDHN CC(C)(CN1CCOCC1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000413967711 319307100 /nfs/dbraw/zinc/30/71/00/319307100.db2.gz QSZNAASWSIYEPX-UHFFFAOYSA-N 0 3 347.375 1.312 20 5 EDBDHN NC(=O)c1ccc(CN2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264542151 443319697 /nfs/dbraw/zinc/31/96/97/443319697.db2.gz AXEHPUOUJUMBMB-OAHLLOKOSA-N 0 3 332.404 1.754 20 5 EDBDHN C[C@@H](N[C@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282750596 443424239 /nfs/dbraw/zinc/42/42/39/443424239.db2.gz KDMUQDVEANNCDZ-RISCZKNCSA-N 0 3 346.387 1.713 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272888331 443479508 /nfs/dbraw/zinc/47/95/08/443479508.db2.gz IXXNWDWLWMHVHB-LLVKDONJSA-N 0 3 342.421 1.020 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCO1 ZINC000265403085 443630627 /nfs/dbraw/zinc/63/06/27/443630627.db2.gz XZSALEJDHGWKSP-GFCCVEGCSA-N 0 3 332.360 1.479 20 5 EDBDHN COCCCN1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272380119 443608009 /nfs/dbraw/zinc/60/80/09/443608009.db2.gz FOOZBSDPTYXXPS-UHFFFAOYSA-N 0 3 336.392 1.408 20 5 EDBDHN CCN(C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276156931 443657408 /nfs/dbraw/zinc/65/74/08/443657408.db2.gz FKSODNSKKRDAKS-GFCCVEGCSA-N 0 3 341.433 1.776 20 5 EDBDHN CC(C)(CN1CCCC1)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452097608 320241328 /nfs/dbraw/zinc/24/13/28/320241328.db2.gz REIFDNXCZHXEOA-UHFFFAOYSA-N 0 3 346.431 1.948 20 5 EDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000457089865 320319209 /nfs/dbraw/zinc/31/92/09/320319209.db2.gz LQJHDVASIIITLE-GFCCVEGCSA-N 0 3 335.360 1.878 20 5 EDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCN1CCCO ZINC000493661683 320396922 /nfs/dbraw/zinc/39/69/22/320396922.db2.gz OOELFJDOQGPTNS-KXPUMZMLSA-N 0 3 333.388 1.571 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000298324347 443746779 /nfs/dbraw/zinc/74/67/79/443746779.db2.gz ZJJSCDZXWWUZJY-GFCCVEGCSA-N 0 3 334.376 1.313 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000276786510 443827139 /nfs/dbraw/zinc/82/71/39/443827139.db2.gz IVLNWNMDOXEEEQ-STQMWFEESA-N 0 3 341.433 1.782 20 5 EDBDHN Cc1cc(OCC(=O)N2C[C@H]3CCCN3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281551849 443941455 /nfs/dbraw/zinc/94/14/55/443941455.db2.gz XSJRIVKLXKHVFV-ZIAGYGMSSA-N 0 3 333.388 1.977 20 5 EDBDHN COCCOCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000289020983 444035805 /nfs/dbraw/zinc/03/58/05/444035805.db2.gz OAFUNYBFQWFTQO-UHFFFAOYSA-N 0 3 339.392 1.827 20 5 EDBDHN NC(=O)[C@H]1CCO[C@@H]1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000285582433 444036789 /nfs/dbraw/zinc/03/67/89/444036789.db2.gz SRKCTDDSCRKPSJ-DLBZAZTESA-N 0 3 347.415 1.740 20 5 EDBDHN CN(CCOCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281909498 444037135 /nfs/dbraw/zinc/03/71/35/444037135.db2.gz ATNLEXUSBQZRCG-UHFFFAOYSA-N 0 3 335.360 1.733 20 5 EDBDHN CCn1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1=O ZINC000566123738 321218296 /nfs/dbraw/zinc/21/82/96/321218296.db2.gz DOYPJBXJZPQYRC-HNNXBMFYSA-N 0 3 347.371 1.306 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000568970665 321312584 /nfs/dbraw/zinc/31/25/84/321312584.db2.gz AASADZRUQSYCPH-KRWDZBQOSA-N 0 3 349.387 1.180 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299708707 444121507 /nfs/dbraw/zinc/12/15/07/444121507.db2.gz PYRXPUSWYRZCBZ-GXTWGEPZSA-N 0 3 348.403 1.783 20 5 EDBDHN CCN1CCC[C@H]1CN(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301485370 444174489 /nfs/dbraw/zinc/17/44/89/444174489.db2.gz WOCRAKMVGHOWBD-LBPRGKRZSA-N 0 3 331.376 1.523 20 5 EDBDHN COCCN1CCC(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000576800094 321596948 /nfs/dbraw/zinc/59/69/48/321596948.db2.gz FAABYHYNNISXBX-ZDUSSCGKSA-N 0 3 335.404 1.925 20 5 EDBDHN CCC[C@@H](NC[C@]1(O)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000296596308 444242273 /nfs/dbraw/zinc/24/22/73/444242273.db2.gz VHDQTLLHJNBWOM-HUUCEWRRSA-N 0 3 342.417 1.575 20 5 EDBDHN CS(=O)(=O)N1CCC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577648808 321670890 /nfs/dbraw/zinc/67/08/90/321670890.db2.gz KLGFAIUFJJWZFX-BXUZGUMPSA-N 0 3 339.417 1.596 20 5 EDBDHN O=C([C@H]1CCCN1C1CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000580929108 322112717 /nfs/dbraw/zinc/11/27/17/322112717.db2.gz DRWCBLWDVIWAPC-IUODEOHRSA-N 0 3 345.403 1.629 20 5 EDBDHN Cn1cc([C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2(C)C)cn1 ZINC000581109969 322136183 /nfs/dbraw/zinc/13/61/83/322136183.db2.gz AFXOZGPSSRYSGI-GJZGRUSLSA-N 0 3 348.407 1.011 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000340877824 444555346 /nfs/dbraw/zinc/55/53/46/444555346.db2.gz CVRIMRCYBBFKRT-YPMHNXCESA-N 0 3 327.406 1.474 20 5 EDBDHN COC(=O)c1cc(C)nc(N(C)[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000342198602 444559701 /nfs/dbraw/zinc/55/97/01/444559701.db2.gz HHDUNUFUVXSSCI-GFCCVEGCSA-N 0 3 334.376 1.758 20 5 EDBDHN CCN1CCC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000342244756 444585856 /nfs/dbraw/zinc/58/58/56/444585856.db2.gz GMSZIYAKAOHJDG-CQSZACIVSA-N 0 3 348.403 1.315 20 5 EDBDHN CCN(CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000338453148 444702796 /nfs/dbraw/zinc/70/27/96/444702796.db2.gz FYVRQQDBNVGGSQ-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN CN(C)Cc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000342851467 444893000 /nfs/dbraw/zinc/89/30/00/444893000.db2.gz GWWULLFMWFMPTI-UHFFFAOYSA-N 0 3 344.371 1.135 20 5 EDBDHN O=C(NCCNc1ccncc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000341871621 445046077 /nfs/dbraw/zinc/04/60/77/445046077.db2.gz ODDDYVXGNDIUAN-UHFFFAOYSA-N 0 3 344.327 1.025 20 5 EDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346224505 445208847 /nfs/dbraw/zinc/20/88/47/445208847.db2.gz NWKUNOOZBJQGQO-SLEUVZQESA-N 0 3 332.404 1.979 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)C(=O)N1CCCC1 ZINC000343493637 445233537 /nfs/dbraw/zinc/23/35/37/445233537.db2.gz DKIHGJAHAQHKHS-CHWSQXEVSA-N 0 3 348.403 1.912 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1C[C@H](F)CN1c1ccncn1 ZINC000348183656 445308764 /nfs/dbraw/zinc/30/87/64/445308764.db2.gz SXWGWRXBPQSHLB-QWHCGFSZSA-N 0 3 349.370 1.130 20 5 EDBDHN NC(=O)c1ccnc(N[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000357328135 445549834 /nfs/dbraw/zinc/54/98/34/445549834.db2.gz WMTFOJKMGAOSPF-ZDUSSCGKSA-N 0 3 341.371 1.775 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-]CC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000353425442 445595567 /nfs/dbraw/zinc/59/55/67/445595567.db2.gz JYXKBRPNGSMPCS-UHFFFAOYSA-N 0 3 329.422 1.769 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)N(C)CCN2CCCC2)ccc1[N+](=O)[O-] ZINC000360298638 445684614 /nfs/dbraw/zinc/68/46/14/445684614.db2.gz MZDMGXHRJQJULZ-UHFFFAOYSA-N 0 3 348.403 1.187 20 5 EDBDHN O=C([C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000363387170 445782807 /nfs/dbraw/zinc/78/28/07/445782807.db2.gz AJXXYQBWBFKWMW-INIZCTEOSA-N 0 3 347.415 1.708 20 5 EDBDHN CN1CCC(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000365966281 445932933 /nfs/dbraw/zinc/93/29/33/445932933.db2.gz FXHMFESKNWECPB-UHFFFAOYSA-N 0 3 333.388 1.916 20 5 EDBDHN COc1cccc(N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000364944002 445971028 /nfs/dbraw/zinc/97/10/28/445971028.db2.gz MRTLVKGMWIFHTC-CQSZACIVSA-N 0 3 334.420 1.820 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCCN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000369247473 446020269 /nfs/dbraw/zinc/02/02/69/446020269.db2.gz BRFHGPCGHXYJMJ-QZTJIDSGSA-N 0 3 349.431 1.895 20 5 EDBDHN CCc1n[n-]c(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2CC)c1[N+](=O)[O-] ZINC000373072603 446007767 /nfs/dbraw/zinc/00/77/67/446007767.db2.gz YGSQDPNFFORLFK-NSHDSACASA-N 0 3 346.391 1.944 20 5 EDBDHN CC(C)[C@H](CO)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584291898 326236949 /nfs/dbraw/zinc/23/69/49/326236949.db2.gz MDTWTHFGAXBWEG-LBPRGKRZSA-N 0 3 330.406 1.223 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N(CCN(C)C)C2CC2)cc([N+](=O)[O-])c1 ZINC000356879286 446091148 /nfs/dbraw/zinc/09/11/48/446091148.db2.gz SDRJJJXQOUKPTR-UHFFFAOYSA-N 0 3 349.387 1.938 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000351490440 446092627 /nfs/dbraw/zinc/09/26/27/446092627.db2.gz FDDUAAWEPKZZIK-ONGXEEELSA-N 0 3 338.339 1.271 20 5 EDBDHN C[C@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000359313999 446142257 /nfs/dbraw/zinc/14/22/57/446142257.db2.gz ONDNJKKNFJDZFB-NWDGAFQWSA-N 0 3 343.405 1.030 20 5 EDBDHN CN1CC[C@]2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000366560946 446262408 /nfs/dbraw/zinc/26/24/08/446262408.db2.gz SNRPWOBGOIEABF-KRWDZBQOSA-N 0 3 332.404 1.951 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000366609884 446280156 /nfs/dbraw/zinc/28/01/56/446280156.db2.gz QQNIKZXSXUWESV-QGZVFWFLSA-N 0 3 348.447 1.815 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CC[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000375232212 446659483 /nfs/dbraw/zinc/65/94/83/446659483.db2.gz DALYDCBPHUSQKR-YPMHNXCESA-N 0 3 334.376 1.615 20 5 EDBDHN CN1C(=O)N[C@@]2(CCC[C@@H]2CNCc2ccccc2[N+](=O)[O-])C1=O ZINC000371092144 446623515 /nfs/dbraw/zinc/62/35/15/446623515.db2.gz ZFFKNBWKWKVXRB-MLGOLLRUSA-N 0 3 332.360 1.405 20 5 EDBDHN CNC(=O)NC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412052962 446816578 /nfs/dbraw/zinc/81/65/78/446816578.db2.gz GYROWACBEIQTGS-UHFFFAOYSA-N 0 3 349.391 1.317 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)CC[C@H]1C ZINC000421022856 446992705 /nfs/dbraw/zinc/99/27/05/446992705.db2.gz PEUXLQXMHWRKOJ-DGCLKSJQSA-N 0 3 337.376 1.777 20 5 EDBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CCCN(CCCO)C1 ZINC000455330316 447109583 /nfs/dbraw/zinc/10/95/83/447109583.db2.gz JYWZRAGQAVVHPS-LBPRGKRZSA-N 0 3 340.355 1.702 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000368811922 447125102 /nfs/dbraw/zinc/12/51/02/447125102.db2.gz BUZVKKHYJCFQHU-AWEZNQCLSA-N 0 3 339.417 1.762 20 5 EDBDHN CN1CCC[C@@]2(CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1=O ZINC000372493754 447087216 /nfs/dbraw/zinc/08/72/16/447087216.db2.gz IJUQLAPPRKQUMW-WBVHZDCISA-N 0 3 333.388 1.573 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1CCN(CCO)CC1 ZINC000421784011 447249862 /nfs/dbraw/zinc/24/98/62/447249862.db2.gz HCHXAGWXMVSHNJ-UHFFFAOYSA-N 0 3 335.404 1.646 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000372803869 447293236 /nfs/dbraw/zinc/29/32/36/447293236.db2.gz DNWVOAUUMLVGFI-CJNGLKHVSA-N 0 3 335.360 1.699 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425663685 447258961 /nfs/dbraw/zinc/25/89/61/447258961.db2.gz REIOGQYLENPCPM-GOEBONIOSA-N 0 3 332.404 1.873 20 5 EDBDHN CNc1nc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000455999715 447281996 /nfs/dbraw/zinc/28/19/96/447281996.db2.gz XXVZROFLNQEWAJ-WCQYABFASA-N 0 3 333.392 1.588 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)c2ccccc2O1 ZINC000372783296 447283234 /nfs/dbraw/zinc/28/32/34/447283234.db2.gz IUGMITXARHUMAY-LBPRGKRZSA-N 0 3 345.359 1.147 20 5 EDBDHN C[C@H](NCC(=O)NC1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451105342 447684716 /nfs/dbraw/zinc/68/47/16/447684716.db2.gz MHWFQRYASGSEEP-ZDUSSCGKSA-N 0 3 346.431 1.988 20 5 EDBDHN CC(C)[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487964619 447839599 /nfs/dbraw/zinc/83/95/99/447839599.db2.gz PTVFERDRNWMNDJ-MRXNPFEDSA-N 0 3 334.420 1.830 20 5 EDBDHN O=[N+]([O-])c1ccc(-c2noc(NCC3CCN(CCO)CC3)n2)cc1 ZINC000486954061 447826757 /nfs/dbraw/zinc/82/67/57/447826757.db2.gz HXZRRHWCWNCDPI-UHFFFAOYSA-N 0 3 347.375 1.761 20 5 EDBDHN CC(C)(C(=O)NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000514796105 448206155 /nfs/dbraw/zinc/20/61/55/448206155.db2.gz CIKQSYXJRAKAOC-GOSISDBHSA-N 0 3 347.415 1.445 20 5 EDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531885388 448166127 /nfs/dbraw/zinc/16/61/27/448166127.db2.gz UXGBLBLGWPWWPB-CQSZACIVSA-N 0 3 328.372 1.893 20 5 EDBDHN C[C@@H]1CCCC[C@]1(C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000516290745 448408864 /nfs/dbraw/zinc/40/88/64/448408864.db2.gz UTWKUFGHTQAKHI-ZWNOBZJWSA-N 0 3 328.394 1.176 20 5 EDBDHN NC[C@H]1c2ccccc2CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000516292919 448409879 /nfs/dbraw/zinc/40/98/79/448409879.db2.gz LFGKRFCTCCJCEN-KRWDZBQOSA-N 0 3 340.383 1.752 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000577952321 448424619 /nfs/dbraw/zinc/42/46/19/448424619.db2.gz DBQMDUKOSXAVQM-HTQZYQBOSA-N 0 3 335.357 1.147 20 5 EDBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000583449295 448434716 /nfs/dbraw/zinc/43/47/16/448434716.db2.gz GZJIANCXSWQXNR-GFCCVEGCSA-N 0 3 335.408 1.812 20 5 EDBDHN COc1ccc(CNC(=O)[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000591669678 448441316 /nfs/dbraw/zinc/44/13/16/448441316.db2.gz URRJPWRRPWXGQT-JTQLQIEISA-N 0 3 329.303 1.464 20 5 EDBDHN CN1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000591733994 448476538 /nfs/dbraw/zinc/47/65/38/448476538.db2.gz TWPDDBRWWJZKJQ-LBPRGKRZSA-N 0 3 327.406 1.052 20 5 EDBDHN COc1ccc2c(c1)OCC[C@@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591744204 448480217 /nfs/dbraw/zinc/48/02/17/448480217.db2.gz CRPURRFBZJVAQD-DOMZBBRYSA-N 0 3 348.359 1.274 20 5 EDBDHN COCc1nc2n(n1)C[C@H](N[C@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000518215742 448655338 /nfs/dbraw/zinc/65/53/38/448655338.db2.gz ZRJOGHIKHWMECI-RISCZKNCSA-N 0 3 343.387 1.925 20 5 EDBDHN O=C1[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000573835423 448727310 /nfs/dbraw/zinc/72/73/10/448727310.db2.gz OPYXIQREPBTPIE-DUVNUKRYSA-N 0 3 349.387 1.078 20 5 EDBDHN C[C@@]1(CO)CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000545398709 448794094 /nfs/dbraw/zinc/79/40/94/448794094.db2.gz ZYKAMWVNVRHQDE-INIZCTEOSA-N 0 3 335.360 1.740 20 5 EDBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000592430717 448832614 /nfs/dbraw/zinc/83/26/14/448832614.db2.gz CJDCQYRIVBYFQF-XRNSZHNASA-N 0 3 338.282 1.236 20 5 EDBDHN NC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000592482995 448855927 /nfs/dbraw/zinc/85/59/27/448855927.db2.gz QMWDGLVMJDFQLA-UHFFFAOYSA-N 0 3 340.383 1.619 20 5 EDBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860502 448941537 /nfs/dbraw/zinc/94/15/37/448941537.db2.gz GLWJJXYQPLTCEJ-STQMWFEESA-N 0 3 344.371 1.357 20 5 EDBDHN COc1ccc(CC(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1[N+](=O)[O-] ZINC000521897902 449026273 /nfs/dbraw/zinc/02/62/73/449026273.db2.gz KZWAXTMPLIQUPU-UONOGXRCSA-N 0 3 333.388 1.841 20 5 EDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589508362 449026756 /nfs/dbraw/zinc/02/67/56/449026756.db2.gz JIYVQVJEJDCFGU-QWHCGFSZSA-N 0 3 335.360 1.386 20 5 EDBDHN CN1C[C@H]2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C1 ZINC000590012822 449097864 /nfs/dbraw/zinc/09/78/64/449097864.db2.gz ZFOHESSJZRIQOC-OCCSQVGLSA-N 0 3 329.360 1.781 20 5 EDBDHN CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCN(C)C1 ZINC000597945542 449154144 /nfs/dbraw/zinc/15/41/44/449154144.db2.gz HVVKMTPFTGMSHG-CYBMUJFWSA-N 0 3 343.387 1.947 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC1CC[NH2+]CC1 ZINC000593733001 449168202 /nfs/dbraw/zinc/16/82/02/449168202.db2.gz SDEGEXWIORJMMQ-UHFFFAOYSA-N 0 3 343.405 1.271 20 5 EDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(N2CCCOCC2)CC1 ZINC000600006769 449146009 /nfs/dbraw/zinc/14/60/09/449146009.db2.gz FQEJKNQODBLDNS-UHFFFAOYSA-N 0 3 347.415 1.851 20 5 EDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000590399609 449148117 /nfs/dbraw/zinc/14/81/17/449148117.db2.gz KYLYWUNCRZSOAO-CABCVRRESA-N 0 3 337.351 1.669 20 5 EDBDHN O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000597989280 449173324 /nfs/dbraw/zinc/17/33/24/449173324.db2.gz FCHIATRSHAYTNS-AWEZNQCLSA-N 0 3 344.371 1.420 20 5 EDBDHN O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000597989280 449173329 /nfs/dbraw/zinc/17/33/29/449173329.db2.gz FCHIATRSHAYTNS-AWEZNQCLSA-N 0 3 344.371 1.420 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000590589912 449205618 /nfs/dbraw/zinc/20/56/18/449205618.db2.gz STGFCSZPUZGKAJ-DGCLKSJQSA-N 0 3 327.406 1.616 20 5 EDBDHN COc1cc(CCNC(=O)[C@H](N)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000604496096 449238912 /nfs/dbraw/zinc/23/89/12/449238912.db2.gz YPMVIOVPAOGZQF-GFCCVEGCSA-N 0 3 339.392 1.644 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000604563739 449258528 /nfs/dbraw/zinc/25/85/28/449258528.db2.gz DNVIBEBPVRTARN-UHFFFAOYSA-N 0 3 327.344 1.656 20 5 EDBDHN COc1cc(CN2CCN([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611515876 449317962 /nfs/dbraw/zinc/31/79/62/449317962.db2.gz PSSNLKRJAWIEIX-GOEBONIOSA-N 0 3 335.404 1.634 20 5 EDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000593557751 449347956 /nfs/dbraw/zinc/34/79/56/449347956.db2.gz QBAYUVIULKGONZ-RYUDHWBXSA-N 0 3 342.421 1.483 20 5 EDBDHN C[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)N1CCc2ccccc2C1 ZINC000596077902 449352767 /nfs/dbraw/zinc/35/27/67/449352767.db2.gz ZKILJMRFNJISTO-GFCCVEGCSA-N 0 3 327.388 2.431 20 5 EDBDHN CNc1nccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000594281982 449427351 /nfs/dbraw/zinc/42/73/51/449427351.db2.gz LOAGENBPWVFVCI-GFCCVEGCSA-N 0 3 333.392 1.732 20 5 EDBDHN O=[N+]([O-])c1ccc(-c2csc(N3CCN4C[C@H](O)C[C@H]4C3)n2)cc1 ZINC000594604278 449590482 /nfs/dbraw/zinc/59/04/82/449590482.db2.gz VZFWPWMIYNEGAM-UONOGXRCSA-N 0 3 346.412 1.974 20 5 EDBDHN COCCN1CCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602535054 449657487 /nfs/dbraw/zinc/65/74/87/449657487.db2.gz MFUMYPJUMVRMDU-CYBMUJFWSA-N 0 3 334.376 1.936 20 5 EDBDHN CN(C)CCn1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000600993834 449639810 /nfs/dbraw/zinc/63/98/10/449639810.db2.gz OBSWCGGVYGVNLG-UHFFFAOYSA-N 0 3 331.376 1.625 20 5 EDBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915442 449645854 /nfs/dbraw/zinc/64/58/54/449645854.db2.gz LYWRLKDRIJWISH-UFBFGSQYSA-N 0 3 326.328 1.968 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN([C@@H]4CCC[C@@H]4O)CC3)c21 ZINC000612444750 449709720 /nfs/dbraw/zinc/70/97/20/449709720.db2.gz MRGDUSINTSHHOU-HIFRSBDPSA-N 0 3 343.387 1.573 20 5 EDBDHN COc1cnccc1N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601158955 449724486 /nfs/dbraw/zinc/72/44/86/449724486.db2.gz GZXVNLIUPJDXTI-UHFFFAOYSA-N 0 3 333.323 1.859 20 5 EDBDHN COCCN(C)CCN1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000601177924 449735237 /nfs/dbraw/zinc/73/52/37/449735237.db2.gz DWYURYSADIHYQP-CQSZACIVSA-N 0 3 336.392 1.186 20 5 EDBDHN Cn1cc(CNC[C@@H]2COCCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599004257 449691993 /nfs/dbraw/zinc/69/19/93/449691993.db2.gz RMWQIQDSTIUCPD-MRXNPFEDSA-N 0 3 345.403 1.416 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-][C@@H]2CCN3CCCC[C@@H]23)c([N+](=O)[O-])s1 ZINC000601307766 449818140 /nfs/dbraw/zinc/81/81/40/449818140.db2.gz HBQLXZWTYAPRCE-MNOVXSKESA-N 0 3 345.446 1.870 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])s1 ZINC000601307766 449818147 /nfs/dbraw/zinc/81/81/47/449818147.db2.gz HBQLXZWTYAPRCE-MNOVXSKESA-N 0 3 345.446 1.870 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])s1 ZINC000601307766 449818153 /nfs/dbraw/zinc/81/81/53/449818153.db2.gz HBQLXZWTYAPRCE-MNOVXSKESA-N 0 3 345.446 1.870 20 5 EDBDHN O=[N+]([O-])c1ccc(CCNS(=O)(=O)CCCN2CCCC2)cc1 ZINC000601314772 449825257 /nfs/dbraw/zinc/82/52/57/449825257.db2.gz QHTYCIAXUNYKPX-UHFFFAOYSA-N 0 3 341.433 1.543 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000595092693 449866263 /nfs/dbraw/zinc/86/62/63/449866263.db2.gz ZEYPWTGZHMXELT-GFCCVEGCSA-N 0 3 348.403 1.831 20 5 EDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000601422205 449940546 /nfs/dbraw/zinc/94/05/46/449940546.db2.gz PQTXEUKIEQCCET-GHMZBOCLSA-N 0 3 343.405 1.317 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000601405069 449921386 /nfs/dbraw/zinc/92/13/86/449921386.db2.gz PYEBHMLPYDKFGK-PHIMTYICSA-N 0 3 343.380 1.224 20 5 EDBDHN CN(CC1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609143475 449967721 /nfs/dbraw/zinc/96/77/21/449967721.db2.gz YXGUMZGZCJIGNW-UHFFFAOYSA-N 0 3 349.387 1.780 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]CC[C@@H](C)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000601465819 449989234 /nfs/dbraw/zinc/98/92/34/449989234.db2.gz ZNWOFBVTIJGCJF-SNVBAGLBSA-N 0 3 333.385 1.661 20 5 EDBDHN COc1cccc(C(=O)N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000618175661 450040999 /nfs/dbraw/zinc/04/09/99/450040999.db2.gz ZGGKLLOCMSXXTR-UHFFFAOYSA-N 0 3 342.355 1.961 20 5 EDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610177407 450150399 /nfs/dbraw/zinc/15/03/99/450150399.db2.gz KEXLRLVJSMZEKY-SMDDNHRTSA-N 0 3 349.387 1.778 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](CCO)C1 ZINC000610213831 450153652 /nfs/dbraw/zinc/15/36/52/450153652.db2.gz USEZOMPIRDVSJC-ZDUSSCGKSA-N 0 3 349.387 1.987 20 5 EDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000601777440 450233802 /nfs/dbraw/zinc/23/38/02/450233802.db2.gz RYKKCUZUOAERAZ-UHFFFAOYSA-N 0 3 332.364 1.649 20 5 EDBDHN CN1CCC(CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601775621 450231914 /nfs/dbraw/zinc/23/19/14/450231914.db2.gz GOCMQECYMRQLJD-KRWDZBQOSA-N 0 3 335.404 1.650 20 5 EDBDHN Cc1cnc(OCC(=O)NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000610541390 450257473 /nfs/dbraw/zinc/25/74/73/450257473.db2.gz FWSJEHYPSWOJQN-UHFFFAOYSA-N 0 3 334.376 1.420 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC(C2CCOCC2)C1 ZINC000619706026 450311987 /nfs/dbraw/zinc/31/19/87/450311987.db2.gz GWUKULAOOVSNCG-HNNXBMFYSA-N 0 3 336.388 1.693 20 5 EDBDHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130661557 534445274 /nfs/dbraw/zinc/44/52/74/534445274.db2.gz IHOOWMOXOZYJPV-UONOGXRCSA-N 0 3 346.387 1.118 20 5 EDBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000158985432 534573799 /nfs/dbraw/zinc/57/37/99/534573799.db2.gz ZPAUMKDGXYOXOK-ZDUSSCGKSA-N 0 3 329.360 1.712 20 5 EDBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000158985432 534573803 /nfs/dbraw/zinc/57/38/03/534573803.db2.gz ZPAUMKDGXYOXOK-ZDUSSCGKSA-N 0 3 329.360 1.712 20 5 EDBDHN CN(C)C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000345152070 535966971 /nfs/dbraw/zinc/96/69/71/535966971.db2.gz RMASZDOUTRGNMC-LLVKDONJSA-N 0 3 327.406 1.386 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)[C@H](C)OC)cc1[N+](=O)[O-] ZINC000353132581 536476454 /nfs/dbraw/zinc/47/64/54/536476454.db2.gz WDFPZYGWDUUHRK-MNOVXSKESA-N 0 3 326.349 1.660 20 5 EDBDHN C[C@@H]1C[C@H](C)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000740881571 579388062 /nfs/dbraw/zinc/38/80/62/579388062.db2.gz BVPWEYLRUVZAKS-CABCVRRESA-N 0 3 346.431 1.974 20 5 EDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729496374 578577634 /nfs/dbraw/zinc/57/76/34/578577634.db2.gz ACSDZFGAYZVTBH-GJZGRUSLSA-N 0 3 334.376 1.257 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000730077934 578615824 /nfs/dbraw/zinc/61/58/24/578615824.db2.gz JNAOKIQLMLBBFB-AWEZNQCLSA-N 0 3 331.376 1.497 20 5 EDBDHN COC(=O)C[C@@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754516524 579905091 /nfs/dbraw/zinc/90/50/91/579905091.db2.gz KJXRNZDHRLOPEO-ZWNOBZJWSA-N 0 3 335.360 1.853 20 5 EDBDHN Cn1cc(C[C@H]2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000776591273 580423076 /nfs/dbraw/zinc/42/30/76/580423076.db2.gz IRSMELSFZHNFTK-DYVFJYSZSA-N 0 3 330.388 1.926 20 5 EDBDHN CC(C)[C@H]1CN(C)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794634031 580900924 /nfs/dbraw/zinc/90/09/24/580900924.db2.gz QTIRQUNUFKGVOA-CYBMUJFWSA-N 0 3 334.376 1.732 20 5 EDBDHN CNC(=O)[C@@]1(C)CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000797418608 580975218 /nfs/dbraw/zinc/97/52/18/580975218.db2.gz ZIGMIMRJLKBIPN-KRWDZBQOSA-N 0 3 343.387 1.874 20 5 EDBDHN CC(C)(O)CN1CC[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000894861755 591448557 /nfs/dbraw/zinc/44/85/57/591448557.db2.gz ADLXOSWGBXDRPT-LBPRGKRZSA-N 0 3 348.378 1.961 20 5 EDBDHN C[C@@H]1CN(c2ccncc2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000895277118 591697454 /nfs/dbraw/zinc/69/74/54/591697454.db2.gz ZOXQOQULDCUIQJ-CYBMUJFWSA-N 0 3 344.375 1.314 20 5 EDBDHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895369000 591731178 /nfs/dbraw/zinc/73/11/78/591731178.db2.gz LYRYFMHXIKMLAE-UHFFFAOYSA-N 0 3 342.827 1.700 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000905446296 592528219 /nfs/dbraw/zinc/52/82/19/592528219.db2.gz FOYMQJRSELLYEL-ZJUUUORDSA-N 0 3 344.236 1.776 20 5 EDBDHN C[C@@H]1C[C@]2(CC[C@@H](CNC[C@@H](O)c3ccc([N+](=O)[O-])cc3)O2)CO1 ZINC000905484140 592539437 /nfs/dbraw/zinc/53/94/37/592539437.db2.gz GNVWKVYDBFEQKV-VJUNAUMWSA-N 0 3 336.388 1.944 20 5 EDBDHN CCN1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910282192 592820003 /nfs/dbraw/zinc/82/00/03/592820003.db2.gz DLIPMLHMIHVDHT-AWEZNQCLSA-N 0 3 334.420 1.974 20 5 EDBDHN C[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736850006 593041864 /nfs/dbraw/zinc/04/18/64/593041864.db2.gz XNHKKXBILJVYTA-UHFFFAOYSA-N 0 3 332.368 1.314 20 5 EDBDHN C[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736850006 593041866 /nfs/dbraw/zinc/04/18/66/593041866.db2.gz XNHKKXBILJVYTA-UHFFFAOYSA-N 0 3 332.368 1.314 20 5 EDBDHN CC(COC(=O)c1cc2c(nc3ccccn3c2=O)n1C)[N+](=O)[O-] ZINC000813109443 593518159 /nfs/dbraw/zinc/51/81/59/593518159.db2.gz STUBRJXQLQSTPA-SECBINFHSA-N 0 3 330.300 1.008 20 5 EDBDHN CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106620 593518233 /nfs/dbraw/zinc/51/82/33/593518233.db2.gz FHZDRKPVTHEASX-YPMHNXCESA-N 0 3 340.401 1.747 20 5 EDBDHN C[C@@H](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[NH+]1CCCCC1 ZINC000824407058 594004330 /nfs/dbraw/zinc/00/43/30/594004330.db2.gz UWNWFXSJIWYYFT-NSHDSACASA-N 0 3 346.395 1.846 20 5 EDBDHN C[C@@H](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[NH+]1CCCCC1 ZINC000824407058 594004332 /nfs/dbraw/zinc/00/43/32/594004332.db2.gz UWNWFXSJIWYYFT-NSHDSACASA-N 0 3 346.395 1.846 20 5 EDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828041079 594328654 /nfs/dbraw/zinc/32/86/54/594328654.db2.gz OPCPRSKBNPZSTQ-MLGOLLRUSA-N 0 3 335.404 1.817 20 5 EDBDHN COCCN1[C@H](C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000830070591 594329938 /nfs/dbraw/zinc/32/99/38/594329938.db2.gz WQCMXMSUQDTRQV-VBQJREDUSA-N 0 3 337.420 1.669 20 5 EDBDHN CCO[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000831731097 594697232 /nfs/dbraw/zinc/69/72/32/594697232.db2.gz LMNHSJHESDWKCF-CYBMUJFWSA-N 0 3 345.346 1.770 20 5 EDBDHN CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841178151 594864158 /nfs/dbraw/zinc/86/41/58/594864158.db2.gz OIIFLSIGKMCEFC-SNVBAGLBSA-N 0 3 342.783 1.676 20 5 EDBDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000841193588 594866240 /nfs/dbraw/zinc/86/62/40/594866240.db2.gz BANUEHPWGBRRKM-SNVBAGLBSA-N 0 3 340.355 1.615 20 5 EDBDHN CC([C@@H](OC(=O)CCCS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874013 595084864 /nfs/dbraw/zinc/08/48/64/595084864.db2.gz GLAYVWOFRRGKBJ-IINYFYTJSA-N 0 3 347.364 1.900 20 5 EDBDHN CC([C@@H](OC(=O)Cn1ccccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872841 595085019 /nfs/dbraw/zinc/08/50/19/595085019.db2.gz PNNYVKIBBFHXPQ-BDJLRTHQSA-N 0 3 334.303 1.937 20 5 EDBDHN C[NH+](C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000845891669 595089788 /nfs/dbraw/zinc/08/97/88/595089788.db2.gz WRXWOQQSWVYRLL-MNOVXSKESA-N 0 3 328.394 1.141 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000843117596 595290830 /nfs/dbraw/zinc/29/08/30/595290830.db2.gz QZFSBENLLAPGGC-INMHGKMJSA-N 0 3 330.340 1.712 20 5 EDBDHN C[C@H](CN(C)CCn1ccc([N+](=O)[O-])n1)NC(=O)OC(C)(C)C ZINC000860093488 595575855 /nfs/dbraw/zinc/57/58/55/595575855.db2.gz CCTVLYAZNNPEIC-LLVKDONJSA-N 0 3 327.385 1.636 20 5 EDBDHN [NH3+]C[C@H]1CC[C@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857765441 595599734 /nfs/dbraw/zinc/59/97/34/595599734.db2.gz GRMYRAYMJNOFPL-UWVGGRQHSA-N 0 3 329.303 1.810 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000853082015 595659051 /nfs/dbraw/zinc/65/90/51/595659051.db2.gz AYRWAXXRVFQDKQ-GFCCVEGCSA-N 0 3 333.797 1.587 20 5 EDBDHN O=[N+]([O-])c1cn(CN2CC[C@@H](N3CC=CC3)C2)nc1-c1ccccn1 ZINC000853497610 595769295 /nfs/dbraw/zinc/76/92/95/595769295.db2.gz CRCDSDHRTUSPBG-CQSZACIVSA-N 0 3 340.387 1.757 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(N3CCOCC3)CC2)c1 ZINC000859353393 596061580 /nfs/dbraw/zinc/06/15/80/596061580.db2.gz CSCMMXVHMFVFNK-KRWDZBQOSA-N 0 3 335.404 1.425 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@]12COC(=O)N1CCOC2 ZINC000866524719 596241801 /nfs/dbraw/zinc/24/18/01/596241801.db2.gz LYGXUGOEQWLNJM-LRDDRELGSA-N 0 3 335.360 1.775 20 5 EDBDHN CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cn1 ZINC000120236633 596351012 /nfs/dbraw/zinc/35/10/12/596351012.db2.gz SEXZUNCCJYKZBB-UHFFFAOYSA-N 0 3 346.391 1.671 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCNCCC2(C)C)cc([N+](=O)[O-])c1F ZINC000866804031 596356155 /nfs/dbraw/zinc/35/61/55/596356155.db2.gz NPQNULDHIHWMED-UHFFFAOYSA-N 0 3 345.396 1.805 20 5 EDBDHN C[C@@](N)(C(=O)N1CC[C@@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870879794 596387448 /nfs/dbraw/zinc/38/74/48/596387448.db2.gz NVLKNENQWOVHIF-WBVHZDCISA-N 0 3 332.404 1.465 20 5 EDBDHN CN1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC1(C)C ZINC000871156082 596482584 /nfs/dbraw/zinc/48/25/84/596482584.db2.gz NBKZYJMMCUGOTJ-UHFFFAOYSA-N 0 3 335.360 1.880 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCN3C)C2)ccc1[N+](=O)[O-] ZINC000867812736 596564792 /nfs/dbraw/zinc/56/47/92/596564792.db2.gz LUBRANTWCGSMEG-DOMZBBRYSA-N 0 3 339.417 1.618 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000867847543 596584103 /nfs/dbraw/zinc/58/41/03/596584103.db2.gz CCGZZSBCDARKBX-INIZCTEOSA-N 0 3 339.367 1.192 20 5 EDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000865485524 596588057 /nfs/dbraw/zinc/58/80/57/596588057.db2.gz RZJWNQZVFRMTMQ-BDAKNGLRSA-N 0 3 349.313 1.622 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000919636494 697308441 /nfs/dbraw/zinc/30/84/41/697308441.db2.gz WOKMGPGBWUWWFN-TZMCWYRMSA-N 0 3 336.392 1.676 20 5 EDBDHN COCCN1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000920756347 697475536 /nfs/dbraw/zinc/47/55/36/697475536.db2.gz BQIQNYKYBBOHGD-UHFFFAOYSA-N 0 3 338.433 1.992 20 5 EDBDHN COC[C@@](C)(CCO)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177409509 231885811 /nfs/dbraw/zinc/88/58/11/231885811.db2.gz LLWUCTVHMCRGSP-MRXNPFEDSA-N 0 3 339.392 1.609 20 5 EDBDHN NCc1cn([C@H]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)C2)nn1 ZINC000563116575 306319073 /nfs/dbraw/zinc/31/90/73/306319073.db2.gz JITIZMYQYFVQJH-NSHDSACASA-N 0 3 336.377 1.184 20 5 EDBDHN Cc1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000184328910 235368412 /nfs/dbraw/zinc/36/84/12/235368412.db2.gz RBQKOHAUCYOOEC-AWEZNQCLSA-N 0 3 334.420 1.659 20 5 EDBDHN Cc1ccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000067267409 138184601 /nfs/dbraw/zinc/18/46/01/138184601.db2.gz KMVVCAPJBHABKE-AWEZNQCLSA-N 0 3 331.376 1.519 20 5 EDBDHN CNC(=O)c1ccc(N2CC[C@@H](OCCN(C)C)C2)c([N+](=O)[O-])c1 ZINC000352051846 283479339 /nfs/dbraw/zinc/47/93/39/283479339.db2.gz FWAAPIBHNOAORL-CYBMUJFWSA-N 0 3 336.392 1.111 20 5 EDBDHN C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235668964 139026237 /nfs/dbraw/zinc/02/62/37/139026237.db2.gz ALVHZYKJVQUENT-WCBMZHEXSA-N 0 3 333.797 1.667 20 5 EDBDHN COCCNCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237291169 139046736 /nfs/dbraw/zinc/04/67/36/139046736.db2.gz ZGPRPBWZHXXLKT-SNVBAGLBSA-N 0 3 345.783 1.368 20 5 EDBDHN C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)CN1 ZINC000237632309 139056437 /nfs/dbraw/zinc/05/64/37/139056437.db2.gz JJQLSGOOHHELGK-NXEZZACHSA-N 0 3 330.344 1.259 20 5 EDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246989622 139130008 /nfs/dbraw/zinc/13/00/08/139130008.db2.gz UZHOLVHXRKGFIZ-ZIAGYGMSSA-N 0 3 334.420 1.830 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2C[C@@H](N)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000261624891 139212286 /nfs/dbraw/zinc/21/22/86/139212286.db2.gz GONQGFPTGDCGCQ-ZDUSSCGKSA-N 0 3 347.396 1.982 20 5 EDBDHN COCCNCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262163311 139256433 /nfs/dbraw/zinc/25/64/33/139256433.db2.gz SZPLHOOABSRJGD-UHFFFAOYSA-N 0 3 335.282 1.579 20 5 EDBDHN COCCNCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423322772 252045331 /nfs/dbraw/zinc/04/53/31/252045331.db2.gz GYDBNELBPOBNQC-HNNXBMFYSA-N 0 3 333.392 1.243 20 5 EDBDHN CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCN(C)C1 ZINC000153487145 224111430 /nfs/dbraw/zinc/11/14/30/224111430.db2.gz LLBOBBNQXTVKAX-NSHDSACASA-N 0 3 325.340 1.665 20 5 EDBDHN COCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490079626 255078218 /nfs/dbraw/zinc/07/82/18/255078218.db2.gz KUXGNCGBHRVZQE-KBPBESRZSA-N 0 3 340.376 1.072 20 5 EDBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000118127142 221127181 /nfs/dbraw/zinc/12/71/81/221127181.db2.gz OYZXPJXDZGGDTK-AWEZNQCLSA-N 0 3 348.403 1.832 20 5 EDBDHN CCN(CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000118121444 221123020 /nfs/dbraw/zinc/12/30/20/221123020.db2.gz DNXYVZNZOIMIGC-UHFFFAOYSA-N 0 3 334.376 1.442 20 5 EDBDHN CC[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570786972 306550745 /nfs/dbraw/zinc/55/07/45/306550745.db2.gz JFRRLHFXPJIWJV-TZMCWYRMSA-N 0 3 342.417 1.916 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000270434855 140099565 /nfs/dbraw/zinc/09/95/65/140099565.db2.gz GPPIABNHLVOWJK-CHWSQXEVSA-N 0 3 327.381 1.852 20 5 EDBDHN COCCN1CC[C@H](NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000271737390 140341712 /nfs/dbraw/zinc/34/17/12/140341712.db2.gz VLHDTAHBJCBDLR-OLZOCXBDSA-N 0 3 336.392 1.676 20 5 EDBDHN Cc1c(NC(=O)C(=O)NCC2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000271895205 140368806 /nfs/dbraw/zinc/36/88/06/140368806.db2.gz NRUNNEAFSFXGLU-UHFFFAOYSA-N 0 3 332.360 1.220 20 5 EDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000272623097 140486594 /nfs/dbraw/zinc/48/65/94/140486594.db2.gz VBXXDCKNGDRPPT-NWDGAFQWSA-N 0 3 329.360 1.603 20 5 EDBDHN CS[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1N(C)C ZINC000331527733 141043508 /nfs/dbraw/zinc/04/35/08/141043508.db2.gz QOARMHUYHUCDPC-KBPBESRZSA-N 0 3 335.433 1.949 20 5 EDBDHN CS(=O)(=O)C1(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000572357318 306586545 /nfs/dbraw/zinc/58/65/45/306586545.db2.gz OVRGJMXKRAGMIZ-UHFFFAOYSA-N 0 3 341.389 1.090 20 5 EDBDHN CCN1C[C@@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000347695843 143350921 /nfs/dbraw/zinc/35/09/21/143350921.db2.gz ALSHNXSPHWUGPT-QLFBSQMISA-N 0 3 337.420 1.749 20 5 EDBDHN CNS(=O)(=O)CCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000348087693 143399333 /nfs/dbraw/zinc/39/93/33/143399333.db2.gz QXFMHUDWCATPKT-UHFFFAOYSA-N 0 3 329.422 1.745 20 5 EDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc2n[nH]cc2c1 ZINC000353286238 149351831 /nfs/dbraw/zinc/35/18/31/149351831.db2.gz KOJLEMXFJOLPEC-LLVKDONJSA-N 0 3 327.344 1.984 20 5 EDBDHN Cc1ccc([C@H](C)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000358036219 151242790 /nfs/dbraw/zinc/24/27/90/151242790.db2.gz KRRDKZDCSUEJMK-JSGCOSHPSA-N 0 3 341.433 1.978 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000360845785 152227087 /nfs/dbraw/zinc/22/70/87/152227087.db2.gz BTFOTHLKJCYEER-PBHICJAKSA-N 0 3 346.431 1.693 20 5 EDBDHN CC(C)N1CCC[C@@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000369494395 155058469 /nfs/dbraw/zinc/05/84/69/155058469.db2.gz QANACBFNDMAPEL-CQSZACIVSA-N 0 3 335.408 1.828 20 5 EDBDHN O=C(CCN1CCC[C@H]2C(=O)NC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000369515902 155066533 /nfs/dbraw/zinc/06/65/33/155066533.db2.gz KDLCKGJLKJDNFA-BXUZGUMPSA-N 0 3 332.360 1.134 20 5 EDBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CCCN(C2CCOCC2)CC1 ZINC000369549090 155082227 /nfs/dbraw/zinc/08/22/27/155082227.db2.gz KZVGIUGFDUOOFN-UHFFFAOYSA-N 0 3 333.388 1.922 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(Cc3cccc(F)c3)C2)c1 ZINC000372836892 156554318 /nfs/dbraw/zinc/55/43/18/156554318.db2.gz LOHGJTQEEQMRBR-MRXNPFEDSA-N 0 3 334.351 1.466 20 5 EDBDHN O=C(Nc1cccnc1)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000378138498 158089296 /nfs/dbraw/zinc/08/92/96/158089296.db2.gz GARFARYDAHMGNW-UHFFFAOYSA-N 0 3 344.375 1.537 20 5 EDBDHN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CCN1C[C@@H](C)O ZINC000352417913 162171724 /nfs/dbraw/zinc/17/17/24/162171724.db2.gz WBZCUOGPOFWCOM-UKRRQHHQSA-N 0 3 337.420 1.880 20 5 EDBDHN CCN1CCN(CCC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000194646702 273004535 /nfs/dbraw/zinc/00/45/35/273004535.db2.gz VYOYODZFBDAHLP-UHFFFAOYSA-N 0 3 349.435 1.151 20 5 EDBDHN COc1cc(C(=O)NCCCNCc2cccnc2)ccc1[N+](=O)[O-] ZINC000237253468 273008574 /nfs/dbraw/zinc/00/85/74/273008574.db2.gz FNRRGVFMXQMANY-UHFFFAOYSA-N 0 3 344.371 1.908 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284549333 274241357 /nfs/dbraw/zinc/24/13/57/274241357.db2.gz LJSKWCRXNUYALU-INIZCTEOSA-N 0 3 347.375 1.092 20 5 EDBDHN C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000272058371 278329708 /nfs/dbraw/zinc/32/97/08/278329708.db2.gz BQMFRBSNOIZLFJ-OLZOCXBDSA-N 0 3 348.403 1.182 20 5 EDBDHN CN(C)C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000288347413 288465251 /nfs/dbraw/zinc/46/52/51/288465251.db2.gz VZZLGCOKHYAONY-HNNXBMFYSA-N 0 3 349.366 1.740 20 5 EDBDHN CN(CC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000292097850 289260709 /nfs/dbraw/zinc/26/07/09/289260709.db2.gz DTCFEJYZMBPJMP-QGZVFWFLSA-N 0 3 332.404 1.585 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000264655049 302043504 /nfs/dbraw/zinc/04/35/04/302043504.db2.gz ZEWBAQOJFJKATB-LBPRGKRZSA-N 0 3 327.406 1.618 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000261863914 302047874 /nfs/dbraw/zinc/04/78/74/302047874.db2.gz GJDDAEBYUXRSPJ-RYUDHWBXSA-N 0 3 327.406 1.570 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC12CC[NH2+]CC2 ZINC000366356273 302049874 /nfs/dbraw/zinc/04/98/74/302049874.db2.gz GQIWXOPRZBQXRD-LBPRGKRZSA-N 0 3 325.390 1.324 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CCC(O)CC2)CC1 ZINC000295612033 303241565 /nfs/dbraw/zinc/24/15/65/303241565.db2.gz DGKNIRIKBKGEND-UHFFFAOYSA-N 0 3 335.404 1.774 20 5 EDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CCCN(CCCO)C1 ZINC000295634710 303245151 /nfs/dbraw/zinc/24/51/51/303245151.db2.gz ALPNGQNQTXKUAP-HVHJFMEUSA-N 0 3 333.388 1.571 20 5 EDBDHN C[C@H]1CN(c2ccccc2CNCCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000297594469 303417685 /nfs/dbraw/zinc/41/76/85/303417685.db2.gz JLLLKAGZFWMCDY-AWEZNQCLSA-N 0 3 345.403 1.806 20 5 EDBDHN CC(C)(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H](N)c1ccccc1 ZINC000423916535 304915847 /nfs/dbraw/zinc/91/58/47/304915847.db2.gz ZAMUKMBKKBNJQW-CQSZACIVSA-N 0 3 331.376 1.634 20 5 EDBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000433977509 305116326 /nfs/dbraw/zinc/11/63/26/305116326.db2.gz UVZAEGQTBYANNF-WBVHZDCISA-N 0 3 343.387 1.921 20 5 EDBDHN COc1cccc(C(=O)NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000444281113 305245210 /nfs/dbraw/zinc/24/52/10/305245210.db2.gz LIZWIDIEEDQWGV-OAHLLOKOSA-N 0 3 339.417 1.771 20 5 EDBDHN COc1cc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451301715 305337531 /nfs/dbraw/zinc/33/75/31/305337531.db2.gz JJZZYEGFNPVFBC-LZWOXQAQSA-N 0 3 336.388 1.965 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@](O)(C(F)F)C1 ZINC000451424864 305345358 /nfs/dbraw/zinc/34/53/58/305345358.db2.gz GOECHVRYFNWFGH-HNNXBMFYSA-N 0 3 343.330 1.934 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451630449 305357502 /nfs/dbraw/zinc/35/75/02/305357502.db2.gz LQRLSJLAUJKVGW-SLEUVZQESA-N 0 3 348.403 1.566 20 5 EDBDHN O=C(NC[C@H]1CCCN1CCCO)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000452343375 305390192 /nfs/dbraw/zinc/39/01/92/305390192.db2.gz AXOGUYCKUWMBGK-GFCCVEGCSA-N 0 3 347.375 1.048 20 5 EDBDHN COc1cc(C(=O)NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000452347728 305391189 /nfs/dbraw/zinc/39/11/89/305391189.db2.gz JONCHWPFMUVQOG-CYBMUJFWSA-N 0 3 337.376 1.180 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H]1CCCN1CCCO ZINC000452365123 305393220 /nfs/dbraw/zinc/39/32/20/305393220.db2.gz NIYNKXVSLSEHHY-CQSZACIVSA-N 0 3 339.367 1.239 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000457200100 305484290 /nfs/dbraw/zinc/48/42/90/305484290.db2.gz DKGNBPOAILVCKO-UHFFFAOYSA-N 0 3 337.376 1.365 20 5 EDBDHN CCn1nc(C)c(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000515467280 305722561 /nfs/dbraw/zinc/72/25/61/305722561.db2.gz WJSLMEWPJNHLOS-CQSZACIVSA-N 0 3 348.403 1.958 20 5 EDBDHN C[C@H](CN1CCCCC1)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000531149555 305954020 /nfs/dbraw/zinc/95/40/20/305954020.db2.gz SPIIKLSBCTUJKY-LLVKDONJSA-N 0 3 342.421 1.529 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC(=O)N1CCN(C)CC1 ZINC000532216063 305976846 /nfs/dbraw/zinc/97/68/46/305976846.db2.gz RQOZTGZOWPCILF-AWEZNQCLSA-N 0 3 334.420 1.718 20 5 EDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCN2CCC1CC2 ZINC000551652233 306159293 /nfs/dbraw/zinc/15/92/93/306159293.db2.gz GARKYLHRLKBGMX-UHFFFAOYSA-N 0 3 334.376 1.463 20 5 EDBDHN Cc1sc(C(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000104533173 441197047 /nfs/dbraw/zinc/19/70/47/441197047.db2.gz SYCDDQIEVHDDBN-UHFFFAOYSA-N 0 3 328.438 1.530 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000104747972 441204217 /nfs/dbraw/zinc/20/42/17/441204217.db2.gz JUQKXWCSUBMPBW-GFCCVEGCSA-N 0 3 327.406 1.475 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000080961628 441212373 /nfs/dbraw/zinc/21/23/73/441212373.db2.gz VNQSYZVAIYXKJT-ZFWWWQNUSA-N 0 3 346.387 1.937 20 5 EDBDHN CC(C)CN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000065962565 441497066 /nfs/dbraw/zinc/49/70/66/441497066.db2.gz BPIXZOROZIYYNF-UHFFFAOYSA-N 0 3 334.420 1.831 20 5 EDBDHN O=C(NCCN1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000078796118 441972944 /nfs/dbraw/zinc/97/29/44/441972944.db2.gz UAGCYODLWQBTEY-UHFFFAOYSA-N 0 3 329.360 1.606 20 5 EDBDHN C[NH+](C)CC1CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000151721947 442111460 /nfs/dbraw/zinc/11/14/60/442111460.db2.gz XRBKFPLMWNDZMZ-UHFFFAOYSA-N 0 3 341.433 1.994 20 5 EDBDHN CN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151753918 442115616 /nfs/dbraw/zinc/11/56/16/442115616.db2.gz JGTGDYBQGCIPKX-UHFFFAOYSA-N 0 3 330.182 1.578 20 5 EDBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000152920999 442251517 /nfs/dbraw/zinc/25/15/17/442251517.db2.gz ZFWHBYMYIWHWFY-IUODEOHRSA-N 0 3 339.417 1.700 20 5 EDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153308081 442274582 /nfs/dbraw/zinc/27/45/82/442274582.db2.gz FZYMZQYECYOSRT-GFCCVEGCSA-N 0 3 329.422 1.745 20 5 EDBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153901702 442309979 /nfs/dbraw/zinc/30/99/79/442309979.db2.gz VYWLCIUOVMWJTA-AWEZNQCLSA-N 0 3 341.433 1.698 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2Cc3ccccc3C3(CC3)C2)c1 ZINC000186152410 442473863 /nfs/dbraw/zinc/47/38/63/442473863.db2.gz ZHUPRDLRRWAZCG-HNNXBMFYSA-N 0 3 328.372 1.700 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCC1CCN(c2ccncc2)CC1 ZINC000180204942 442558529 /nfs/dbraw/zinc/55/85/29/442558529.db2.gz FRUDAMPTDORVHT-UHFFFAOYSA-N 0 3 344.375 1.219 20 5 EDBDHN CN1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000180148459 442548459 /nfs/dbraw/zinc/54/84/59/442548459.db2.gz WCVFHVVWSJZHNX-RDJZCZTQSA-N 0 3 343.387 1.743 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000191784593 442510991 /nfs/dbraw/zinc/51/09/91/442510991.db2.gz COPFKLNFSIYGJL-XQQFMLRXSA-N 0 3 337.424 1.907 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1C(=O)NCC[C@H]1C ZINC000193583851 442756291 /nfs/dbraw/zinc/75/62/91/442756291.db2.gz QMHFPTDFHPMYTL-ABAIWWIYSA-N 0 3 334.376 1.346 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195316834 443008227 /nfs/dbraw/zinc/00/82/27/443008227.db2.gz ZMIXRTGMUSNOJN-CQSZACIVSA-N 0 3 329.360 1.605 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000184370360 443015867 /nfs/dbraw/zinc/01/58/67/443015867.db2.gz UMIDKJWNDYIFKD-LFAOLKIESA-N 0 3 346.431 1.750 20 5 EDBDHN COCCCN(C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000266136485 443030608 /nfs/dbraw/zinc/03/06/08/443030608.db2.gz FEDIUNNEDQBBDA-UHFFFAOYSA-N 0 3 341.433 1.771 20 5 EDBDHN CNS(=O)(=O)c1ccc(N(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000184788977 443076954 /nfs/dbraw/zinc/07/69/54/443076954.db2.gz KOVJXLXQWNWFEP-UHFFFAOYSA-N 0 3 342.421 1.033 20 5 EDBDHN CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(N)=O ZINC000411763766 319201427 /nfs/dbraw/zinc/20/14/27/319201427.db2.gz ZSWCTGUFZMLVEO-UHFFFAOYSA-N 0 3 338.364 1.129 20 5 EDBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000411984867 319218017 /nfs/dbraw/zinc/21/80/17/319218017.db2.gz NVLYLNKNHSTLOC-HNNXBMFYSA-N 0 3 329.404 1.998 20 5 EDBDHN COC[C@@H](Cc1ccccc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000191505224 443304562 /nfs/dbraw/zinc/30/45/62/443304562.db2.gz XXMRIHJMLQAVMB-QGZVFWFLSA-N 0 3 345.399 1.946 20 5 EDBDHN CC(C)(C)OC1CC(N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272446293 443320441 /nfs/dbraw/zinc/32/04/41/443320441.db2.gz PCEZDVKZXMHDHB-UAOKOLBASA-N 0 3 338.404 1.925 20 5 EDBDHN C[C@]1(F)CNCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420325179 319609515 /nfs/dbraw/zinc/60/95/15/319609515.db2.gz CQTZNTWOXGARQO-HNNXBMFYSA-N 0 3 335.339 1.778 20 5 EDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423698025 319803340 /nfs/dbraw/zinc/80/33/40/319803340.db2.gz MBHDRBGQQLJXDO-GFCCVEGCSA-N 0 3 336.298 1.870 20 5 EDBDHN COCCN(C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273448193 443573856 /nfs/dbraw/zinc/57/38/56/443573856.db2.gz KOSYKSUWTNVASO-UHFFFAOYSA-N 0 3 328.344 1.824 20 5 EDBDHN CCN1C[C@H](N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000449519953 320193915 /nfs/dbraw/zinc/19/39/15/320193915.db2.gz RJYSLKRCDMGSIC-WCQYABFASA-N 0 3 334.376 1.522 20 5 EDBDHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000276603211 443761859 /nfs/dbraw/zinc/76/18/59/443761859.db2.gz RJCFGWPQIQAVHZ-NEPJUHHUSA-N 0 3 349.387 1.661 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000298483623 443779879 /nfs/dbraw/zinc/77/98/79/443779879.db2.gz IYCJKDSZAJMCAF-KGLIPLIRSA-N 0 3 339.417 1.808 20 5 EDBDHN CCCc1n[nH]c(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288265182 443825218 /nfs/dbraw/zinc/82/52/18/443825218.db2.gz GSDRHPNRVHOEBJ-NWDGAFQWSA-N 0 3 335.408 1.969 20 5 EDBDHN CN1CC[C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[C@H]2C1 ZINC000285076460 443846356 /nfs/dbraw/zinc/84/63/56/443846356.db2.gz PODUINYFUZSGHS-HZMBPMFUSA-N 0 3 329.360 1.774 20 5 EDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCN2CCC[C@H]2C1 ZINC000299398105 444037322 /nfs/dbraw/zinc/03/73/22/444037322.db2.gz JQDPVOIQKHOGSD-HNNXBMFYSA-N 0 3 328.372 1.856 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000299292114 444008052 /nfs/dbraw/zinc/00/80/52/444008052.db2.gz NZCQXHZDSUTZPH-CYBMUJFWSA-N 0 3 348.403 1.703 20 5 EDBDHN CCc1ccc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000564966272 321161042 /nfs/dbraw/zinc/16/10/42/321161042.db2.gz DTTGXRDJFJXXIP-SNVBAGLBSA-N 0 3 337.348 1.418 20 5 EDBDHN COc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)c([N+](=O)[O-])cc1F ZINC000294703841 444139605 /nfs/dbraw/zinc/13/96/05/444139605.db2.gz VLIJWIFJIKWBRW-SECBINFHSA-N 0 3 325.340 1.955 20 5 EDBDHN CCN1CCCC[C@@H]1CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301242355 444157279 /nfs/dbraw/zinc/15/72/79/444157279.db2.gz KCFVDJQVSLJEKA-GFCCVEGCSA-N 0 3 331.376 1.889 20 5 EDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295360211 444180554 /nfs/dbraw/zinc/18/05/54/444180554.db2.gz JEYHHJKUVDKFGU-CVEARBPZSA-N 0 3 348.403 1.328 20 5 EDBDHN CC[C@H](C)Oc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000577723087 321676446 /nfs/dbraw/zinc/67/64/46/321676446.db2.gz FAZNREFSOATILK-SWLSCSKDSA-N 0 3 349.391 1.514 20 5 EDBDHN Cc1cc(NCC(=O)N2CCNCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000326385402 444375252 /nfs/dbraw/zinc/37/52/52/444375252.db2.gz ZPPVKHGBMKPXRO-UHFFFAOYSA-N 0 3 329.360 1.295 20 5 EDBDHN CCC(CC)Nc1ccncc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000580978633 322119903 /nfs/dbraw/zinc/11/99/03/322119903.db2.gz GOZRWHPAJNQJAN-UHFFFAOYSA-N 0 3 332.364 1.847 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](n2cccn2)C1 ZINC000342384618 444667960 /nfs/dbraw/zinc/66/79/60/444667960.db2.gz VGWURVPJUSNRRQ-HUUCEWRRSA-N 0 3 346.387 1.868 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](n2cccn2)C1 ZINC000342384620 444668261 /nfs/dbraw/zinc/66/82/61/444668261.db2.gz VGWURVPJUSNRRQ-LSDHHAIUSA-N 0 3 346.387 1.868 20 5 EDBDHN CC[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000341026065 444639708 /nfs/dbraw/zinc/63/97/08/444639708.db2.gz ILMZKKKRXOFLNV-SMDDNHRTSA-N 0 3 335.360 1.596 20 5 EDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCCC1 ZINC000344410259 444949183 /nfs/dbraw/zinc/94/91/83/444949183.db2.gz POJPUGRXRUYFGV-LBPRGKRZSA-N 0 3 338.412 1.039 20 5 EDBDHN C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1ccccc1[N+](=O)[O-] ZINC000341691932 444951307 /nfs/dbraw/zinc/95/13/07/444951307.db2.gz CNXJZGKVYRSQHW-GFCCVEGCSA-N 0 3 346.391 2.236 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@]2(C1)CCCOC2 ZINC000341992520 445111644 /nfs/dbraw/zinc/11/16/44/445111644.db2.gz MXBFBHGLYQUXFB-RHSMWYFYSA-N 0 3 336.388 1.837 20 5 EDBDHN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000348214071 445318102 /nfs/dbraw/zinc/31/81/02/445318102.db2.gz KELTYXOQGQFNES-INIZCTEOSA-N 0 3 332.404 1.726 20 5 EDBDHN [NH3+]C1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000359287204 446122581 /nfs/dbraw/zinc/12/25/81/446122581.db2.gz NVMIXWAWLZGVQQ-UHFFFAOYSA-N 0 3 339.295 1.382 20 5 EDBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369709748 446148785 /nfs/dbraw/zinc/14/87/85/446148785.db2.gz HGEKRXYHBBWMKR-OAHLLOKOSA-N 0 3 343.387 1.524 20 5 EDBDHN Cc1c(C(=O)NC[C@@H]2C[C@H](F)CN2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000366457904 446222372 /nfs/dbraw/zinc/22/23/72/446222372.db2.gz CDARWXFBJFTYHN-UWVGGRQHSA-N 0 3 340.311 1.550 20 5 EDBDHN COc1cc(CN[C@@H](CO)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000362177001 446247964 /nfs/dbraw/zinc/24/79/64/446247964.db2.gz HRKRRNNRPVIOGV-ZDUSSCGKSA-N 0 3 328.340 1.620 20 5 EDBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H]1CNCCO1 ZINC000420277939 446446424 /nfs/dbraw/zinc/44/64/24/446446424.db2.gz IPQBTFFSPPSODC-JTQLQIEISA-N 0 3 327.312 1.311 20 5 EDBDHN C[C@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CN ZINC000420295321 446457263 /nfs/dbraw/zinc/45/72/63/446457263.db2.gz VFQOGDPQRZDUDE-WFASDCNBSA-N 0 3 341.433 1.428 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@](C)(F)C1 ZINC000420331672 446500930 /nfs/dbraw/zinc/50/09/30/446500930.db2.gz IRZSDPDULHSNCX-HNNXBMFYSA-N 0 3 340.355 1.175 20 5 EDBDHN CN1CC[C@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000375029936 446526204 /nfs/dbraw/zinc/52/62/04/446526204.db2.gz IYFDURHCWLTABK-SUMWQHHRSA-N 0 3 344.415 1.510 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000619254651 450435644 /nfs/dbraw/zinc/43/56/44/450435644.db2.gz OMPDMWFBFOIAOL-HNNXBMFYSA-N 0 3 325.340 1.263 20 5 EDBDHN O=C([C@@H]1CN2CCN1CCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000371308406 446763990 /nfs/dbraw/zinc/76/39/90/446763990.db2.gz NYSPMFZKKZBPBB-KRWDZBQOSA-N 0 3 344.415 1.476 20 5 EDBDHN CN1CC[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000371507193 446900589 /nfs/dbraw/zinc/90/05/89/446900589.db2.gz YLLNZFMGMSNLOE-ZFWWWQNUSA-N 0 3 339.417 1.451 20 5 EDBDHN Cc1cc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc([N+](=O)[O-])c1F ZINC000368639268 446998969 /nfs/dbraw/zinc/99/89/69/446998969.db2.gz TVHLKSRMRDPKQB-IUCAKERBSA-N 0 3 335.332 1.021 20 5 EDBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000421295137 447108346 /nfs/dbraw/zinc/10/83/46/447108346.db2.gz HQVXCSOVHVOUFR-LBPRGKRZSA-N 0 3 338.339 1.225 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000421305476 447119916 /nfs/dbraw/zinc/11/99/16/447119916.db2.gz MZRMYAFNBKGBNV-CYBMUJFWSA-N 0 3 348.403 1.703 20 5 EDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000421707223 447227935 /nfs/dbraw/zinc/22/79/35/447227935.db2.gz WZABNGYKIXFHNP-ZDUSSCGKSA-N 0 3 344.375 1.342 20 5 EDBDHN CNc1nc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456043910 447289571 /nfs/dbraw/zinc/28/95/71/447289571.db2.gz KIPQIVLVNYSZRB-AAEUAGOBSA-N 0 3 333.392 1.730 20 5 EDBDHN Cc1nn(C)cc1[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372739095 447259543 /nfs/dbraw/zinc/25/95/43/447259543.db2.gz IDUXKUIOZDBBIW-HIFRSBDPSA-N 0 3 334.380 1.031 20 5 EDBDHN Cc1nc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450406448 447480885 /nfs/dbraw/zinc/48/08/85/447480885.db2.gz HJJJOVPYUWQMOS-GJZGRUSLSA-N 0 3 343.387 1.741 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CCN(C)C)c1 ZINC000420003654 447540353 /nfs/dbraw/zinc/54/03/53/447540353.db2.gz VDSFUAPTFLROIO-MRXNPFEDSA-N 0 3 339.392 1.426 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@]2(CCOC2)C1 ZINC000451904828 447779488 /nfs/dbraw/zinc/77/94/88/447779488.db2.gz BTCTUCNDXJDYIG-PBHICJAKSA-N 0 3 336.388 1.837 20 5 EDBDHN CNc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000530885814 447977491 /nfs/dbraw/zinc/97/74/91/447977491.db2.gz PCZRETRTAOVSAF-HNNXBMFYSA-N 0 3 338.433 1.804 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCCOc3ccccc32)c1 ZINC000576148967 447983162 /nfs/dbraw/zinc/98/31/62/447983162.db2.gz CGPHIRNUBKTVJS-DZGCQCFKSA-N 0 3 332.360 1.656 20 5 EDBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1C ZINC000525543101 448004022 /nfs/dbraw/zinc/00/40/22/448004022.db2.gz YPBPIBMDPAICJN-NWDGAFQWSA-N 0 3 349.387 1.921 20 5 EDBDHN CNc1ccc(C(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000531118908 448023253 /nfs/dbraw/zinc/02/32/53/448023253.db2.gz IMHDQVCAKPFEJB-UHFFFAOYSA-N 0 3 337.424 1.202 20 5 EDBDHN CN(Cc1cc(C(C)(C)C)[nH]n1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577180334 448227988 /nfs/dbraw/zinc/22/79/88/448227988.db2.gz FPOFAQWDBAOFPQ-ZDUSSCGKSA-N 0 3 336.396 1.305 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000591028755 448239660 /nfs/dbraw/zinc/23/96/60/448239660.db2.gz DWZKTWWRMZTIPJ-DOMZBBRYSA-N 0 3 346.387 1.313 20 5 EDBDHN Cc1cc(NC(=O)CCNCCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000566117167 448391626 /nfs/dbraw/zinc/39/16/26/448391626.db2.gz PORZHHFSFYDLFL-UHFFFAOYSA-N 0 3 334.332 1.888 20 5 EDBDHN CNc1nccc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000583943541 448466367 /nfs/dbraw/zinc/46/63/67/448466367.db2.gz MWSKBZIKPYKSDW-NEPJUHHUSA-N 0 3 335.408 2.024 20 5 EDBDHN CCCCn1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)n1 ZINC000516761401 448469148 /nfs/dbraw/zinc/46/91/48/448469148.db2.gz CYKOWTMDNQAXGK-OAHLLOKOSA-N 0 3 336.396 1.247 20 5 EDBDHN NCc1cn([C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)nn1 ZINC000592341036 448798344 /nfs/dbraw/zinc/79/83/44/448798344.db2.gz AGCJXWRYGNAZPP-CYBMUJFWSA-N 0 3 348.338 1.261 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3ccncc3)CC2)n1 ZINC000587029579 448833355 /nfs/dbraw/zinc/83/33/55/448833355.db2.gz DAHSKPYOJXLMHG-UHFFFAOYSA-N 0 3 343.343 1.498 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN2CC[C@H](C)C2)c1F ZINC000574289871 448838664 /nfs/dbraw/zinc/83/86/64/448838664.db2.gz YIKLRKBMMDHOGZ-NSHDSACASA-N 0 3 339.367 1.743 20 5 EDBDHN CS[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H]1N(C)C ZINC000588007934 448856223 /nfs/dbraw/zinc/85/62/23/448856223.db2.gz SONMNWBSSMMNQQ-STQMWFEESA-N 0 3 326.422 1.151 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000592543479 448890461 /nfs/dbraw/zinc/89/04/61/448890461.db2.gz CNJIPXTYIWCADR-SWLSCSKDSA-N 0 3 348.403 1.170 20 5 EDBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000569213788 448980275 /nfs/dbraw/zinc/98/02/75/448980275.db2.gz CRLHTBPBNXEPNV-CYBMUJFWSA-N 0 3 340.767 1.474 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589508352 449026748 /nfs/dbraw/zinc/02/67/48/449026748.db2.gz JIYVQVJEJDCFGU-CHWSQXEVSA-N 0 3 335.360 1.386 20 5 EDBDHN COc1ccc(OCCN2CC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000595608785 449077159 /nfs/dbraw/zinc/07/71/59/449077159.db2.gz WIYQGNNKVBLPDY-CYBMUJFWSA-N 0 3 347.375 1.596 20 5 EDBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593580559 449088201 /nfs/dbraw/zinc/08/82/01/449088201.db2.gz GUCHREBKYHUKIC-UHFFFAOYSA-N 0 3 342.421 1.486 20 5 EDBDHN CCOc1ccc(NC(=O)CN2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000590010822 449096208 /nfs/dbraw/zinc/09/62/08/449096208.db2.gz ZOKMTNZFBQJPRR-MLGOLLRUSA-N 0 3 348.403 1.568 20 5 EDBDHN CN1C[C@@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000590011675 449096578 /nfs/dbraw/zinc/09/65/78/449096578.db2.gz LRQHSOISGNEXLU-XJKSGUPXSA-N 0 3 330.388 1.120 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000593024990 449105962 /nfs/dbraw/zinc/10/59/62/449105962.db2.gz QJGYJCROUZGUMW-STQMWFEESA-N 0 3 335.360 1.515 20 5 EDBDHN CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCN(C)C1 ZINC000597945012 449154122 /nfs/dbraw/zinc/15/41/22/449154122.db2.gz GKBDSDKARMXSBI-MRXNPFEDSA-N 0 3 343.387 1.947 20 5 EDBDHN CN(c1ccccc1)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595827925 449190300 /nfs/dbraw/zinc/19/03/00/449190300.db2.gz SCPNZBMHSALDSY-INIZCTEOSA-N 0 3 342.399 1.967 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000602002847 449271403 /nfs/dbraw/zinc/27/14/03/449271403.db2.gz BMYJRYGDLFAERG-GFCCVEGCSA-N 0 3 328.390 1.531 20 5 EDBDHN COc1ccc(CNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000602078861 449327344 /nfs/dbraw/zinc/32/73/44/449327344.db2.gz AHXQPULTJIHPNE-WFASDCNBSA-N 0 3 335.360 1.083 20 5 EDBDHN CC(C)CN1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596052673 449338532 /nfs/dbraw/zinc/33/85/32/449338532.db2.gz GVCXAZAUMWTEIU-UHFFFAOYSA-N 0 3 342.421 1.020 20 5 EDBDHN Cc1nn(CCC(=O)NC[C@H]2CCN2C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000600470171 449395469 /nfs/dbraw/zinc/39/54/69/449395469.db2.gz GWQYHJFGPYELHJ-OAHLLOKOSA-N 0 3 349.435 1.931 20 5 EDBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@H](O)CN3CCCCC3)c2c1 ZINC000596277006 449452213 /nfs/dbraw/zinc/45/22/13/449452213.db2.gz DSMXPUCRRFEDKY-ZDUSSCGKSA-N 0 3 331.376 1.797 20 5 EDBDHN C[C@@H]1C[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN1C ZINC000598599432 449484488 /nfs/dbraw/zinc/48/44/88/449484488.db2.gz OBWNYFSRTNKGQQ-VXGBXAGGSA-N 0 3 336.396 1.116 20 5 EDBDHN CNc1nccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594417691 449504224 /nfs/dbraw/zinc/50/42/24/449504224.db2.gz FBKUBXJXILFYRL-OLZOCXBDSA-N 0 3 333.392 1.778 20 5 EDBDHN Cc1cc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ncn1 ZINC000602579233 449685291 /nfs/dbraw/zinc/68/52/91/449685291.db2.gz CHNAHGUVHSPAPO-UHFFFAOYSA-N 0 3 328.376 1.847 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCO[C@@H]2CC2(F)F)c1 ZINC000594715783 449643899 /nfs/dbraw/zinc/64/38/99/449643899.db2.gz CNIKDXGSKURGTE-DGCLKSJQSA-N 0 3 332.303 1.348 20 5 EDBDHN CC(C)(C)N1CC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594787711 449695887 /nfs/dbraw/zinc/69/58/87/449695887.db2.gz CUUPJRZJUFUWRA-GFCCVEGCSA-N 0 3 341.433 1.994 20 5 EDBDHN CN(C)CCn1cc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cn1 ZINC000601109750 449695084 /nfs/dbraw/zinc/69/50/84/449695084.db2.gz XUVJDUKOWMIEDR-UHFFFAOYSA-N 0 3 347.301 1.849 20 5 EDBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)nc1-c1ccc(F)cc1 ZINC000599175504 449780457 /nfs/dbraw/zinc/78/04/57/449780457.db2.gz DEBYICPINOCZLZ-CQSZACIVSA-N 0 3 346.362 2.274 20 5 EDBDHN CC[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599181247 449782764 /nfs/dbraw/zinc/78/27/64/449782764.db2.gz UUOIRIMNURDUCQ-DTWKUNHWSA-N 0 3 333.435 1.637 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000602830206 449842026 /nfs/dbraw/zinc/84/20/26/449842026.db2.gz AQTRRJBBKQGNHK-CQSZACIVSA-N 0 3 332.408 1.959 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(OCCO)CCOC1 ZINC000595077919 449857683 /nfs/dbraw/zinc/85/76/83/449857683.db2.gz LAOYNARBBVZQJS-LRDDRELGSA-N 0 3 340.376 1.422 20 5 EDBDHN CN(C)CCCS(=O)(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000601412418 449928964 /nfs/dbraw/zinc/92/89/64/449928964.db2.gz PZLFXOJWEWFCIJ-UHFFFAOYSA-N 0 3 329.422 1.351 20 5 EDBDHN CCc1nn(C)c(N2C[C@@H](SC)[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000614977806 449901986 /nfs/dbraw/zinc/90/19/86/449901986.db2.gz LYHZEGROTSVQDA-CHWSQXEVSA-N 0 3 339.465 1.907 20 5 EDBDHN Cn1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595261385 449984120 /nfs/dbraw/zinc/98/41/20/449984120.db2.gz YPKBRAWXPLHMPL-ZIAGYGMSSA-N 0 3 347.350 1.507 20 5 EDBDHN C[C@H](C(=O)N[C@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000603051362 450035859 /nfs/dbraw/zinc/03/58/59/450035859.db2.gz BHZJPYRVSLCDNJ-RYUDHWBXSA-N 0 3 339.367 1.410 20 5 EDBDHN CN1CCC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000618366884 450175470 /nfs/dbraw/zinc/17/54/70/450175470.db2.gz WTBOMZDFHJMGJN-JTQLQIEISA-N 0 3 332.364 1.365 20 5 EDBDHN CN1CCC[C@H](N2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000618584526 450253305 /nfs/dbraw/zinc/25/33/05/450253305.db2.gz SVLWKFUFZAZGHJ-AWEZNQCLSA-N 0 3 344.419 1.687 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)c2ccccc2O1 ZINC000610761883 450325903 /nfs/dbraw/zinc/32/59/03/450325903.db2.gz KKOUMVSNIOXQBB-CYBMUJFWSA-N 0 3 344.371 1.903 20 5 EDBDHN CC(C)(C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)n1cc([N+](=O)[O-])cn1 ZINC000262288870 534318206 /nfs/dbraw/zinc/31/82/06/534318206.db2.gz VUIJAHJMEBDPMV-LSDHHAIUSA-N 0 3 343.387 1.480 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184386142 534334940 /nfs/dbraw/zinc/33/49/40/534334940.db2.gz CQFZPKZRISAJLT-AWEZNQCLSA-N 0 3 334.420 1.659 20 5 EDBDHN CC(C)CCOC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174736152 527746609 /nfs/dbraw/zinc/74/66/09/527746609.db2.gz AADFUCDXVFMFNU-OAHLLOKOSA-N 0 3 340.424 1.679 20 5 EDBDHN CC(C)N(CCc1nccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000159885445 528917013 /nfs/dbraw/zinc/91/70/13/528917013.db2.gz NYFAKZYSWAKCHK-ZDUSSCGKSA-N 0 3 339.421 1.562 20 5 EDBDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270765777 535820096 /nfs/dbraw/zinc/82/00/96/535820096.db2.gz GPSHMAKPROKEDG-GFCCVEGCSA-N 0 3 337.424 1.959 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000353179239 536476648 /nfs/dbraw/zinc/47/66/48/536476648.db2.gz DKSIXWJWJLIECI-GHMZBOCLSA-N 0 3 326.349 1.396 20 5 EDBDHN CCN1CCCC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732138450 578693210 /nfs/dbraw/zinc/69/32/10/578693210.db2.gz CMJDSWUGEOXWKK-OAHLLOKOSA-N 0 3 345.403 1.935 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000762587630 580078286 /nfs/dbraw/zinc/07/82/86/580078286.db2.gz PZQVUWHJRMKGHI-UHFFFAOYSA-N 0 3 329.784 1.898 20 5 EDBDHN CN(CCN1CCCC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771508573 580288123 /nfs/dbraw/zinc/28/81/23/580288123.db2.gz IJOKBLRWNWQWPB-UHFFFAOYSA-N 0 3 335.389 1.767 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000776590133 580422881 /nfs/dbraw/zinc/42/28/81/580422881.db2.gz YKGPAQWFIAXZPD-RHSMWYFYSA-N 0 3 335.404 1.282 20 5 EDBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796375434 580952484 /nfs/dbraw/zinc/95/24/84/580952484.db2.gz JBOGGBGCFIDAOF-COXVUDFISA-N 0 3 335.404 1.423 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000891838294 590646266 /nfs/dbraw/zinc/64/62/66/590646266.db2.gz OIRXHNYRMVCKMM-UHFFFAOYSA-N 0 3 344.419 1.688 20 5 EDBDHN CC(COC(=O)c1cc2c(cc1Br)OCO2)[N+](=O)[O-] ZINC000857030810 590814617 /nfs/dbraw/zinc/81/46/17/590814617.db2.gz YWWKNVWXJZIQHI-LURJTMIESA-N 0 3 332.106 2.000 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000892145491 590821368 /nfs/dbraw/zinc/82/13/68/590821368.db2.gz SJBZXPLJLQFCGG-OLZOCXBDSA-N 0 3 346.362 1.979 20 5 EDBDHN CCN1CCN(CCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000891757940 591213944 /nfs/dbraw/zinc/21/39/44/591213944.db2.gz XRYPUCZDQYKBIC-UHFFFAOYSA-N 0 3 347.394 1.753 20 5 EDBDHN CN1CCN(C(=O)CCNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892927833 591228238 /nfs/dbraw/zinc/22/82/38/591228238.db2.gz VYGSSOZLTHKDOU-UHFFFAOYSA-N 0 3 340.811 1.502 20 5 EDBDHN CN1C[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000892930037 591228605 /nfs/dbraw/zinc/22/86/05/591228605.db2.gz OAKRYWOBZWQVMP-DYVFJYSZSA-N 0 3 348.403 1.567 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1[N+](=O)[O-] ZINC000897819233 591681896 /nfs/dbraw/zinc/68/18/96/591681896.db2.gz YBSJFTRTOQQMBR-QJOIDAIFSA-N 0 3 348.355 1.412 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@]1(OCCO)CCOC1 ZINC000895338598 591719381 /nfs/dbraw/zinc/71/93/81/591719381.db2.gz SPCHDOQOZUMBBD-AWEZNQCLSA-N 0 3 330.768 1.506 20 5 EDBDHN CCOC(=O)c1cc(N2CCNC[C@H]2CCOC)ccc1[N+](=O)[O-] ZINC000900437882 592017987 /nfs/dbraw/zinc/01/79/87/592017987.db2.gz DREVHUVBKPLGFD-CYBMUJFWSA-N 0 3 337.376 1.586 20 5 EDBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000902641069 592034570 /nfs/dbraw/zinc/03/45/70/592034570.db2.gz URRMUVWLOPPKRU-DLBZAZTESA-N 0 3 345.403 1.433 20 5 EDBDHN COC[C@H]1CNCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000903881912 592361671 /nfs/dbraw/zinc/36/16/71/592361671.db2.gz VGKPHRAXWULBRX-LLVKDONJSA-N 0 3 342.783 1.107 20 5 EDBDHN O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@H](N2CC=CC2)C1 ZINC000794635992 593184674 /nfs/dbraw/zinc/18/46/74/593184674.db2.gz ZKGMTPLQVFFDNA-LBPRGKRZSA-N 0 3 330.344 1.406 20 5 EDBDHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000839468130 593303467 /nfs/dbraw/zinc/30/34/67/593303467.db2.gz PAMKDBQZTCYMFB-ZDUSSCGKSA-N 0 3 348.403 1.832 20 5 EDBDHN CC(C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000839590404 593345681 /nfs/dbraw/zinc/34/56/81/593345681.db2.gz UXILUNZITCASME-UHFFFAOYSA-N 0 3 348.403 1.914 20 5 EDBDHN CN(C[C@H]1CCCN1C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000817373849 593598363 /nfs/dbraw/zinc/59/83/63/593598363.db2.gz OWHUNRUHBASNOL-CQSZACIVSA-N 0 3 330.392 1.837 20 5 EDBDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000815065941 593613043 /nfs/dbraw/zinc/61/30/43/593613043.db2.gz SUYQQUMXUWZTDT-ZDUSSCGKSA-N 0 3 345.446 1.763 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2COC3(CCOCC3)O2)c1 ZINC000819215088 593744529 /nfs/dbraw/zinc/74/45/29/593744529.db2.gz GPACMEVDBZVHBK-CABCVRRESA-N 0 3 338.360 1.140 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1n1cccn1 ZINC000819333783 593751018 /nfs/dbraw/zinc/75/10/18/593751018.db2.gz RWCKZJFTCSNATD-HZMVEIRTSA-N 0 3 346.387 1.833 20 5 EDBDHN COc1ccc(OS(=O)(=O)CCCN2CCCC2)cc1[N+](=O)[O-] ZINC000867180144 594975171 /nfs/dbraw/zinc/97/51/71/594975171.db2.gz TVBSEOKFTZNMLD-UHFFFAOYSA-N 0 3 344.389 1.798 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843428134 595108814 /nfs/dbraw/zinc/10/88/14/595108814.db2.gz GSLAZHIFSBSHNV-LLVKDONJSA-N 0 3 340.811 1.800 20 5 EDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000834569092 595164950 /nfs/dbraw/zinc/16/49/50/595164950.db2.gz IXKBCIDIZNMROP-INIZCTEOSA-N 0 3 339.367 1.571 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)cc1F ZINC000867310088 595229052 /nfs/dbraw/zinc/22/90/52/595229052.db2.gz WMLQILAEEBELGG-ZYHUDNBSSA-N 0 3 345.396 1.755 20 5 EDBDHN O=C(CCNC[C@H](O)c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000843095683 595286442 /nfs/dbraw/zinc/28/64/42/595286442.db2.gz OZEHRNGILLYKOP-HNNXBMFYSA-N 0 3 330.344 1.642 20 5 EDBDHN COc1cc(C(=O)[N-]OC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000846651391 595293780 /nfs/dbraw/zinc/29/37/80/595293780.db2.gz MWZCRNMMZVKALC-UHFFFAOYSA-N 0 3 327.312 1.498 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](N)CCN(C)C)n2)c1 ZINC000844917611 595414310 /nfs/dbraw/zinc/41/43/10/595414310.db2.gz UCVPYEVIUSIPLK-GFCCVEGCSA-N 0 3 335.364 1.529 20 5 EDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000117102220 595531792 /nfs/dbraw/zinc/53/17/92/595531792.db2.gz JECRPONOGIBMFV-ZDUSSCGKSA-N 0 3 331.332 1.004 20 5 EDBDHN C[C@](C[NH3+])([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000857764842 595600002 /nfs/dbraw/zinc/60/00/02/595600002.db2.gz BWNODZILRGTMQB-CYBMUJFWSA-N 0 3 329.303 1.810 20 5 EDBDHN O=C1N(CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]2CCCCN12 ZINC000853118831 595671395 /nfs/dbraw/zinc/67/13/95/595671395.db2.gz RWVXRKIWBYVLJD-CVEARBPZSA-N 0 3 348.403 1.508 20 5 EDBDHN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000860777334 595792188 /nfs/dbraw/zinc/79/21/88/595792188.db2.gz NNTMIEAINDVVGA-ZIBATOQPSA-N 0 3 346.380 1.609 20 5 EDBDHN N=C(COC[C@H]1CCOC1)NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853729591 595865210 /nfs/dbraw/zinc/86/52/10/595865210.db2.gz XTXJKCJQPPVHCN-VIFPVBQESA-N 0 3 345.302 1.925 20 5 EDBDHN COCCN1CCC[C@H]1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000861033455 595870797 /nfs/dbraw/zinc/87/07/97/595870797.db2.gz MERWUZJCCGMNDL-AWEZNQCLSA-N 0 3 338.360 1.628 20 5 EDBDHN C[C@](N)(C(=O)N1CC[C@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870879791 596387377 /nfs/dbraw/zinc/38/73/77/596387377.db2.gz NVLKNENQWOVHIF-DOTOQJQBSA-N 0 3 332.404 1.465 20 5 EDBDHN COCCN(CC1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000869768782 596624235 /nfs/dbraw/zinc/62/42/35/596624235.db2.gz OJONAZATSUUOOM-UHFFFAOYSA-N 0 3 338.408 1.364 20 5 EDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000876469468 597211954 /nfs/dbraw/zinc/21/19/54/597211954.db2.gz CYTZBWGWCSIQHW-INIZCTEOSA-N 0 3 337.376 1.014 20 5 EDBDHN O=C1OCC[C@@H]1CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000873162118 597215402 /nfs/dbraw/zinc/21/54/02/597215402.db2.gz HKTAUYSMAKHWSQ-NSHDSACASA-N 0 3 336.344 1.799 20 5 EDBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1Cc2ccccc2CN1 ZINC000877345829 597497287 /nfs/dbraw/zinc/49/72/87/597497287.db2.gz KOMBDHCJAXTDOS-OAHLLOKOSA-N 0 3 341.367 1.804 20 5 EDBDHN [NH3+]C1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000051693445 214101238 /nfs/dbraw/zinc/10/12/38/214101238.db2.gz JNZPLVNWWHECTD-UHFFFAOYSA-N 0 3 333.797 1.796 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000173741456 231020261 /nfs/dbraw/zinc/02/02/61/231020261.db2.gz RXZHFDGRKWISBK-QGZVFWFLSA-N 0 3 346.387 1.770 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000066223711 215023712 /nfs/dbraw/zinc/02/37/12/215023712.db2.gz GSPGQACWCHXFEU-CYBMUJFWSA-N 0 3 346.387 1.538 20 5 EDBDHN COCCN(C)C[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478457 306299722 /nfs/dbraw/zinc/29/97/22/306299722.db2.gz HNJWCJDCYWGNJZ-DZGCQCFKSA-N 0 3 325.409 1.493 20 5 EDBDHN C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000184233003 235342979 /nfs/dbraw/zinc/34/29/79/235342979.db2.gz WRKXRIAFMVDKGC-CYBMUJFWSA-N 0 3 341.433 1.746 20 5 EDBDHN Cc1c(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000077851381 138255687 /nfs/dbraw/zinc/25/56/87/138255687.db2.gz SSFPSDVYGJHYSD-GFCCVEGCSA-N 0 3 348.403 1.832 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NCCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000077850456 138255707 /nfs/dbraw/zinc/25/57/07/138255707.db2.gz PNGDCAWYNNBIEC-UHFFFAOYSA-N 0 3 348.403 1.834 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@](C)(O)C1 ZINC000124446362 138326596 /nfs/dbraw/zinc/32/65/96/138326596.db2.gz DGFGYSPSYWZPAR-MRXNPFEDSA-N 0 3 337.376 1.779 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@]1(CO)CCc2ccccc21 ZINC000132375217 138375924 /nfs/dbraw/zinc/37/59/24/138375924.db2.gz JWYYNPKAWYITDV-KRWDZBQOSA-N 0 3 329.356 1.180 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC[C@@H]2CCOC2)cc1 ZINC000565888224 306393856 /nfs/dbraw/zinc/39/38/56/306393856.db2.gz IRDPGFVCVAIUNE-CYBMUJFWSA-N 0 3 342.417 1.775 20 5 EDBDHN Cc1c(CN2CCC(C(=O)NCCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000195519284 139019359 /nfs/dbraw/zinc/01/93/59/139019359.db2.gz YRDMKTWTNYGBSQ-UHFFFAOYSA-N 0 3 348.447 1.793 20 5 EDBDHN Cc1c(C(=O)NC[C@@H]2CCN(C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000110650290 220053410 /nfs/dbraw/zinc/05/34/10/220053410.db2.gz RGGFUXGNWDWOMD-NSHDSACASA-N 0 3 336.348 1.801 20 5 EDBDHN CS(=O)(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000237368309 139049376 /nfs/dbraw/zinc/04/93/76/139049376.db2.gz HUDFSULHNDWCRC-UHFFFAOYSA-N 0 3 347.824 1.762 20 5 EDBDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246738905 139119642 /nfs/dbraw/zinc/11/96/42/139119642.db2.gz NVJWNKXEFREBAE-WBVHZDCISA-N 0 3 346.387 1.998 20 5 EDBDHN Cc1nn(CCC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000247470430 139149427 /nfs/dbraw/zinc/14/94/27/139149427.db2.gz RUCVRAFSODLENL-BXUZGUMPSA-N 0 3 337.424 1.597 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000261863887 139232373 /nfs/dbraw/zinc/23/23/73/139232373.db2.gz GJDDAEBYUXRSPJ-NEPJUHHUSA-N 0 3 327.406 1.570 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CC[NH2+]C2)c1C ZINC000262750120 139301002 /nfs/dbraw/zinc/30/10/02/139301002.db2.gz MZSPXXDYSADQOQ-LBPRGKRZSA-N 0 3 327.406 1.490 20 5 EDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173255208 285398671 /nfs/dbraw/zinc/39/86/71/285398671.db2.gz XQRJGEAYPQWPDB-OLZOCXBDSA-N 0 3 341.433 1.946 20 5 EDBDHN CN1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000271024076 140222699 /nfs/dbraw/zinc/22/26/99/140222699.db2.gz VQEIBMVDMLUQDF-UHFFFAOYSA-N 0 3 344.371 1.330 20 5 EDBDHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331961803 141103609 /nfs/dbraw/zinc/10/36/09/141103609.db2.gz BCMBFRAMKARZMC-OWCLPIDISA-N 0 3 349.431 1.893 20 5 EDBDHN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCN(CCn2cccn2)CC1 ZINC000344964972 143032052 /nfs/dbraw/zinc/03/20/52/143032052.db2.gz LWWOLGMEEAMYSV-UHFFFAOYSA-N 0 3 346.391 1.356 20 5 EDBDHN COc1cc(C(=O)N2CC[C@H](N(C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000347176260 143291364 /nfs/dbraw/zinc/29/13/64/143291364.db2.gz SAFVCQNBCUBXQD-YPMHNXCESA-N 0 3 337.376 1.131 20 5 EDBDHN O=C([C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)N1CCNCC1 ZINC000347197960 143293833 /nfs/dbraw/zinc/29/38/33/143293833.db2.gz IIRUBDGFULVFMC-OAHLLOKOSA-N 0 3 332.404 1.239 20 5 EDBDHN CCN(CCO)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000347804972 143365326 /nfs/dbraw/zinc/36/53/26/143365326.db2.gz JDUJEEYQJOLIHZ-UHFFFAOYSA-N 0 3 347.318 1.240 20 5 EDBDHN CN1CC[C@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000416497349 304325583 /nfs/dbraw/zinc/32/55/83/304325583.db2.gz SQYBRTUXOFMCGT-CYBMUJFWSA-N 0 3 327.406 1.008 20 5 EDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000572630667 306596039 /nfs/dbraw/zinc/59/60/39/306596039.db2.gz LCEFFLUZKGHQRL-UONOGXRCSA-N 0 3 332.335 1.639 20 5 EDBDHN CC(C)(C)OC[C@H](O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974940 155261824 /nfs/dbraw/zinc/26/18/24/155261824.db2.gz QQBWIFMCIZRNSN-GXTWGEPZSA-N 0 3 326.397 1.604 20 5 EDBDHN COC(=O)COc1ccc(CN(C[C@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000355762845 150390853 /nfs/dbraw/zinc/39/08/53/150390853.db2.gz UBXOGLQCOPTYKS-LBPRGKRZSA-N 0 3 340.376 1.738 20 5 EDBDHN CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000357913585 151193618 /nfs/dbraw/zinc/19/36/18/151193618.db2.gz ONKYXKNXWBFBPK-KGLIPLIRSA-N 0 3 341.408 1.780 20 5 EDBDHN CN1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000358310433 151332260 /nfs/dbraw/zinc/33/22/60/151332260.db2.gz QXANCQVIXMESKC-LLVKDONJSA-N 0 3 331.170 1.231 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000370091307 155320626 /nfs/dbraw/zinc/32/06/26/155320626.db2.gz BDHYCFYEUVKYPG-UHFFFAOYSA-N 0 3 335.404 1.822 20 5 EDBDHN CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000361377839 152376443 /nfs/dbraw/zinc/37/64/43/152376443.db2.gz KUQJTZNGZSPGRM-HUUCEWRRSA-N 0 3 349.435 1.965 20 5 EDBDHN Cc1ccnc(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000363800579 153059935 /nfs/dbraw/zinc/05/99/35/153059935.db2.gz NOBHANYKCVMCKJ-OAHLLOKOSA-N 0 3 346.391 1.130 20 5 EDBDHN N=C(NO)[C@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000364406892 153229072 /nfs/dbraw/zinc/22/90/72/153229072.db2.gz CEFWDFXXGNNHTA-DGCLKSJQSA-N 0 3 338.364 1.145 20 5 EDBDHN CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2cccnc21 ZINC000365003488 153395639 /nfs/dbraw/zinc/39/56/39/153395639.db2.gz QUENTSZQTWXJEJ-HZPDHXFCSA-N 0 3 345.403 1.947 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1C ZINC000367774800 154263838 /nfs/dbraw/zinc/26/38/38/154263838.db2.gz ABEHPNHUSUEBDS-QWRGUYRKSA-N 0 3 331.369 1.190 20 5 EDBDHN O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CCOC3)CC2)c2nonc21 ZINC000378293026 158131344 /nfs/dbraw/zinc/13/13/44/158131344.db2.gz MJSYXLMHPXPCBB-LLVKDONJSA-N 0 3 333.348 1.796 20 5 EDBDHN Cc1sc(S(=O)(=O)[N-]CC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000122720295 222144973 /nfs/dbraw/zinc/14/49/73/222144973.db2.gz WFGNJRIUNYWIPH-UHFFFAOYSA-N 0 3 335.451 1.831 20 5 EDBDHN CCOc1cc(C(=O)NC[C@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000194724596 273005708 /nfs/dbraw/zinc/00/57/08/273005708.db2.gz KNROQRDHMQZWOY-LLVKDONJSA-N 0 3 337.376 1.826 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000273058448 273026213 /nfs/dbraw/zinc/02/62/13/273026213.db2.gz CSAFRIWGSRTYPP-AWEZNQCLSA-N 0 3 331.376 1.507 20 5 EDBDHN Cc1c(F)cc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000274648568 268176328 /nfs/dbraw/zinc/17/63/28/268176328.db2.gz GRRJDYDGNKNAFS-LLVKDONJSA-N 0 3 345.396 1.615 20 5 EDBDHN CN(C)C1(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000275433402 268341785 /nfs/dbraw/zinc/34/17/85/268341785.db2.gz FQOIXDQQAWAABD-UHFFFAOYSA-N 0 3 341.433 1.541 20 5 EDBDHN COc1ccc(OCCN(C)CC2(O)CCOCC2)c([N+](=O)[O-])c1 ZINC000275508162 268353064 /nfs/dbraw/zinc/35/30/64/268353064.db2.gz HTDDRAWVZUDNTK-UHFFFAOYSA-N 0 3 340.376 1.456 20 5 EDBDHN COc1cc(CN2CCO[C@@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000284904860 274380987 /nfs/dbraw/zinc/38/09/87/274380987.db2.gz SCQWLQRPHGWGMA-LSDHHAIUSA-N 0 3 339.367 1.647 20 5 EDBDHN CN(C)CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000285663664 274610314 /nfs/dbraw/zinc/61/03/14/274610314.db2.gz PXGLEYKTOOVWKP-UHFFFAOYSA-N 0 3 347.375 1.231 20 5 EDBDHN CN(C)CCOC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000356209553 276762519 /nfs/dbraw/zinc/76/25/19/276762519.db2.gz DXPLNOJCORLXAE-UHFFFAOYSA-N 0 3 336.392 1.241 20 5 EDBDHN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420420807 278231110 /nfs/dbraw/zinc/23/11/10/278231110.db2.gz KFBHMIHTRRPQJP-ZETCQYMHSA-N 0 3 341.311 1.629 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)CN1CCCC1 ZINC000055265146 281262137 /nfs/dbraw/zinc/26/21/37/281262137.db2.gz NBINJRXAOUOYSU-LBPRGKRZSA-N 0 3 341.433 1.913 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1OC ZINC000456169530 447314162 /nfs/dbraw/zinc/31/41/62/447314162.db2.gz PKXAZDSMIUAZCV-SMDDNHRTSA-N 0 3 349.387 1.778 20 5 EDBDHN COCCN(C)CCCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296483117 303319903 /nfs/dbraw/zinc/31/99/03/303319903.db2.gz PFMDVFKOESBTOW-ZDUSSCGKSA-N 0 3 338.408 1.923 20 5 EDBDHN COC(=O)Cc1ccc(N2CC[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC000297116034 303360978 /nfs/dbraw/zinc/36/09/78/303360978.db2.gz LZNSWFJNWQXRJM-KGLIPLIRSA-N 0 3 333.388 1.983 20 5 EDBDHN CN(CCCN1CCN(C)CC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297302350 303382898 /nfs/dbraw/zinc/38/28/98/303382898.db2.gz YQJRULLWHOQGJV-UHFFFAOYSA-N 0 3 332.408 1.545 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000439883284 305203177 /nfs/dbraw/zinc/20/31/77/305203177.db2.gz SUXUGDDAOOHNOK-OAHLLOKOSA-N 0 3 338.364 1.182 20 5 EDBDHN CNC(=O)[C@H](CCSC)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449330169 305311753 /nfs/dbraw/zinc/31/17/53/305311753.db2.gz SGIJQCDYCKIIHS-YPMHNXCESA-N 0 3 325.434 1.983 20 5 EDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000449656108 305316286 /nfs/dbraw/zinc/31/62/86/305316286.db2.gz JEMRWMHCVIELJW-NSHDSACASA-N 0 3 331.344 1.800 20 5 EDBDHN NC(=O)c1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451409769 305344401 /nfs/dbraw/zinc/34/44/01/305344401.db2.gz BAKJDKPONAAIRU-SQWLQELKSA-N 0 3 333.388 1.819 20 5 EDBDHN CCOc1ccc(NC(=O)CN2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451631470 305357669 /nfs/dbraw/zinc/35/76/69/305357669.db2.gz NUOYCXORSQBHOF-BLLLJJGKSA-N 0 3 348.403 1.568 20 5 EDBDHN CN(C(=O)CNC1(CO)CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000459687745 305523204 /nfs/dbraw/zinc/52/32/04/305523204.db2.gz BLNPRUOZCIDLRU-UHFFFAOYSA-N 0 3 339.417 1.405 20 5 EDBDHN CO[C@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1OC ZINC000488050116 305555448 /nfs/dbraw/zinc/55/54/48/305555448.db2.gz ITAYHRJVSKDRDM-GJZGRUSLSA-N 0 3 337.376 1.577 20 5 EDBDHN Cn1ccnc1[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000536069266 306019278 /nfs/dbraw/zinc/01/92/78/306019278.db2.gz YIIBCZBWZSFOLM-DZGCQCFKSA-N 0 3 346.387 1.558 20 5 EDBDHN CN1CCNC[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414969367 447378881 /nfs/dbraw/zinc/37/88/81/447378881.db2.gz FFQBSBHHTAZLKT-HNNXBMFYSA-N 0 3 347.444 1.712 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000044670126 440869880 /nfs/dbraw/zinc/86/98/80/440869880.db2.gz CBSVUSSXKIWWJL-CQSZACIVSA-N 0 3 329.360 1.182 20 5 EDBDHN CN(CC(=O)NC1CCN(C2CC2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000046599379 441115175 /nfs/dbraw/zinc/11/51/75/441115175.db2.gz ABQTVVKZFGALSY-UHFFFAOYSA-N 0 3 346.431 1.770 20 5 EDBDHN CCN1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000048882750 441335546 /nfs/dbraw/zinc/33/55/46/441335546.db2.gz DRYGLQFTRBMVLW-UHFFFAOYSA-N 0 3 334.376 1.442 20 5 EDBDHN Cc1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000074137756 441398316 /nfs/dbraw/zinc/39/83/16/441398316.db2.gz NTIDUKKYVXHFJM-CYBMUJFWSA-N 0 3 334.420 1.517 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000108339735 441447481 /nfs/dbraw/zinc/44/74/81/441447481.db2.gz RGMISYWZXMUSCH-ZDUSSCGKSA-N 0 3 343.387 1.852 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000052819996 441476854 /nfs/dbraw/zinc/47/68/54/441476854.db2.gz KZIUFOOLCBCSLJ-UHFFFAOYSA-N 0 3 337.376 1.636 20 5 EDBDHN CN(C)CCOc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000053992836 441552759 /nfs/dbraw/zinc/55/27/59/441552759.db2.gz QPOQUEIIZZMMCV-UHFFFAOYSA-N 0 3 347.375 1.048 20 5 EDBDHN Cc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000041362958 441646994 /nfs/dbraw/zinc/64/69/94/441646994.db2.gz CLGYHEYPDBRJSC-UHFFFAOYSA-N 0 3 334.420 1.661 20 5 EDBDHN COCCN(C)CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000041966760 441689285 /nfs/dbraw/zinc/68/92/85/441689285.db2.gz OEHGEILFTNADCJ-UHFFFAOYSA-N 0 3 341.433 1.771 20 5 EDBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000056168335 441694358 /nfs/dbraw/zinc/69/43/58/441694358.db2.gz WMIAXZTVWICULI-JSGCOSHPSA-N 0 3 344.375 1.138 20 5 EDBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000121727783 441766199 /nfs/dbraw/zinc/76/61/99/441766199.db2.gz AUPNWXBZJQWJDP-UHFFFAOYSA-N 0 3 327.406 1.451 20 5 EDBDHN C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000150974011 441984985 /nfs/dbraw/zinc/98/49/85/441984985.db2.gz KEIQQFSFDMMSMN-OLZOCXBDSA-N 0 3 338.412 1.211 20 5 EDBDHN CCN(C)CCNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000119988509 441988385 /nfs/dbraw/zinc/98/83/85/441988385.db2.gz TYVRANHPOUSABJ-UHFFFAOYSA-N 0 3 347.318 1.886 20 5 EDBDHN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N(C)Cc1ccccc1 ZINC000119993647 441989374 /nfs/dbraw/zinc/98/93/74/441989374.db2.gz RLSWTKPMKRQROZ-LBPRGKRZSA-N 0 3 331.376 1.579 20 5 EDBDHN CC[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000125304267 442007376 /nfs/dbraw/zinc/00/73/76/442007376.db2.gz VXOBDYHBWOEDHP-OAHLLOKOSA-N 0 3 348.403 1.219 20 5 EDBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153672591 442295304 /nfs/dbraw/zinc/29/53/04/442295304.db2.gz YJHIHHMPSYZVNQ-UHFFFAOYSA-N 0 3 344.375 1.702 20 5 EDBDHN CCN1CCN(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134930207 442538343 /nfs/dbraw/zinc/53/83/43/442538343.db2.gz XRPUVKLBATVEHC-UHFFFAOYSA-N 0 3 340.811 1.616 20 5 EDBDHN Cc1cc(S(=O)(=O)NCCCN2CCCC2)cc([N+](=O)[O-])c1F ZINC000179188086 442592444 /nfs/dbraw/zinc/59/24/44/442592444.db2.gz QFMCWLIMYZDMQD-UHFFFAOYSA-N 0 3 345.396 1.807 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](O)[C@@H](C)C1 ZINC000186791991 442612740 /nfs/dbraw/zinc/61/27/40/442612740.db2.gz GEEMDFWAASDDMD-FZMZJTMJSA-N 0 3 337.376 1.635 20 5 EDBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H](N2CCCC2)C1 ZINC000181187405 442683898 /nfs/dbraw/zinc/68/38/98/442683898.db2.gz GSBNFOQKXHUTMY-GFCCVEGCSA-N 0 3 333.344 1.634 20 5 EDBDHN Cc1c([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000193141935 442717128 /nfs/dbraw/zinc/71/71/28/442717128.db2.gz RKTXYMDEVZXLQK-SMDDNHRTSA-N 0 3 334.376 1.727 20 5 EDBDHN C[C@H](N[C@@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000248388969 442888643 /nfs/dbraw/zinc/88/86/43/442888643.db2.gz AGMBKNXXVSUMJP-ZLKJLUDKSA-N 0 3 334.376 1.556 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)c1C ZINC000268272237 442926341 /nfs/dbraw/zinc/92/63/41/442926341.db2.gz SZRGEXCFRZWHLX-FZMZJTMJSA-N 0 3 341.433 1.782 20 5 EDBDHN COc1ccc(CN2CCN(CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000189412025 442945188 /nfs/dbraw/zinc/94/51/88/442945188.db2.gz GKHCKMABTPUIND-CYBMUJFWSA-N 0 3 337.420 1.880 20 5 EDBDHN CN(C)CCNC(=O)c1cccc(CNc2ncc([N+](=O)[O-])s2)c1 ZINC000195512989 443026504 /nfs/dbraw/zinc/02/65/04/443026504.db2.gz MWYGJFSBTNOBAI-UHFFFAOYSA-N 0 3 349.416 1.955 20 5 EDBDHN NC(=O)c1cc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000266127855 443026465 /nfs/dbraw/zinc/02/64/65/443026465.db2.gz CTSFIHLYUAUVFI-GFCCVEGCSA-N 0 3 329.360 1.796 20 5 EDBDHN COC(=O)C1CCN(CCCNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000298673239 318840692 /nfs/dbraw/zinc/84/06/92/318840692.db2.gz QALQRBCVGIOHHF-UHFFFAOYSA-N 0 3 325.369 1.015 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000269031970 443177618 /nfs/dbraw/zinc/17/76/18/443177618.db2.gz ANRMAOSAUFPOAQ-WBVHZDCISA-N 0 3 345.403 1.729 20 5 EDBDHN COc1cc(CCNC(=O)[C@H](N)C(C)C)c([N+](=O)[O-])cc1OC ZINC000269063548 443187592 /nfs/dbraw/zinc/18/75/92/443187592.db2.gz VZTNUUYPZVACKB-CQSZACIVSA-N 0 3 325.365 1.254 20 5 EDBDHN CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(O)c1 ZINC000245430991 443227307 /nfs/dbraw/zinc/22/73/07/443227307.db2.gz NVABUKAZLDQLGW-MLGOLLRUSA-N 0 3 334.376 1.941 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000264357374 443261378 /nfs/dbraw/zinc/26/13/78/443261378.db2.gz IQUHGQWEHQEVHB-CQSZACIVSA-N 0 3 333.388 1.979 20 5 EDBDHN CCN1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3COC)C2)CC1 ZINC000266967753 443305563 /nfs/dbraw/zinc/30/55/63/443305563.db2.gz KNWPGBICJSIMLI-KRWDZBQOSA-N 0 3 348.447 1.957 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000282419706 443333867 /nfs/dbraw/zinc/33/38/67/443333867.db2.gz YNZBQAIUAIDIKM-MAUKXSAKSA-N 0 3 349.431 1.672 20 5 EDBDHN CN1CCC(O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000267090177 443338514 /nfs/dbraw/zinc/33/85/14/443338514.db2.gz KFBDTPVKOCROEE-UHFFFAOYSA-N 0 3 333.344 1.528 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000269573267 443352339 /nfs/dbraw/zinc/35/23/39/443352339.db2.gz IUMVHXZNTHCLKS-CYBMUJFWSA-N 0 3 346.387 1.653 20 5 EDBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272744187 443429434 /nfs/dbraw/zinc/42/94/34/443429434.db2.gz DDAPRKMGUHUYJR-JTQLQIEISA-N 0 3 334.332 1.883 20 5 EDBDHN COCCNCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423317385 319763724 /nfs/dbraw/zinc/76/37/24/319763724.db2.gz AXLDZIFSSFZQRT-OAHLLOKOSA-N 0 3 333.392 1.243 20 5 EDBDHN O=C(CN[C@H]1CCC[C@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279337727 443558635 /nfs/dbraw/zinc/55/86/35/443558635.db2.gz ULZHMGMMMCMTOI-WFASDCNBSA-N 0 3 333.388 1.625 20 5 EDBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286155134 443657831 /nfs/dbraw/zinc/65/78/31/443657831.db2.gz WBKNYGLAXMSVRJ-XOKHGSTOSA-N 0 3 335.404 1.423 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1C[C@@H](OC)C1(C)C ZINC000451495173 320235447 /nfs/dbraw/zinc/23/54/47/320235447.db2.gz KZWOZCFGDFGVDE-UONOGXRCSA-N 0 3 337.376 1.945 20 5 EDBDHN CCN1CCN(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000490856347 320363787 /nfs/dbraw/zinc/36/37/87/320363787.db2.gz OOJNIWLOMKOMML-BQYQJAHWSA-N 0 3 346.431 1.752 20 5 EDBDHN COCCN(CCN(C)C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491521122 320371090 /nfs/dbraw/zinc/37/10/90/320371090.db2.gz RRHNFKHWKAIFAS-FNORWQNLSA-N 0 3 339.367 1.784 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000298425799 443767280 /nfs/dbraw/zinc/76/72/80/443767280.db2.gz PVULFMLAJYNUCR-GFCCVEGCSA-N 0 3 336.348 1.978 20 5 EDBDHN CN1CC[C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[C@@H]2C1 ZINC000285076465 443846377 /nfs/dbraw/zinc/84/63/77/443846377.db2.gz PODUINYFUZSGHS-IINYFYTJSA-N 0 3 329.360 1.774 20 5 EDBDHN COCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000285334113 443945852 /nfs/dbraw/zinc/94/58/52/443945852.db2.gz ULHGKQWWSDORCZ-CMPLNLGQSA-N 0 3 346.391 1.581 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000299337728 444022112 /nfs/dbraw/zinc/02/21/12/444022112.db2.gz NBQCVZLMFYOGKB-UHFFFAOYSA-N 0 3 348.403 1.712 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1NCCCN1CCN(c2ccncc2)CC1 ZINC000299561329 444079962 /nfs/dbraw/zinc/07/99/62/444079962.db2.gz NNJHAWHWSWQISB-UHFFFAOYSA-N 0 3 345.407 1.348 20 5 EDBDHN CCc1ccc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000564966264 321161068 /nfs/dbraw/zinc/16/10/68/321161068.db2.gz DTTGXRDJFJXXIP-JTQLQIEISA-N 0 3 337.348 1.418 20 5 EDBDHN CC(C)N1CCN(CCCn2cc([N+](=O)[O-])cc(F)c2=O)CC1 ZINC000565480001 321188501 /nfs/dbraw/zinc/18/85/01/321188501.db2.gz OKFDSQPCRMDVLB-UHFFFAOYSA-N 0 3 326.372 1.312 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000299712719 444122215 /nfs/dbraw/zinc/12/22/15/444122215.db2.gz QSONYPOUOZNZPZ-TZMCWYRMSA-N 0 3 346.387 1.537 20 5 EDBDHN CN1CCC[C@H](N2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000301745795 444188383 /nfs/dbraw/zinc/18/83/83/444188383.db2.gz OTKBIDKPNCEWPD-ZDUSSCGKSA-N 0 3 339.827 1.859 20 5 EDBDHN COc1ccccc1[C@@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304331545 444247040 /nfs/dbraw/zinc/24/70/40/444247040.db2.gz VGKTVXYEDINJNG-HOCLYGCPSA-N 0 3 346.387 1.998 20 5 EDBDHN CNC(=O)c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000325524028 444366708 /nfs/dbraw/zinc/36/67/08/444366708.db2.gz DMLRLKNGXSFGSN-STQMWFEESA-N 0 3 334.376 1.230 20 5 EDBDHN Cc1ccnc([C@@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000580580841 322070891 /nfs/dbraw/zinc/07/08/91/322070891.db2.gz IYVSVZUQVDPQKW-UKRRQHHQSA-N 0 3 331.376 1.345 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000340878583 444554749 /nfs/dbraw/zinc/55/47/49/444554749.db2.gz JBDANTBNJVTVPK-JOYOIKCWSA-N 0 3 347.824 1.819 20 5 EDBDHN C[C@H](CN(C)C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000343814515 444606683 /nfs/dbraw/zinc/60/66/83/444606683.db2.gz XUBQHMJCHZBWKJ-LLVKDONJSA-N 0 3 331.376 1.921 20 5 EDBDHN Cc1sc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000342518771 444728024 /nfs/dbraw/zinc/72/80/24/444728024.db2.gz WGNGTNYSYFFZRU-KWQFWETISA-N 0 3 333.435 1.535 20 5 EDBDHN CN(CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000338684851 444807250 /nfs/dbraw/zinc/80/72/50/444807250.db2.gz UZKQNHUGXWZNFX-UHFFFAOYSA-N 0 3 345.403 1.775 20 5 EDBDHN COc1cc(C(=O)NCCNc2ccncc2)c([N+](=O)[O-])cc1OC ZINC000341872199 445045323 /nfs/dbraw/zinc/04/53/23/445045323.db2.gz ZGIZTBMBVIQCST-UHFFFAOYSA-N 0 3 346.343 1.271 20 5 EDBDHN Cc1nc(NCCCN2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000348351823 445264988 /nfs/dbraw/zinc/26/49/88/445264988.db2.gz MAXXNIOTCFGZBV-CQSZACIVSA-N 0 3 335.408 1.653 20 5 EDBDHN CCCN(C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000354677965 445337181 /nfs/dbraw/zinc/33/71/81/445337181.db2.gz PBRRZOIRQBXPIO-UHFFFAOYSA-N 0 3 348.403 1.221 20 5 EDBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000355799990 445485414 /nfs/dbraw/zinc/48/54/14/445485414.db2.gz UGXJSZZKILVERP-KRWDZBQOSA-N 0 3 344.371 1.290 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000353779731 445752046 /nfs/dbraw/zinc/75/20/46/445752046.db2.gz PAJACIPSFOVJQH-OCCSQVGLSA-N 0 3 338.360 1.397 20 5 EDBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)N(C)C)cc1 ZINC000356441310 445791282 /nfs/dbraw/zinc/79/12/82/445791282.db2.gz AGOVBUUNUCZGDE-CQSZACIVSA-N 0 3 331.376 1.669 20 5 EDBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)Cc1ccccc1 ZINC000356473328 445809767 /nfs/dbraw/zinc/80/97/67/445809767.db2.gz DRIUHYAHDBKYTK-CYBMUJFWSA-N 0 3 331.376 1.231 20 5 EDBDHN CC[C@H](O)[C@H](CC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000582122510 325780275 /nfs/dbraw/zinc/78/02/75/325780275.db2.gz QNTOYQSEFFVVQV-KBPBESRZSA-N 0 3 330.406 1.508 20 5 EDBDHN Cn1cc([C@@H](O)C[C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000369282347 446046855 /nfs/dbraw/zinc/04/68/55/446046855.db2.gz GPTJTRQJQLDUFE-KGLIPLIRSA-N 0 3 334.380 1.113 20 5 EDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(C)CC1 ZINC000583927853 326166951 /nfs/dbraw/zinc/16/69/51/326166951.db2.gz MUVDCMDVOVERBE-UHFFFAOYSA-N 0 3 327.406 1.605 20 5 EDBDHN Nc1c(C(=O)NC2CCN([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000366203296 446082127 /nfs/dbraw/zinc/08/21/27/446082127.db2.gz RJNNVFVUVFAPTM-LBPRGKRZSA-N 0 3 334.376 1.160 20 5 EDBDHN CN1CCC(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000366234209 446098191 /nfs/dbraw/zinc/09/81/91/446098191.db2.gz DMGNPNBXTGOSOC-UHFFFAOYSA-N 0 3 335.408 1.687 20 5 EDBDHN CN1CCC(n2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC000373233951 446110574 /nfs/dbraw/zinc/11/05/74/446110574.db2.gz ULKTUIBFUUZOOP-UHFFFAOYSA-N 0 3 347.350 2.449 20 5 EDBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@]1(CO)CCOC1 ZINC000359584733 446304977 /nfs/dbraw/zinc/30/49/77/446304977.db2.gz SDTMURDQGSTFFH-QGZVFWFLSA-N 0 3 347.371 1.876 20 5 EDBDHN CCc1cc(NC[C@H]2CNCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420272504 446443902 /nfs/dbraw/zinc/44/39/02/446443902.db2.gz CMWAGLNUNVNEKK-OAHLLOKOSA-N 0 3 343.387 1.436 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@@](C)(F)C1 ZINC000420331673 446500672 /nfs/dbraw/zinc/50/06/72/446500672.db2.gz IRZSDPDULHSNCX-OAHLLOKOSA-N 0 3 340.355 1.175 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375059278 446553306 /nfs/dbraw/zinc/55/33/06/446553306.db2.gz JKWQZRBZWMRONB-FZMZJTMJSA-N 0 3 332.360 1.086 20 5 EDBDHN CN(CC(=O)N1CC[C@H]2CCN(C)[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000376644347 446624650 /nfs/dbraw/zinc/62/46/50/446624650.db2.gz QOQUIXLMOJZJAK-CJNGLKHVSA-N 0 3 332.404 1.584 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000368232158 446725848 /nfs/dbraw/zinc/72/58/48/446725848.db2.gz PYHRGSMWZBBXSL-QLFBSQMISA-N 0 3 336.392 1.186 20 5 EDBDHN COc1ccc(OCCN2CC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC000411943322 446752424 /nfs/dbraw/zinc/75/24/24/446752424.db2.gz QHLZNWZFLBELGY-LBPRGKRZSA-N 0 3 337.376 1.392 20 5 EDBDHN C[NH+](C)C1CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000420722673 446771135 /nfs/dbraw/zinc/77/11/35/446771135.db2.gz FVJFBCLSOJKCFO-UHFFFAOYSA-N 0 3 327.406 1.746 20 5 EDBDHN Cn1c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000424006385 446820119 /nfs/dbraw/zinc/82/01/19/446820119.db2.gz DJDURTJVXMYCOY-QWHCGFSZSA-N 0 3 332.335 1.639 20 5 EDBDHN C[C@@H](CO)N1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000375481248 446833796 /nfs/dbraw/zinc/83/37/96/446833796.db2.gz FDFKOMMURZJQJI-AWEZNQCLSA-N 0 3 335.404 1.443 20 5 EDBDHN Cc1nc([C@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412040611 446804016 /nfs/dbraw/zinc/80/40/16/446804016.db2.gz LTCNFQLQLWACQK-QWHCGFSZSA-N 0 3 347.375 1.251 20 5 EDBDHN Cc1n[nH]c([C@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000412040611 446804022 /nfs/dbraw/zinc/80/40/22/446804022.db2.gz LTCNFQLQLWACQK-QWHCGFSZSA-N 0 3 347.375 1.251 20 5 EDBDHN Cc1nnc([C@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412040611 446804029 /nfs/dbraw/zinc/80/40/29/446804029.db2.gz LTCNFQLQLWACQK-QWHCGFSZSA-N 0 3 347.375 1.251 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000377121591 446935120 /nfs/dbraw/zinc/93/51/20/446935120.db2.gz WHBYTODYQUTLLN-GFCCVEGCSA-N 0 3 334.376 1.759 20 5 EDBDHN CNc1nc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454743391 446960941 /nfs/dbraw/zinc/96/09/41/446960941.db2.gz PNZCLKUHEAWQHO-NWDGAFQWSA-N 0 3 335.408 1.882 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000368595583 446968654 /nfs/dbraw/zinc/96/86/54/446968654.db2.gz SWSIEKVZBUOEKH-IAQYHMDHSA-N 0 3 337.351 1.665 20 5 EDBDHN CNc1nc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454983340 447019642 /nfs/dbraw/zinc/01/96/42/447019642.db2.gz AVAVICSPVWMTEN-VXGBXAGGSA-N 0 3 335.408 1.882 20 5 EDBDHN C[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000442881973 446987641 /nfs/dbraw/zinc/98/76/41/446987641.db2.gz OTGIOOXZMAXZDJ-RISCZKNCSA-N 0 3 335.360 1.596 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375830853 447087294 /nfs/dbraw/zinc/08/72/94/447087294.db2.gz LJZIJCMBMWVLNZ-GOEBONIOSA-N 0 3 332.404 1.873 20 5 EDBDHN O=C(CN1CC[C@@H](c2nc[nH]n2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000425527899 447211981 /nfs/dbraw/zinc/21/19/81/447211981.db2.gz BMIKXWOMFZQZPZ-GFCCVEGCSA-N 0 3 342.359 1.092 20 5 EDBDHN COc1cnccc1N1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450499895 447508273 /nfs/dbraw/zinc/50/82/73/447508273.db2.gz JXSDUPPSOSSAGW-UHFFFAOYSA-N 0 3 330.348 1.423 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000416493837 447624551 /nfs/dbraw/zinc/62/45/51/447624551.db2.gz GOZKGUNVIIIMPT-LBPRGKRZSA-N 0 3 327.406 1.442 20 5 EDBDHN COC(=O)NCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496735766 447867468 /nfs/dbraw/zinc/86/74/68/447867468.db2.gz QTVZCRPMPIHEDL-ZANVPECISA-N 0 3 328.296 1.821 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N(CCN1CCCC1)c1ccccc1 ZINC000523542822 447891424 /nfs/dbraw/zinc/89/14/24/447891424.db2.gz LJBRRRPJJXMFOS-UHFFFAOYSA-N 0 3 343.387 1.920 20 5 EDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)CC1 ZINC000532089103 448199417 /nfs/dbraw/zinc/19/94/17/448199417.db2.gz ZBTMLIJDDFGMJN-CQSZACIVSA-N 0 3 349.435 1.174 20 5 EDBDHN NS(=O)(=O)c1c(NC2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000515579051 448329971 /nfs/dbraw/zinc/32/99/71/448329971.db2.gz OPBOIGCIQREVKY-UHFFFAOYSA-N 0 3 340.405 1.281 20 5 EDBDHN CN(C)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])Cc1ccccc1 ZINC000584061117 448469862 /nfs/dbraw/zinc/46/98/62/448469862.db2.gz AYKUMULIROWBIV-ZDUSSCGKSA-N 0 3 343.387 1.475 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000591985429 448611254 /nfs/dbraw/zinc/61/12/54/448611254.db2.gz NGNKFSAMAKMZEQ-SECBINFHSA-N 0 3 327.772 1.199 20 5 EDBDHN COc1cc(CCNC(=O)[C@H]2NCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000591938932 448591140 /nfs/dbraw/zinc/59/11/40/448591140.db2.gz LXXZCBVXIUYXRE-CQSZACIVSA-N 0 3 337.376 1.269 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(C)CC1 ZINC000521421788 448982207 /nfs/dbraw/zinc/98/22/07/448982207.db2.gz RUZPRJUMQTWNCK-UHFFFAOYSA-N 0 3 348.447 1.969 20 5 EDBDHN C[C@@H](C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000592872336 449029341 /nfs/dbraw/zinc/02/93/41/449029341.db2.gz LVOBZQSKIXBUOC-OLZOCXBDSA-N 0 3 348.403 1.277 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000590337690 449134301 /nfs/dbraw/zinc/13/43/01/449134301.db2.gz MPHAFBDJZIYMRZ-MRXNPFEDSA-N 0 3 337.376 1.132 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000590012024 449096411 /nfs/dbraw/zinc/09/64/11/449096411.db2.gz OATXZNFWFANRCX-JSGCOSHPSA-N 0 3 329.360 1.781 20 5 EDBDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593596273 449096784 /nfs/dbraw/zinc/09/67/84/449096784.db2.gz ZVGPVCXEPHCPOJ-WCQYABFASA-N 0 3 340.405 1.237 20 5 EDBDHN COC(=O)[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593132447 449147788 /nfs/dbraw/zinc/14/77/88/449147788.db2.gz WMQBIVMTQXRFOS-UONOGXRCSA-N 0 3 347.371 1.325 20 5 EDBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@]1(O)CCCOC1)OCCO2 ZINC000593691419 449149450 /nfs/dbraw/zinc/14/94/50/449149450.db2.gz ZLROPHIEVNDHCG-MRXNPFEDSA-N 0 3 338.360 1.387 20 5 EDBDHN CCCN1CC[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000595808836 449179740 /nfs/dbraw/zinc/17/97/40/449179740.db2.gz XUWFPUVHJJWRBN-ZDUSSCGKSA-N 0 3 335.408 1.790 20 5 EDBDHN COc1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000590632605 449229101 /nfs/dbraw/zinc/22/91/01/449229101.db2.gz JXKCQKPQEJXDHZ-NSHDSACASA-N 0 3 337.351 1.957 20 5 EDBDHN COc1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000604511222 449241675 /nfs/dbraw/zinc/24/16/75/449241675.db2.gz HKZCHIQQJJBRSX-UHFFFAOYSA-N 0 3 333.348 1.614 20 5 EDBDHN Cc1cc(=O)n(C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000601955009 449243305 /nfs/dbraw/zinc/24/33/05/449243305.db2.gz LHLMGJWQRGBIOX-GOSISDBHSA-N 0 3 343.383 1.702 20 5 EDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCCN(C)C1=O ZINC000601970941 449252917 /nfs/dbraw/zinc/25/29/17/449252917.db2.gz RFRIQSACJPQYRN-OAHLLOKOSA-N 0 3 348.403 1.866 20 5 EDBDHN C[C@@H](NCCCN1CCCS1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000611335582 449265612 /nfs/dbraw/zinc/26/56/12/449265612.db2.gz RDGLHOVGWJDRSV-GFCCVEGCSA-N 0 3 327.406 1.671 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000598343121 449358288 /nfs/dbraw/zinc/35/82/88/449358288.db2.gz SWMJIAGHQBCAMM-LLVKDONJSA-N 0 3 335.360 1.580 20 5 EDBDHN CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598536663 449452813 /nfs/dbraw/zinc/45/28/13/449452813.db2.gz VRXJWGQBLOSFSO-GXTWGEPZSA-N 0 3 343.387 1.993 20 5 EDBDHN C[NH+](C)CCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594744756 449662208 /nfs/dbraw/zinc/66/22/08/449662208.db2.gz OJLFAIRIGOBCKY-UHFFFAOYSA-N 0 3 338.389 1.373 20 5 EDBDHN CN(C)CC1(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000598905087 449641614 /nfs/dbraw/zinc/64/16/14/449641614.db2.gz IZZMJSVNOUZYQX-UHFFFAOYSA-N 0 3 349.391 1.317 20 5 EDBDHN CCN(C)C(=O)[C@H](C)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602645092 449726118 /nfs/dbraw/zinc/72/61/18/449726118.db2.gz OHOABKZVPJGJFX-LBPRGKRZSA-N 0 3 335.408 1.415 20 5 EDBDHN CN1CCN(CC2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000599107589 449740634 /nfs/dbraw/zinc/74/06/34/449740634.db2.gz MDOOZYATFFDBBN-UHFFFAOYSA-N 0 3 330.392 1.155 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]CCC[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000601292505 449803432 /nfs/dbraw/zinc/80/34/32/449803432.db2.gz OTNGILVYTVJRJP-UHFFFAOYSA-N 0 3 345.396 1.807 20 5 EDBDHN CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000602872277 449880881 /nfs/dbraw/zinc/88/08/81/449880881.db2.gz BQEUEJJHVPCBNX-HNNXBMFYSA-N 0 3 334.420 1.856 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC23CC(C2)C[NH2+]3)cc1C ZINC000595127875 449886728 /nfs/dbraw/zinc/88/67/28/449886728.db2.gz SMBSPVCLTIECRY-UHFFFAOYSA-N 0 3 325.390 1.242 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ccc(F)cn3)CC2)c1 ZINC000602905348 449910301 /nfs/dbraw/zinc/91/03/01/449910301.db2.gz RJJRSZLNLWASHJ-HNNXBMFYSA-N 0 3 349.366 1.566 20 5 EDBDHN CO[C@@H](CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCOC1 ZINC000595291981 450006434 /nfs/dbraw/zinc/00/64/34/450006434.db2.gz YYWBTCMYAQQLBH-PBHICJAKSA-N 0 3 335.404 1.768 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H]1N(C)C ZINC000615297050 450052177 /nfs/dbraw/zinc/05/21/77/450052177.db2.gz NITSHTHJSQCRSS-CHWSQXEVSA-N 0 3 327.406 1.664 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCN(c3ccncc3)CC2)n1 ZINC000603081550 450054996 /nfs/dbraw/zinc/05/49/96/450054996.db2.gz BQZDHPAOPJNWGS-UHFFFAOYSA-N 0 3 344.375 1.559 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000599574038 450076709 /nfs/dbraw/zinc/07/67/09/450076709.db2.gz MPTLASATLGCSOT-GDBMZVCRSA-N 0 3 331.376 1.678 20 5 EDBDHN COc1ccc([C@@H](NCCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cn1 ZINC000599701218 450164518 /nfs/dbraw/zinc/16/45/18/450164518.db2.gz RZDDEWDLFRLWSL-KRWDZBQOSA-N 0 3 344.371 1.901 20 5 EDBDHN COc1c(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000597695540 450202326 /nfs/dbraw/zinc/20/23/26/450202326.db2.gz UAIJQTIEVUYYPF-UKRRQHHQSA-N 0 3 349.387 1.539 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C1 ZINC000618924248 450342856 /nfs/dbraw/zinc/34/28/56/450342856.db2.gz SETWJEQXTKIEFL-QGZVFWFLSA-N 0 3 346.387 1.605 20 5 EDBDHN COc1c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000619439839 450473607 /nfs/dbraw/zinc/47/36/07/450473607.db2.gz PSCNZQCQZPKRJX-CYBMUJFWSA-N 0 3 349.387 1.587 20 5 EDBDHN COc1ccc(NC(=O)CN(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000186795889 534074769 /nfs/dbraw/zinc/07/47/69/534074769.db2.gz UBUYSEYWAINSDR-UHFFFAOYSA-N 0 3 336.392 1.568 20 5 EDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000184194725 534887988 /nfs/dbraw/zinc/88/79/88/534887988.db2.gz RXYKHSBBYWXBKB-GFCCVEGCSA-N 0 3 339.417 1.499 20 5 EDBDHN CCN1CCN([C@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000154159331 529152439 /nfs/dbraw/zinc/15/24/39/529152439.db2.gz PJQBVGRRZQOHBH-ROUUACIJSA-N 0 3 348.447 1.340 20 5 EDBDHN Cc1c(NC(=O)C(=O)NCCN2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000743978709 579496139 /nfs/dbraw/zinc/49/61/39/579496139.db2.gz NIEWXSUKZLOHFA-LLVKDONJSA-N 0 3 334.376 1.442 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000725897723 578302300 /nfs/dbraw/zinc/30/23/00/578302300.db2.gz UKAJCHVAJZRZMB-KBPBESRZSA-N 0 3 345.355 1.934 20 5 EDBDHN Cc1nn(CCC(=O)NC[C@@H](C)N2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000726527089 578347878 /nfs/dbraw/zinc/34/78/78/578347878.db2.gz GQLKSYOQGWWYJW-GFCCVEGCSA-N 0 3 337.424 1.789 20 5 EDBDHN CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(C2CC2)C1 ZINC000732190485 578696329 /nfs/dbraw/zinc/69/63/29/578696329.db2.gz YZQYUNAVOAWIQG-MRXNPFEDSA-N 0 3 342.403 1.979 20 5 EDBDHN CCC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736479243 578992366 /nfs/dbraw/zinc/99/23/66/578992366.db2.gz FWJFXLPCILJOMX-UHFFFAOYSA-N 0 3 346.395 1.704 20 5 EDBDHN CCC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736479243 578992367 /nfs/dbraw/zinc/99/23/67/578992367.db2.gz FWJFXLPCILJOMX-UHFFFAOYSA-N 0 3 346.395 1.704 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(C(N)=O)CCCC1 ZINC000746472841 579596780 /nfs/dbraw/zinc/59/67/80/579596780.db2.gz PHIVANQYJFLWPT-UHFFFAOYSA-N 0 3 334.376 1.620 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCN1C ZINC000778290127 580461003 /nfs/dbraw/zinc/46/10/03/580461003.db2.gz RVMLZMVZTHWLCT-SCZZXKLOSA-N 0 3 335.389 1.812 20 5 EDBDHN NC(=O)C1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCC1 ZINC000782515978 580576672 /nfs/dbraw/zinc/57/66/72/580576672.db2.gz NVKKGGFENUFKOG-UHFFFAOYSA-N 0 3 338.339 1.450 20 5 EDBDHN COc1ccc(NC(=O)CCN2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000782635157 580581432 /nfs/dbraw/zinc/58/14/32/580581432.db2.gz UFLBYPZFNCBRMI-MEDUHNTESA-N 0 3 335.360 1.246 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000785801231 580653751 /nfs/dbraw/zinc/65/37/51/580653751.db2.gz QJVMBZSIXKDDAW-STQMWFEESA-N 0 3 334.376 1.230 20 5 EDBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796375436 580952512 /nfs/dbraw/zinc/95/25/12/580952512.db2.gz JBOGGBGCFIDAOF-KBRIMQKVSA-N 0 3 335.404 1.423 20 5 EDBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801815681 581085506 /nfs/dbraw/zinc/08/55/06/581085506.db2.gz HWMHOZTUXFTIKI-UHFFFAOYSA-N 0 3 328.344 1.014 20 5 EDBDHN COc1c(O)ccc(CNCCN2CCCOCC2)c1[N+](=O)[O-] ZINC000894470194 591320862 /nfs/dbraw/zinc/32/08/62/591320862.db2.gz FEXLUSZLYNJKQK-UHFFFAOYSA-N 0 3 325.365 1.121 20 5 EDBDHN CN(C)CCCS(=O)(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000866948437 591383261 /nfs/dbraw/zinc/38/32/61/591383261.db2.gz IWXBCJZONGIZHG-UHFFFAOYSA-N 0 3 335.813 1.619 20 5 EDBDHN C[C@H]1CN(c2ccncc2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000895278193 591699057 /nfs/dbraw/zinc/69/90/57/591699057.db2.gz PYQFQBHTPACETM-LBPRGKRZSA-N 0 3 329.360 1.679 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(N2CC[C@H]3[C@@H]2CCCN3CCO)cc1F ZINC000897219251 591773117 /nfs/dbraw/zinc/77/31/17/591773117.db2.gz JXOGDRFJRJVHJA-KBPBESRZSA-N 0 3 339.367 1.262 20 5 EDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(CNC2CCN(C)CC2)nn1 ZINC000900515345 592042558 /nfs/dbraw/zinc/04/25/58/592042558.db2.gz ICVKOBHBPHWOLY-ZDUSSCGKSA-N 0 3 344.419 1.979 20 5 EDBDHN COc1cc([C@@H](C)N[C@H](C)CN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903092529 592122068 /nfs/dbraw/zinc/12/20/68/592122068.db2.gz LCYQAKBUWSOQSV-ZIAGYGMSSA-N 0 3 336.436 1.890 20 5 EDBDHN CN1CCC[C@](O)(CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000901218408 592292419 /nfs/dbraw/zinc/29/24/19/592292419.db2.gz MCXSBXNJCGAHMB-KRWDZBQOSA-N 0 3 333.388 1.326 20 5 EDBDHN COCC1(CNCC[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000905254641 592478627 /nfs/dbraw/zinc/47/86/27/592478627.db2.gz DXLLYENTGLFCCE-UHFFFAOYSA-N 0 3 331.413 1.516 20 5 EDBDHN C[C@@H]1C[C@]2(CC[C@H](CNC[C@@H](O)c3ccc([N+](=O)[O-])cc3)O2)CO1 ZINC000905484137 592539374 /nfs/dbraw/zinc/53/93/74/592539374.db2.gz GNVWKVYDBFEQKV-BASLNEPJSA-N 0 3 336.388 1.944 20 5 EDBDHN CN(C)C1(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC000910929981 592901875 /nfs/dbraw/zinc/90/18/75/592901875.db2.gz DYCWBHQTKAJRJS-UHFFFAOYSA-N 0 3 335.360 1.580 20 5 EDBDHN CS[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000867020293 593182493 /nfs/dbraw/zinc/18/24/93/593182493.db2.gz GXNGCKDQOWXMSP-QWHCGFSZSA-N 0 3 341.408 1.780 20 5 EDBDHN C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CN1C1CC1 ZINC000811811694 593483262 /nfs/dbraw/zinc/48/32/62/593483262.db2.gz DEJMIVYBHGSPCO-UWVGGRQHSA-N 0 3 332.360 1.963 20 5 EDBDHN CC(=O)N[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1c(F)cccc1F ZINC000813102408 593517462 /nfs/dbraw/zinc/51/74/62/593517462.db2.gz REWNXMGZYXYALI-PRHODGIISA-N 0 3 330.287 1.741 20 5 EDBDHN CC(COC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[N+](=O)[O-] ZINC000813099792 593517558 /nfs/dbraw/zinc/51/75/58/593517558.db2.gz CYJHZPKPNCWGHO-MNOVXSKESA-N 0 3 344.389 1.249 20 5 EDBDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813105344 593517844 /nfs/dbraw/zinc/51/78/44/593517844.db2.gz LZAQDQMVPWZUEF-QWHCGFSZSA-N 0 3 329.397 1.663 20 5 EDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000817679596 593623142 /nfs/dbraw/zinc/62/31/42/593623142.db2.gz UPAJJDXOBHLJRY-JTQLQIEISA-N 0 3 335.389 1.766 20 5 EDBDHN COCCOc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000818962247 593730477 /nfs/dbraw/zinc/73/04/77/593730477.db2.gz ZIKFCQVQECOCAA-INIZCTEOSA-N 0 3 347.371 1.838 20 5 EDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@H](C)N(C)C ZINC000822456742 594051561 /nfs/dbraw/zinc/05/15/61/594051561.db2.gz CJLIVWYKVZOZNC-QMMMGPOBSA-N 0 3 342.783 1.887 20 5 EDBDHN C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000825466928 594189734 /nfs/dbraw/zinc/18/97/34/594189734.db2.gz KGPMCCFFIRMPRE-CJNGLKHVSA-N 0 3 335.404 1.865 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000828149206 594351793 /nfs/dbraw/zinc/35/17/93/594351793.db2.gz FZFMGEMQDFRIQH-UHFFFAOYSA-N 0 3 325.340 1.311 20 5 EDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826938167 594605655 /nfs/dbraw/zinc/60/56/55/594605655.db2.gz RXXVXCCRDQRDFO-VNQPRFMTSA-N 0 3 333.388 1.713 20 5 EDBDHN CCO[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])CN(C)C ZINC000831719380 594695896 /nfs/dbraw/zinc/69/58/96/594695896.db2.gz RLBXLZZNOVAZBC-CYBMUJFWSA-N 0 3 337.420 1.955 20 5 EDBDHN C[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000833426856 594846426 /nfs/dbraw/zinc/84/64/26/594846426.db2.gz RNZFHSFXYDMLLW-CXAGYDPISA-N 0 3 347.415 1.961 20 5 EDBDHN CC([C@H](OC(=O)CCc1cnn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845883258 595087545 /nfs/dbraw/zinc/08/75/45/595087545.db2.gz REOMFPCSKAPTQZ-BONVTDFDSA-N 0 3 336.323 1.837 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000842480065 595116329 /nfs/dbraw/zinc/11/63/29/595116329.db2.gz OKAZUDKWNAFUPN-ZJUUUORDSA-N 0 3 347.824 1.962 20 5 EDBDHN CCOc1cc(COC(=O)C2CCCN(C)C2=O)ccc1[N+](=O)[O-] ZINC000837959550 595242843 /nfs/dbraw/zinc/24/28/43/595242843.db2.gz OGNLDTAQMOXZFK-GFCCVEGCSA-N 0 3 336.344 1.905 20 5 EDBDHN COC(=O)[C@H]1CNCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843122469 595292696 /nfs/dbraw/zinc/29/26/96/595292696.db2.gz DAOIRSOYHHBKCX-CYBMUJFWSA-N 0 3 327.768 1.585 20 5 EDBDHN N[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000850593735 595543231 /nfs/dbraw/zinc/54/32/31/595543231.db2.gz ZEOOVPAWNDNTAO-RKDXNWHRSA-N 0 3 337.760 1.308 20 5 EDBDHN [NH3+]C1(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000857766016 595600871 /nfs/dbraw/zinc/60/08/71/595600871.db2.gz XBHYQBZFMMQJFD-UHFFFAOYSA-N 0 3 329.303 1.954 20 5 EDBDHN CN(Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CCN(C2CC2)C1 ZINC000853496376 595768469 /nfs/dbraw/zinc/76/84/69/595768469.db2.gz QZMAUODTSFLLHT-AWEZNQCLSA-N 0 3 342.403 1.979 20 5 EDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)[N+](=O)[O-] ZINC000860777540 595792050 /nfs/dbraw/zinc/79/20/50/595792050.db2.gz PYBRYYUGAFAZIH-RKDXNWHRSA-N 0 3 328.271 1.526 20 5 EDBDHN C[C@H]1CO[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000851416988 595799711 /nfs/dbraw/zinc/79/97/11/595799711.db2.gz VZZGCYZTSWPCEJ-ARLBYUKCSA-N 0 3 334.372 1.484 20 5 EDBDHN CO[C@@H](CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCOC1 ZINC000851714157 595894496 /nfs/dbraw/zinc/89/44/96/595894496.db2.gz FILOINGUYBOYNH-YOEHRIQHSA-N 0 3 335.404 1.768 20 5 EDBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCN1CC[C@H](O)C1 ZINC000858867926 595909958 /nfs/dbraw/zinc/90/99/58/595909958.db2.gz SVGNQZVRYZGPBH-LBPRGKRZSA-N 0 3 336.348 1.030 20 5 EDBDHN Cc1ccc(S(=O)(=O)N[C@H]2CNCCC2(F)F)c(C)c1[N+](=O)[O-] ZINC000857232690 596193886 /nfs/dbraw/zinc/19/38/86/596193886.db2.gz IYSIUEYGJDHENI-NSHDSACASA-N 0 3 349.359 1.487 20 5 EDBDHN C[C@](N)(C(=O)N1CC[C@H](N2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870884534 596389167 /nfs/dbraw/zinc/38/91/67/596389167.db2.gz ZPURIPAFYAVGPD-FUHWJXTLSA-N 0 3 346.431 1.856 20 5 EDBDHN CN(C)CCN1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865441368 596576403 /nfs/dbraw/zinc/57/64/03/596576403.db2.gz PRLPTLXFBAYLGR-UHFFFAOYSA-N 0 3 340.399 1.664 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000869777238 596628192 /nfs/dbraw/zinc/62/81/92/596628192.db2.gz CDLZWGZVBGULRD-ZDUSSCGKSA-N 0 3 349.431 1.834 20 5 EDBDHN CCN1CCN(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865792173 596684974 /nfs/dbraw/zinc/68/49/74/596684974.db2.gz QVISMTINLSFHEB-UHFFFAOYSA-N 0 3 338.383 1.030 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874007551 596896652 /nfs/dbraw/zinc/89/66/52/596896652.db2.gz CSLLLSQQXPNRMW-UHFFFAOYSA-N 0 3 348.447 1.969 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000874094944 596925382 /nfs/dbraw/zinc/92/53/82/596925382.db2.gz KHHJWAHRUYLFEY-UHFFFAOYSA-N 0 3 348.403 1.784 20 5 EDBDHN COCCN(CCN(C)C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000876171716 597119823 /nfs/dbraw/zinc/11/98/23/597119823.db2.gz NWAAWNFPYSLGDW-UHFFFAOYSA-N 0 3 338.408 1.623 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000873100983 597194896 /nfs/dbraw/zinc/19/48/96/597194896.db2.gz KVZUVXGYGQARBX-XJKSGUPXSA-N 0 3 335.404 1.937 20 5 EDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000874842088 597194912 /nfs/dbraw/zinc/19/49/12/597194912.db2.gz GGSYZYFBZYWJEZ-GJZGRUSLSA-N 0 3 343.387 1.640 20 5 EDBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)c1ccccc1 ZINC000880461572 597939096 /nfs/dbraw/zinc/93/90/96/597939096.db2.gz ISRAKVLAHNHUMF-MRXNPFEDSA-N 0 3 331.372 1.812 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)c2ccco2)CC1 ZINC000939914680 700034710 /nfs/dbraw/zinc/03/47/10/700034710.db2.gz OEYPALXRIBXZMT-UHFFFAOYSA-N 0 3 347.375 1.706 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067134630 215116862 /nfs/dbraw/zinc/11/68/62/215116862.db2.gz GQPUTENXCTXNHZ-AWEZNQCLSA-N 0 3 344.375 1.390 20 5 EDBDHN CCCN1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000115158640 138311030 /nfs/dbraw/zinc/31/10/30/138311030.db2.gz APSWNAVCISEGQG-UHFFFAOYSA-N 0 3 348.403 1.269 20 5 EDBDHN C[C@]1(O)CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000129621537 223075281 /nfs/dbraw/zinc/07/52/81/223075281.db2.gz GOFJVRIUKIVBRO-HNNXBMFYSA-N 0 3 325.340 1.909 20 5 EDBDHN O=[N+]([O-])c1cc(CNC2(CO)CCOCC2)ccc1Br ZINC000227214392 139022229 /nfs/dbraw/zinc/02/22/29/139022229.db2.gz NZTLFGQLNXXGMO-UHFFFAOYSA-N 0 3 345.193 1.988 20 5 EDBDHN CCS(=O)(=O)N1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000237031347 139038587 /nfs/dbraw/zinc/03/85/87/139038587.db2.gz NUPKWWRTLQYDRX-UHFFFAOYSA-N 0 3 327.406 1.499 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000261462088 139208512 /nfs/dbraw/zinc/20/85/12/139208512.db2.gz UBNOTIIOUABXJM-AWEZNQCLSA-N 0 3 347.419 1.150 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[NH2+][C@H](C)C2)cc1C ZINC000262486889 139281775 /nfs/dbraw/zinc/28/17/75/139281775.db2.gz KMFAKBSUGJJQTC-NEPJUHHUSA-N 0 3 327.406 1.630 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262812762 139305455 /nfs/dbraw/zinc/30/54/55/139305455.db2.gz YMCVLJBRGLUHSJ-NXEZZACHSA-N 0 3 347.824 1.833 20 5 EDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262866236 139309066 /nfs/dbraw/zinc/30/90/66/139309066.db2.gz UOISUUWITKVDJB-VHSXEESVSA-N 0 3 330.344 1.671 20 5 EDBDHN COc1cc(C[NH2+]C2CCC(NC(C)=O)CC2)c([N+](=O)[O-])cc1[O-] ZINC000263679165 139352242 /nfs/dbraw/zinc/35/22/42/139352242.db2.gz MAYZUHJSZJYVNF-UHFFFAOYSA-N 0 3 337.376 1.846 20 5 EDBDHN CO[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1OC ZINC000488002627 255040055 /nfs/dbraw/zinc/04/00/55/255040055.db2.gz OSILLBYYLMKSLU-HUUCEWRRSA-N 0 3 337.376 1.577 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000154657432 224285694 /nfs/dbraw/zinc/28/56/94/224285694.db2.gz PYUDWIXAPCRPMG-CYBMUJFWSA-N 0 3 330.772 1.682 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119337172 221297729 /nfs/dbraw/zinc/29/77/29/221297729.db2.gz OUJIXROEIAPZCU-GXTWGEPZSA-N 0 3 348.403 1.640 20 5 EDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119469001 221326835 /nfs/dbraw/zinc/32/68/35/221326835.db2.gz CFZALFPQYMZZHX-FZMZJTMJSA-N 0 3 334.376 1.332 20 5 EDBDHN CCN(C)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)OC ZINC000271562810 140311736 /nfs/dbraw/zinc/31/17/36/140311736.db2.gz ADYSQIQYSZAFOF-UHFFFAOYSA-N 0 3 346.409 1.140 20 5 EDBDHN CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCN(C)CC1 ZINC000332499631 141191625 /nfs/dbraw/zinc/19/16/25/141191625.db2.gz QWFCTQWYAIFPDB-UHFFFAOYSA-N 0 3 349.387 1.461 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000339411287 142040787 /nfs/dbraw/zinc/04/07/87/142040787.db2.gz OQJRDHAERRHQJE-HNNXBMFYSA-N 0 3 347.375 1.395 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344764670 143009076 /nfs/dbraw/zinc/00/90/76/143009076.db2.gz CARHNMGUYBAZGP-CYBMUJFWSA-N 0 3 349.435 1.823 20 5 EDBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cs1 ZINC000345691616 143121992 /nfs/dbraw/zinc/12/19/92/143121992.db2.gz JGENFGMAFIXHOP-DGCLKSJQSA-N 0 3 346.430 1.482 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000346260971 143184518 /nfs/dbraw/zinc/18/45/18/143184518.db2.gz LOKFILMZMABHIF-RWMBFGLXSA-N 0 3 335.408 1.614 20 5 EDBDHN CO[C@H]1C[C@H](CN2CCCC2)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000347908504 143377964 /nfs/dbraw/zinc/37/79/64/143377964.db2.gz WMLIGLKZSQKLGZ-KGLIPLIRSA-N 0 3 348.403 1.383 20 5 EDBDHN COc1cc(OCC(=O)N[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000357384617 151014713 /nfs/dbraw/zinc/01/47/13/151014713.db2.gz FLPZGFYDWYYIJC-VXGBXAGGSA-N 0 3 337.376 1.581 20 5 EDBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1)N(C)C ZINC000357853709 151173473 /nfs/dbraw/zinc/17/34/73/151173473.db2.gz CNJGDRARXXKJTR-SUMWQHHRSA-N 0 3 345.403 1.907 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000370049943 155301798 /nfs/dbraw/zinc/30/17/98/155301798.db2.gz LYLSMIBLKGCZMZ-CZUORRHYSA-N 0 3 332.404 1.868 20 5 EDBDHN C[C@H](C(=O)NC[C@@]1(O)CCN(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000358055439 151249790 /nfs/dbraw/zinc/24/97/90/151249790.db2.gz MEVHDRIEFZVIFN-BONVTDFDSA-N 0 3 325.340 1.020 20 5 EDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000370079627 155315249 /nfs/dbraw/zinc/31/52/49/155315249.db2.gz FPENMLCAZSYTFV-DVOMOZLQSA-N 0 3 332.404 1.948 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000361004821 152276416 /nfs/dbraw/zinc/27/64/16/152276416.db2.gz OOSYOZUIGMKTFP-TZMCWYRMSA-N 0 3 339.779 1.841 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000367824306 154285968 /nfs/dbraw/zinc/28/59/68/154285968.db2.gz QPEXLTWLPXEOGB-ZDUSSCGKSA-N 0 3 341.389 1.024 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3c[nH]cn3)CC2)c1 ZINC000374202166 157190922 /nfs/dbraw/zinc/19/09/22/157190922.db2.gz ZWVQUXVZKQOKNX-HNNXBMFYSA-N 0 3 346.387 1.937 20 5 EDBDHN CN(Cc1c([N+](=O)[O-])ncn1C)C1CCN(CCn2cccn2)CC1 ZINC000377956142 158038581 /nfs/dbraw/zinc/03/85/81/158038581.db2.gz RDMRGEGBWZGQOC-UHFFFAOYSA-N 0 3 347.423 1.121 20 5 EDBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000366121864 162369886 /nfs/dbraw/zinc/36/98/86/162369886.db2.gz YICUXRIVGAITGT-UHFFFAOYSA-N 0 3 348.403 1.755 20 5 EDBDHN CCN(CC)Cc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000058097602 287233358 /nfs/dbraw/zinc/23/33/58/287233358.db2.gz WZFHKGDMBWFBMZ-UHFFFAOYSA-N 0 3 332.364 1.667 20 5 EDBDHN NC(=O)C1(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000123237479 222240064 /nfs/dbraw/zinc/24/00/64/222240064.db2.gz FSSKENOUCYFXSK-CYBMUJFWSA-N 0 3 337.376 1.112 20 5 EDBDHN O=C(c1n[n-]cc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000154436351 287643941 /nfs/dbraw/zinc/64/39/41/287643941.db2.gz VRHOFOXTBTVUJQ-LBPRGKRZSA-N 0 3 337.380 1.035 20 5 EDBDHN CN(c1ncc([N+](=O)[O-])cn1)C1CCN(CCn2cccn2)CC1 ZINC000273612522 268064867 /nfs/dbraw/zinc/06/48/67/268064867.db2.gz MGNQSJKTYSPXLV-UHFFFAOYSA-N 0 3 331.380 1.182 20 5 EDBDHN CCN(CCO)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000274566662 268160451 /nfs/dbraw/zinc/16/04/51/268160451.db2.gz QHSZEPYVGXRIKN-UHFFFAOYSA-N 0 3 338.408 1.217 20 5 EDBDHN COc1cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c([N+](=O)[O-])cc1[O-] ZINC000280342687 268944185 /nfs/dbraw/zinc/94/41/85/268944185.db2.gz RPRCIMWHNVTLNC-CMPLNLGQSA-N 0 3 326.349 1.044 20 5 EDBDHN C[C@H]1COCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000277452710 273199557 /nfs/dbraw/zinc/19/95/57/273199557.db2.gz MBANCSMSWSHCSX-FZMZJTMJSA-N 0 3 328.390 1.383 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)C(=O)N1CCCC1 ZINC000281453385 273475563 /nfs/dbraw/zinc/47/55/63/273475563.db2.gz DKIHGJAHAQHKHS-OLZOCXBDSA-N 0 3 348.403 1.912 20 5 EDBDHN CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000284201480 274114701 /nfs/dbraw/zinc/11/47/01/274114701.db2.gz SNBFDPOGTXSHNO-UONOGXRCSA-N 0 3 340.405 1.980 20 5 EDBDHN CO[C@@H]1C[C@@H](CO)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000284547260 274240728 /nfs/dbraw/zinc/24/07/28/274240728.db2.gz HOCKYWXICYTYNR-UONOGXRCSA-N 0 3 337.376 1.313 20 5 EDBDHN O=C1CC[C@@H](N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450895050 275017688 /nfs/dbraw/zinc/01/76/88/275017688.db2.gz WQLSZSSMLBTWOP-CYBMUJFWSA-N 0 3 336.367 1.525 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN(C[C@@H]4CCOC4)CC3)c21 ZINC000347427829 275039638 /nfs/dbraw/zinc/03/96/38/275039638.db2.gz YBLRHPQMKQJXNI-ZDUSSCGKSA-N 0 3 343.387 1.697 20 5 EDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151740732 279161157 /nfs/dbraw/zinc/16/11/57/279161157.db2.gz ABPTVZVUWFETEJ-GFCCVEGCSA-N 0 3 329.422 1.745 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@@H](CO)CC[C@@H]1CO ZINC000287214862 288182816 /nfs/dbraw/zinc/18/28/16/288182816.db2.gz FCXYKSYGNRBONK-ZIAGYGMSSA-N 0 3 337.376 1.049 20 5 EDBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCNCC1 ZINC000178891560 280502027 /nfs/dbraw/zinc/50/20/27/280502027.db2.gz XRXZOOPFBRDKQA-UHFFFAOYSA-N 0 3 333.797 1.541 20 5 EDBDHN O=C([C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287496758 288251126 /nfs/dbraw/zinc/25/11/26/288251126.db2.gz TVAJVZYERUKHAP-GOEBONIOSA-N 0 3 333.388 1.573 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420462484 304760878 /nfs/dbraw/zinc/76/08/78/304760878.db2.gz HTXWQFUZJKYJKL-QWRGUYRKSA-N 0 3 343.405 1.399 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C[NH3+])C1CCCC1 ZINC000192028319 302048039 /nfs/dbraw/zinc/04/80/39/302048039.db2.gz HNWLRMFSFVVSNX-LBPRGKRZSA-N 0 3 327.406 1.699 20 5 EDBDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000295615082 303242173 /nfs/dbraw/zinc/24/21/73/303242173.db2.gz OBDPNANQEJSWQG-KGLIPLIRSA-N 0 3 349.387 1.905 20 5 EDBDHN CCN1CC[C@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000295660683 303248958 /nfs/dbraw/zinc/24/89/58/303248958.db2.gz HXXXIWMHQQATQB-LSDHHAIUSA-N 0 3 331.376 1.771 20 5 EDBDHN Cc1cc(NC2CCN(CC(N)=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302213294 303718507 /nfs/dbraw/zinc/71/85/07/303718507.db2.gz ZGKREPLOVKBBRR-UHFFFAOYSA-N 0 3 343.387 1.813 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)n1 ZINC000427508661 304992946 /nfs/dbraw/zinc/99/29/46/304992946.db2.gz DKCUSXPOVNGZDR-CQSZACIVSA-N 0 3 345.403 1.714 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-]C[C@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000430380738 305052057 /nfs/dbraw/zinc/05/20/57/305052057.db2.gz SDTPAXGFVDCSLZ-CQSZACIVSA-N 0 3 341.433 1.960 20 5 EDBDHN Cc1cc(OCC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000432197254 305088809 /nfs/dbraw/zinc/08/88/09/305088809.db2.gz XGOITRYCJCSXTF-SWLSCSKDSA-N 0 3 333.388 1.881 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000441238011 305219361 /nfs/dbraw/zinc/21/93/61/305219361.db2.gz XRLPWHVHCQRLOX-GXTWGEPZSA-N 0 3 347.419 1.931 20 5 EDBDHN CC[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000449173710 305308767 /nfs/dbraw/zinc/30/87/67/305308767.db2.gz GLWBNLHVEWMXQP-HIFRSBDPSA-N 0 3 335.404 1.753 20 5 EDBDHN COc1cc(C(=O)N[C@H]2CNCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000449655485 305316296 /nfs/dbraw/zinc/31/62/96/305316296.db2.gz HDKYECWEVPAJKG-LBPRGKRZSA-N 0 3 345.302 1.339 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451499641 305349703 /nfs/dbraw/zinc/34/97/03/305349703.db2.gz NQMNLNGAIDZNJO-KGLIPLIRSA-N 0 3 337.376 1.945 20 5 EDBDHN CCc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000452357763 305392303 /nfs/dbraw/zinc/39/23/03/305392303.db2.gz FKXCSNXISVKYID-HNNXBMFYSA-N 0 3 335.404 1.734 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452367682 305393420 /nfs/dbraw/zinc/39/34/20/305393420.db2.gz PYMMCHIYJZUWET-LBPRGKRZSA-N 0 3 346.387 1.653 20 5 EDBDHN CNc1nc(C(=O)NC[C@@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000455874967 305447861 /nfs/dbraw/zinc/44/78/61/305447861.db2.gz MGICWRROPXGATH-AWEZNQCLSA-N 0 3 339.421 1.199 20 5 EDBDHN COc1ccc(NC(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000415430678 447431815 /nfs/dbraw/zinc/43/18/15/447431815.db2.gz CTNPGUVNVJMEKT-ONGXEEELSA-N 0 3 338.364 1.838 20 5 EDBDHN C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(C)C1CC1 ZINC000057709474 441128857 /nfs/dbraw/zinc/12/88/57/441128857.db2.gz OKHSEGBYHAATQI-GFCCVEGCSA-N 0 3 343.387 1.993 20 5 EDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000081729352 441305923 /nfs/dbraw/zinc/30/59/23/441305923.db2.gz BLHPSSJVIXUARV-WFASDCNBSA-N 0 3 348.403 1.123 20 5 EDBDHN CN(C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000065769782 441483317 /nfs/dbraw/zinc/48/33/17/441483317.db2.gz OVAVGDNAHGFUQR-OAHLLOKOSA-N 0 3 345.403 1.471 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074747859 441462884 /nfs/dbraw/zinc/46/28/84/441462884.db2.gz OQSYPAQRAWSCON-UHFFFAOYSA-N 0 3 335.408 1.289 20 5 EDBDHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000032072882 441544677 /nfs/dbraw/zinc/54/46/77/441544677.db2.gz RPUJUHFQFJBXAJ-NSHDSACASA-N 0 3 345.421 1.612 20 5 EDBDHN CN(C)CCOc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000056891128 441755686 /nfs/dbraw/zinc/75/56/86/441755686.db2.gz HOKLILVVLYWBPY-UHFFFAOYSA-N 0 3 347.375 1.048 20 5 EDBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000115585731 441762059 /nfs/dbraw/zinc/76/20/59/441762059.db2.gz NDCQDLIFBFYWTN-AWEZNQCLSA-N 0 3 341.433 1.698 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115585528 441762711 /nfs/dbraw/zinc/76/27/11/441762711.db2.gz OFQQADMPVQECOL-ZDUSSCGKSA-N 0 3 341.433 1.866 20 5 EDBDHN CC1CCC(N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000115254816 441719343 /nfs/dbraw/zinc/71/93/43/441719343.db2.gz UAKSUIJPUYDQIM-UHFFFAOYSA-N 0 3 349.435 1.904 20 5 EDBDHN COCCN(C)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000068336821 441778501 /nfs/dbraw/zinc/77/85/01/441778501.db2.gz VNRCLNGDAUOLSP-UHFFFAOYSA-N 0 3 338.408 1.481 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000043284941 441828974 /nfs/dbraw/zinc/82/89/74/441828974.db2.gz BHKCPGIQGQRQAH-HNNXBMFYSA-N 0 3 343.387 1.745 20 5 EDBDHN COCCCN1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000078302297 441917142 /nfs/dbraw/zinc/91/71/42/441917142.db2.gz NJTCZKYWYUFENJ-UHFFFAOYSA-N 0 3 336.392 1.242 20 5 EDBDHN C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000069440353 441936607 /nfs/dbraw/zinc/93/66/07/441936607.db2.gz BYVKGKKHLULLGD-LBPRGKRZSA-N 0 3 336.392 1.756 20 5 EDBDHN COC(=O)[C@H](C)[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000152074354 442161002 /nfs/dbraw/zinc/16/10/02/442161002.db2.gz PLOJCFLSZOCMQM-IUODEOHRSA-N 0 3 332.360 1.931 20 5 EDBDHN CCN(CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171155833 442320661 /nfs/dbraw/zinc/32/06/61/442320661.db2.gz SBWJNFQVIWYBCI-UHFFFAOYSA-N 0 3 335.408 1.790 20 5 EDBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000130650623 442352737 /nfs/dbraw/zinc/35/27/37/442352737.db2.gz FMLBLBLPOYZGJQ-MBNYWOFBSA-N 0 3 348.403 1.864 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@H](C)OC)c([N+](=O)[O-])c1 ZINC000191710520 442495701 /nfs/dbraw/zinc/49/57/01/442495701.db2.gz MRRSMQWRMMQOEF-DCAQKATOSA-N 0 3 325.365 1.943 20 5 EDBDHN CCN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000172719130 442526465 /nfs/dbraw/zinc/52/64/65/442526465.db2.gz ODHAXANYJQHGFW-CQSZACIVSA-N 0 3 332.360 1.953 20 5 EDBDHN CN(CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000265432723 442770751 /nfs/dbraw/zinc/77/07/51/442770751.db2.gz ZREZORYXHBVVOM-UHFFFAOYSA-N 0 3 340.767 1.397 20 5 EDBDHN C[C@@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(C)C1CC1 ZINC000183010026 442864513 /nfs/dbraw/zinc/86/45/13/442864513.db2.gz VCKYWOHIARJGEE-ZBEGNZNMSA-N 0 3 346.387 1.687 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000268201748 442897323 /nfs/dbraw/zinc/89/73/23/442897323.db2.gz GHFMFMFXWSPJBQ-RISCZKNCSA-N 0 3 327.406 1.474 20 5 EDBDHN C[C@@H](O)CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)CO ZINC000248934065 442938986 /nfs/dbraw/zinc/93/89/86/442938986.db2.gz MWMMKVVMDXVHLD-CHWSQXEVSA-N 0 3 349.387 1.856 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000249381218 442970155 /nfs/dbraw/zinc/97/01/55/442970155.db2.gz RSLJUBOASKGSOZ-HIFRSBDPSA-N 0 3 346.387 1.937 20 5 EDBDHN Cc1nccn1CCCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298171814 318797132 /nfs/dbraw/zinc/79/71/32/318797132.db2.gz UKIYNCPNRZTCJC-UHFFFAOYSA-N 0 3 330.392 1.707 20 5 EDBDHN CC(C)(C)[C@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000278578166 443366322 /nfs/dbraw/zinc/36/63/22/443366322.db2.gz CMJRMQDJHLHSIC-ZDUSSCGKSA-N 0 3 330.406 1.365 20 5 EDBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000269621320 443368767 /nfs/dbraw/zinc/36/87/67/443368767.db2.gz UAXFBBPKGKZEMS-NSHDSACASA-N 0 3 339.396 1.018 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(CCCO)CC2)c1 ZINC000272877927 443476159 /nfs/dbraw/zinc/47/61/59/443476159.db2.gz WEPMPZOTDVDGRZ-MRXNPFEDSA-N 0 3 338.404 1.819 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000440335629 320071789 /nfs/dbraw/zinc/07/17/89/320071789.db2.gz GHVSAOAGIWRYLO-NWDGAFQWSA-N 0 3 327.406 1.570 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCCN1CCO ZINC000449390337 320187797 /nfs/dbraw/zinc/18/77/97/320187797.db2.gz GJGOUJQRXMMKGP-MRXNPFEDSA-N 0 3 337.420 1.930 20 5 EDBDHN CC(C)N1CC[C@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000457139367 320320286 /nfs/dbraw/zinc/32/02/86/320320286.db2.gz YFJJGZBSBUSDNN-AWEZNQCLSA-N 0 3 334.420 1.972 20 5 EDBDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000276505100 443726176 /nfs/dbraw/zinc/72/61/76/443726176.db2.gz YOGWXSKGZQDKMM-VXGBXAGGSA-N 0 3 349.387 1.661 20 5 EDBDHN CCN(CCNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C1CC1 ZINC000298270433 443735504 /nfs/dbraw/zinc/73/55/04/443735504.db2.gz WKVJOLLWRBSMMT-UHFFFAOYSA-N 0 3 348.403 1.751 20 5 EDBDHN Cc1cc(OCC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000280966565 443785454 /nfs/dbraw/zinc/78/54/54/443785454.db2.gz ITECFFZLLRLWDV-BBRMVZONSA-N 0 3 333.388 1.835 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285310899 443937418 /nfs/dbraw/zinc/93/74/18/443937418.db2.gz QMFNQTBZPCUTGK-ZWOPJXCPSA-N 0 3 331.372 1.540 20 5 EDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H](CO)CN1CCCCC1 ZINC000288625912 443938050 /nfs/dbraw/zinc/93/80/50/443938050.db2.gz WDYIINBYIGNJLX-XVJNWHFHSA-N 0 3 333.388 1.571 20 5 EDBDHN CN(CCCN1CCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000281686521 443978772 /nfs/dbraw/zinc/97/87/72/443978772.db2.gz YRUPSIGNAPAXDQ-UHFFFAOYSA-N 0 3 345.396 1.840 20 5 EDBDHN COCCN1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299240775 443992529 /nfs/dbraw/zinc/99/25/29/443992529.db2.gz KTIBUVUVOGSMNP-VMPITWQZSA-N 0 3 333.388 1.789 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@H]2C1 ZINC000285574594 444033943 /nfs/dbraw/zinc/03/39/43/444033943.db2.gz BBIUVSIGBMVHIG-HOTGVXAUSA-N 0 3 344.371 1.621 20 5 EDBDHN Cc1ccc(CN2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000289209680 444077416 /nfs/dbraw/zinc/07/74/16/444077416.db2.gz BWDRJKQETUCXFU-SUMWQHHRSA-N 0 3 346.387 1.856 20 5 EDBDHN CN1CC[C@H]2OCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285734450 444090647 /nfs/dbraw/zinc/09/06/47/444090647.db2.gz KQCWLYMRHCYDDR-JKSUJKDBSA-N 0 3 348.403 1.328 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COC[C@H]1CCCO1 ZINC000565672900 321197146 /nfs/dbraw/zinc/19/71/46/321197146.db2.gz NDRJDYRCIVXGGP-HZPDHXFCSA-N 0 3 338.404 1.626 20 5 EDBDHN CCN1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000571273808 321382221 /nfs/dbraw/zinc/38/22/21/321382221.db2.gz UAAVGEXHZXLLNT-UHFFFAOYSA-N 0 3 327.406 1.605 20 5 EDBDHN COc1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc([N+](=O)[O-])c1C ZINC000573116167 321443725 /nfs/dbraw/zinc/44/37/25/321443725.db2.gz RLZOQIRIECOTLC-QGZVFWFLSA-N 0 3 349.387 1.098 20 5 EDBDHN CN(C)[C@H]1CC[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301915731 444197162 /nfs/dbraw/zinc/19/71/62/444197162.db2.gz GPUDPEVHOCMQAY-MNOVXSKESA-N 0 3 327.406 1.893 20 5 EDBDHN COc1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000290139591 444247120 /nfs/dbraw/zinc/24/71/20/444247120.db2.gz NTYUXQQJTLUJIO-LBPRGKRZSA-N 0 3 328.390 1.518 20 5 EDBDHN Cc1cnn([C@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289986941 444227768 /nfs/dbraw/zinc/22/77/68/444227768.db2.gz SBWDAUMKUZLBRL-LSDHHAIUSA-N 0 3 346.387 1.786 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1CCN(C)CC1 ZINC000297878746 444346164 /nfs/dbraw/zinc/34/61/64/444346164.db2.gz NGVJENKNYRNPBX-UHFFFAOYSA-N 0 3 334.376 1.361 20 5 EDBDHN CCc1ccc(S(=O)(=O)N[C@@H]2CNCC[C@H]2C)cc1[N+](=O)[O-] ZINC000579238759 321906441 /nfs/dbraw/zinc/90/64/41/321906441.db2.gz WCXUVPVCGXPOIM-ZWNOBZJWSA-N 0 3 327.406 1.434 20 5 EDBDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340615503 444461231 /nfs/dbraw/zinc/46/12/31/444461231.db2.gz DHYJWQMPVOGKOQ-FSBGKCOPSA-N 0 3 346.387 1.569 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000581459570 322179091 /nfs/dbraw/zinc/17/90/91/322179091.db2.gz YYJTUDXVFXDGNK-LBPRGKRZSA-N 0 3 348.403 1.554 20 5 EDBDHN COC(=O)COc1ccc(CNCC2=CCCOC2)cc1[N+](=O)[O-] ZINC000342270228 444603775 /nfs/dbraw/zinc/60/37/75/444603775.db2.gz ANDZMWKJPQTFKJ-UHFFFAOYSA-N 0 3 336.344 1.583 20 5 EDBDHN CNC(=O)N[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000342354933 444650749 /nfs/dbraw/zinc/65/07/49/444650749.db2.gz NCSDQVKTTGFPNB-LBPRGKRZSA-N 0 3 349.391 1.235 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)c2ncnc3cccc([N+](=O)[O-])c32)N(C)C1 ZINC000343884089 444645190 /nfs/dbraw/zinc/64/51/90/444645190.db2.gz CGFMRCMBZMUAPB-NWDGAFQWSA-N 0 3 331.376 1.693 20 5 EDBDHN CS[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000330534638 445022244 /nfs/dbraw/zinc/02/22/44/445022244.db2.gz IVKIFKJHXZPTGX-OLZOCXBDSA-N 0 3 327.381 1.852 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000337214551 444988264 /nfs/dbraw/zinc/98/82/64/444988264.db2.gz FJVYNIXMSCEZHF-GRYCIOLGSA-N 0 3 337.376 1.945 20 5 EDBDHN C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339036797 445000958 /nfs/dbraw/zinc/00/09/58/445000958.db2.gz QLDBGNZLVYZMFF-ZDUSSCGKSA-N 0 3 337.420 1.825 20 5 EDBDHN CN(C)Cc1cccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000343240124 445155208 /nfs/dbraw/zinc/15/52/08/445155208.db2.gz WOSGALUOEBRAPE-UHFFFAOYSA-N 0 3 330.344 1.457 20 5 EDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346159016 445206822 /nfs/dbraw/zinc/20/68/22/445206822.db2.gz CYFAWZLKFGYJQI-YDHLFZDLSA-N 0 3 349.435 1.715 20 5 EDBDHN COc1ccc(CN[C@H]2CCO[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000343405851 445216710 /nfs/dbraw/zinc/21/67/10/445216710.db2.gz UFUWRHWSOKWWIT-SWLSCSKDSA-N 0 3 332.360 1.957 20 5 EDBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000343499144 445234558 /nfs/dbraw/zinc/23/45/58/445234558.db2.gz HKJVBJGMJGCFHX-QWHCGFSZSA-N 0 3 348.403 1.912 20 5 EDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000347938925 445256749 /nfs/dbraw/zinc/25/67/49/445256749.db2.gz VHEMGOKLTDDHIS-STQMWFEESA-N 0 3 346.391 1.327 20 5 EDBDHN CCN1CCC[C@@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000357140950 445450806 /nfs/dbraw/zinc/45/08/06/445450806.db2.gz FMUFSJYBCSNBCD-GFCCVEGCSA-N 0 3 337.376 1.826 20 5 EDBDHN CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357291278 445529441 /nfs/dbraw/zinc/52/94/41/445529441.db2.gz OKEKWGZMZBYZAB-ZDUSSCGKSA-N 0 3 348.403 1.832 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000356050683 445590454 /nfs/dbraw/zinc/59/04/54/445590454.db2.gz XYMIGHMMTVIWLS-OAHLLOKOSA-N 0 3 344.371 1.072 20 5 EDBDHN Cc1cc(OCC(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000369175585 445971580 /nfs/dbraw/zinc/97/15/80/445971580.db2.gz WVEISVKAIDYZOD-XJKSGUPXSA-N 0 3 333.388 1.835 20 5 EDBDHN O=C(CN1CCNC[C@@H]1C(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000582666695 325898929 /nfs/dbraw/zinc/89/89/29/325898929.db2.gz YOXNHRCFBZQKOJ-LLVKDONJSA-N 0 3 348.737 1.726 20 5 EDBDHN CC(C)N(C)C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583627032 326106800 /nfs/dbraw/zinc/10/68/00/326106800.db2.gz YQMQTLQLKLMOSJ-ZDUSSCGKSA-N 0 3 343.449 1.687 20 5 EDBDHN CN(C(=O)CN1CC[C@@H]2CCN(C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000373143814 446056575 /nfs/dbraw/zinc/05/65/75/446056575.db2.gz YDXIODFGMSFKOR-BBRMVZONSA-N 0 3 332.404 1.584 20 5 EDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000366190926 446073620 /nfs/dbraw/zinc/07/36/20/446073620.db2.gz IKVVXXSKWBEWDC-ZNNBYXKUSA-N 0 3 345.399 1.978 20 5 EDBDHN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000351504056 446110044 /nfs/dbraw/zinc/11/00/44/446110044.db2.gz UISUSTWHYPKQGH-TVQRCGJNSA-N 0 3 338.339 1.081 20 5 EDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000359348797 446166807 /nfs/dbraw/zinc/16/68/07/446166807.db2.gz VHFZLPMANUNPQU-ZDUSSCGKSA-N 0 3 333.392 1.543 20 5 EDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCN1c1cccnn1 ZINC000376229032 446391357 /nfs/dbraw/zinc/39/13/57/446391357.db2.gz RWWIFCGPGOPRDF-CYBMUJFWSA-N 0 3 331.380 1.182 20 5 EDBDHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000411242348 446440495 /nfs/dbraw/zinc/44/04/95/446440495.db2.gz RNZWAPQKHCHHGT-LLVKDONJSA-N 0 3 334.376 1.441 20 5 EDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CNCCO2)nc1OCc1ccccc1 ZINC000420283888 446449656 /nfs/dbraw/zinc/44/96/56/446449656.db2.gz ODDUUIFLOKZBAX-CQSZACIVSA-N 0 3 344.371 1.969 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000452972547 446521900 /nfs/dbraw/zinc/52/19/00/446521900.db2.gz JBECWKABKPXXBQ-PWSUYJOCSA-N 0 3 341.314 1.972 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(F)(c3cccnc3)CC2)c1 ZINC000375336747 446731744 /nfs/dbraw/zinc/73/17/44/446731744.db2.gz JXMDYEFYWCJJQY-HNNXBMFYSA-N 0 3 349.366 1.508 20 5 EDBDHN Cc1cccc(C(=O)N2CCCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000368418997 446850902 /nfs/dbraw/zinc/85/09/02/446850902.db2.gz HSUGJEVCPBITQE-UHFFFAOYSA-N 0 3 335.404 1.822 20 5 EDBDHN CN(C)C1(CNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000419003684 446860909 /nfs/dbraw/zinc/86/09/09/446860909.db2.gz NNQTXGBZHCHGLZ-UHFFFAOYSA-N 0 3 348.403 1.573 20 5 EDBDHN CC(C)N1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000375584820 446907718 /nfs/dbraw/zinc/90/77/18/446907718.db2.gz RVCPOCAJVNPUGH-GFCCVEGCSA-N 0 3 325.438 1.656 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000377197133 446985174 /nfs/dbraw/zinc/98/51/74/446985174.db2.gz PGZVXZYYMBHOJW-ARFHVFGLSA-N 0 3 336.388 1.965 20 5 EDBDHN CC[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000419172161 446988243 /nfs/dbraw/zinc/98/82/43/446988243.db2.gz UJTPRWUXOHWTDV-HUUCEWRRSA-N 0 3 348.403 1.502 20 5 EDBDHN O=[N+]([O-])c1ccccc1CN1CCC(O)(CN2CCOCC2)CC1 ZINC000368681123 447030681 /nfs/dbraw/zinc/03/06/81/447030681.db2.gz UCWWZYIFDFNCSX-UHFFFAOYSA-N 0 3 335.404 1.254 20 5 EDBDHN COc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000377480319 447151611 /nfs/dbraw/zinc/15/16/11/447151611.db2.gz CHNPVBWUQNAXOS-CHWSQXEVSA-N 0 3 335.360 1.196 20 5 EDBDHN CC1(C)CCCN(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000445225083 447179916 /nfs/dbraw/zinc/17/99/16/447179916.db2.gz PVPZYQKGGOHDTK-UHFFFAOYSA-N 0 3 338.412 1.213 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CO)[C@H]1CCCO1 ZINC000447915555 447297651 /nfs/dbraw/zinc/29/76/51/447297651.db2.gz NBCQDAHXDHCKOU-LSDHHAIUSA-N 0 3 337.376 1.361 20 5 EDBDHN Cc1nn(C)cc1[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372739092 447259868 /nfs/dbraw/zinc/25/98/68/447259868.db2.gz IDUXKUIOZDBBIW-DZGCQCFKSA-N 0 3 334.380 1.031 20 5 EDBDHN CNC(=O)[C@@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000426508340 447461647 /nfs/dbraw/zinc/46/16/47/447461647.db2.gz NIIFTKWQLKSKNQ-ABAIWWIYSA-N 0 3 336.392 1.672 20 5 EDBDHN COc1cc(C(=O)NC[C@@](C)(O)CCN(C)C)c([N+](=O)[O-])cc1F ZINC000419970389 447521867 /nfs/dbraw/zinc/52/18/67/447521867.db2.gz BSYNDILNRCGUSE-HNNXBMFYSA-N 0 3 343.355 1.175 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@H]1CCCN(C)C1 ZINC000416565301 447648831 /nfs/dbraw/zinc/64/88/31/447648831.db2.gz SPSXOTANUOEJAI-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416429256 447598821 /nfs/dbraw/zinc/59/88/21/447598821.db2.gz XWJIGVVLFNSIGG-JSGCOSHPSA-N 0 3 341.433 1.782 20 5 EDBDHN CCNC(=O)C(C)(C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000459587172 447715100 /nfs/dbraw/zinc/71/51/00/447715100.db2.gz LFNBNAYVEWBTRK-UHFFFAOYSA-N 0 3 336.392 1.736 20 5 EDBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000458228318 447749507 /nfs/dbraw/zinc/74/95/07/447749507.db2.gz SPVWFRWUSSIFIQ-UHFFFAOYSA-N 0 3 337.405 1.594 20 5 EDBDHN CCO[C@@H]1COC[C@H]1NCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000451939023 447792436 /nfs/dbraw/zinc/79/24/36/447792436.db2.gz OXADUPHCDNLKEB-IUODEOHRSA-N 0 3 326.349 1.376 20 5 EDBDHN COc1ccc(CC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000530767263 447952903 /nfs/dbraw/zinc/95/29/03/447952903.db2.gz LTXZMILINYRVEB-WCQYABFASA-N 0 3 333.388 1.887 20 5 EDBDHN C[C@H]1CCN(CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000525307108 447994869 /nfs/dbraw/zinc/99/48/69/447994869.db2.gz SXXFDVXNLRZEQF-LBPRGKRZSA-N 0 3 327.406 1.356 20 5 EDBDHN CCC[C@H](C)[C@H](CO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000514792037 448205112 /nfs/dbraw/zinc/20/51/12/448205112.db2.gz GDNBDIPRYYAOAJ-WFASDCNBSA-N 0 3 335.404 1.871 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCCN1CCC[C@@H]1C(N)=O ZINC000532514545 448268061 /nfs/dbraw/zinc/26/80/61/448268061.db2.gz UNFSEQIOMCUJJG-CZUORRHYSA-N 0 3 334.420 1.894 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCN1CCC[C@H]1C(N)=O ZINC000532514543 448268302 /nfs/dbraw/zinc/26/83/02/448268302.db2.gz UNFSEQIOMCUJJG-BBRMVZONSA-N 0 3 334.420 1.894 20 5 EDBDHN CC1(C)CNCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591678347 448446142 /nfs/dbraw/zinc/44/61/42/448446142.db2.gz POIGFWYZLBMXFL-UHFFFAOYSA-N 0 3 329.360 1.605 20 5 EDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000591758897 448483609 /nfs/dbraw/zinc/48/36/09/448483609.db2.gz RSZXTIWNKSLMLP-SWLSCSKDSA-N 0 3 342.417 1.916 20 5 EDBDHN CN(C)CCN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000578324920 448516017 /nfs/dbraw/zinc/51/60/17/448516017.db2.gz NRFIZOKHMLJLCY-DLBZAZTESA-N 0 3 348.447 1.650 20 5 EDBDHN CCC[C@H](O)[C@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592431619 448834274 /nfs/dbraw/zinc/83/42/74/448834274.db2.gz PZJNPGXJULIVBD-JSGCOSHPSA-N 0 3 325.365 1.035 20 5 EDBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000547730474 448921160 /nfs/dbraw/zinc/92/11/60/448921160.db2.gz USNGFAMKZYFWSI-LLVKDONJSA-N 0 3 335.408 1.812 20 5 EDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H](CO)c1cccnc1)OCCO2 ZINC000588928686 448950002 /nfs/dbraw/zinc/95/00/02/448950002.db2.gz FQQYQPWEAPKXHF-AWEZNQCLSA-N 0 3 345.355 1.627 20 5 EDBDHN O=C(N[C@H](CO)CN1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000588869935 448943081 /nfs/dbraw/zinc/94/30/81/448943081.db2.gz QPPZOKSKXWQXHS-NSHDSACASA-N 0 3 332.360 1.263 20 5 EDBDHN O=C(CN[C@H](CO)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595615979 449080280 /nfs/dbraw/zinc/08/02/80/449080280.db2.gz KMDCCPQKUBOWIL-CYBMUJFWSA-N 0 3 327.768 1.937 20 5 EDBDHN CN(C)c1nccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000522059449 449047930 /nfs/dbraw/zinc/04/79/30/449047930.db2.gz GFCCEMFJOHQDPR-KGLIPLIRSA-N 0 3 345.407 1.921 20 5 EDBDHN CCOc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000590440680 449161270 /nfs/dbraw/zinc/16/12/70/449161270.db2.gz ARBWJXDIURLKNM-RISCZKNCSA-N 0 3 349.387 1.778 20 5 EDBDHN Cn1c(C(=O)N2CCC(N3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000600007037 449146214 /nfs/dbraw/zinc/14/62/14/449146214.db2.gz MDFCFJQPKZIBNU-UHFFFAOYSA-N 0 3 336.392 1.260 20 5 EDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000590400526 449147394 /nfs/dbraw/zinc/14/73/94/449147394.db2.gz WADKIRSAYKUDFE-CVEARBPZSA-N 0 3 333.388 1.459 20 5 EDBDHN CN(C(=O)CN(C)[C@H](CN)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595907981 449246673 /nfs/dbraw/zinc/24/66/73/449246673.db2.gz LPMMJAZFDBHFMY-LLVKDONJSA-N 0 3 334.298 1.379 20 5 EDBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1CCN1C1CCCCC1 ZINC000600230035 449256046 /nfs/dbraw/zinc/25/60/46/449256046.db2.gz OTQBALWGLNURRR-AWEZNQCLSA-N 0 3 348.403 1.280 20 5 EDBDHN O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1(NC2CC2)CCC1 ZINC000595929064 449259805 /nfs/dbraw/zinc/25/98/05/449259805.db2.gz VMHCYYZXIUEENK-UHFFFAOYSA-N 0 3 345.403 1.313 20 5 EDBDHN CNc1nccc(C(=O)N[C@@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598259924 449318571 /nfs/dbraw/zinc/31/85/71/449318571.db2.gz GDHZWTCJUZVENC-LBPRGKRZSA-N 0 3 335.408 1.882 20 5 EDBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593557057 449346607 /nfs/dbraw/zinc/34/66/07/449346607.db2.gz RBHYSXKWSZTUJX-LBPRGKRZSA-N 0 3 342.421 1.485 20 5 EDBDHN C[C@@H]1CCCCN1CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596078013 449352417 /nfs/dbraw/zinc/35/24/17/449352417.db2.gz YFOHVNNLEKVXGT-LLVKDONJSA-N 0 3 342.421 1.529 20 5 EDBDHN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545061 449338347 /nfs/dbraw/zinc/33/83/47/449338347.db2.gz YZLSJCCPAVPQAW-UHFFFAOYSA-N 0 3 344.437 1.780 20 5 EDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598535955 449451774 /nfs/dbraw/zinc/45/17/74/449451774.db2.gz MHIVAFHCASEZDV-NSHDSACASA-N 0 3 337.380 1.033 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1 ZINC000598574678 449471760 /nfs/dbraw/zinc/47/17/60/449471760.db2.gz SMJIRRCYTOCJDZ-AWEZNQCLSA-N 0 3 327.331 1.872 20 5 EDBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000596244065 449436208 /nfs/dbraw/zinc/43/62/08/449436208.db2.gz OJZXPYPVENGFFV-CYBMUJFWSA-N 0 3 334.351 2.130 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](n2ccnc2)C1 ZINC000612030434 449527991 /nfs/dbraw/zinc/52/79/91/449527991.db2.gz HDILVIJBGVJZRW-GJZGRUSLSA-N 0 3 346.387 1.868 20 5 EDBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000594545509 449569855 /nfs/dbraw/zinc/56/98/55/449569855.db2.gz QKARALSKRQYOJB-UHFFFAOYSA-N 0 3 338.408 2.300 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccncc3)CC2)n1 ZINC000617399768 449590182 /nfs/dbraw/zinc/59/01/82/449590182.db2.gz BHZYXQQWAHFYNR-UHFFFAOYSA-N 0 3 330.348 1.169 20 5 EDBDHN COCc1csc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000594731072 449653596 /nfs/dbraw/zinc/65/35/96/449653596.db2.gz FBBLJNYWPBSBDH-GFCCVEGCSA-N 0 3 326.378 1.150 20 5 EDBDHN C[C@]12CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC000602731258 449771539 /nfs/dbraw/zinc/77/15/39/449771539.db2.gz LZMZNDJWYIHPRM-SLLSNFPASA-N 0 3 329.356 1.593 20 5 EDBDHN CCN1[C@H](C)CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000602872917 449881249 /nfs/dbraw/zinc/88/12/49/449881249.db2.gz DBEYCURKRCZWCA-OKILXGFUSA-N 0 3 346.431 1.898 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000595191793 449935187 /nfs/dbraw/zinc/93/51/87/449935187.db2.gz DXUOETHUPQSHTO-GFCCVEGCSA-N 0 3 334.376 1.442 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000601421757 449938767 /nfs/dbraw/zinc/93/87/67/449938767.db2.gz JABCNIGTDHDDEQ-RISCZKNCSA-N 0 3 341.433 1.870 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC2(CCOCC2)CC[C@H]1CO ZINC000602916629 449919765 /nfs/dbraw/zinc/91/97/65/449919765.db2.gz OPXJNUPOCJZPHX-AWEZNQCLSA-N 0 3 338.408 1.353 20 5 EDBDHN CC(C)(C(=O)N[C@H]1CCN(C2CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000609309859 450003799 /nfs/dbraw/zinc/00/37/99/450003799.db2.gz PGIUCIDHXXJBSF-LBPRGKRZSA-N 0 3 335.408 1.660 20 5 EDBDHN C[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601645061 450138027 /nfs/dbraw/zinc/13/80/27/450138027.db2.gz WGCAWJDHWXEQQM-CZUORRHYSA-N 0 3 335.404 1.661 20 5 EDBDHN C[C@H](O)CN(Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610369801 450203262 /nfs/dbraw/zinc/20/32/62/450203262.db2.gz DSBQYKPVONTNDB-XJKSGUPXSA-N 0 3 334.376 1.035 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(=NC3CCN([C@H]4CCOC4)CC3)[nH]c2c1 ZINC000618588113 450254372 /nfs/dbraw/zinc/25/43/72/450254372.db2.gz PMVTZKOKGJURCR-ZDUSSCGKSA-N 0 3 331.376 1.558 20 5 EDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000174254907 534463148 /nfs/dbraw/zinc/46/31/48/534463148.db2.gz FCRNZKVLMSZDSB-INIZCTEOSA-N 0 3 330.388 1.793 20 5 EDBDHN CCCN1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114463389 535358942 /nfs/dbraw/zinc/35/89/42/535358942.db2.gz ZXVKAMDATJCZAM-UHFFFAOYSA-N 0 3 334.420 1.975 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000353187276 536477138 /nfs/dbraw/zinc/47/71/38/536477138.db2.gz BGTIJOJZACFJAH-KBPBESRZSA-N 0 3 338.360 1.396 20 5 EDBDHN C[C@H]1CCCN1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000742427903 579451872 /nfs/dbraw/zinc/45/18/72/579451872.db2.gz TWFKFRAMGROWQX-JTQLQIEISA-N 0 3 328.394 1.138 20 5 EDBDHN Cc1nn(CN2CC[C@@H]([C@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749799286 579740236 /nfs/dbraw/zinc/74/02/36/579740236.db2.gz WFDVEZVSHXOMRG-OLZOCXBDSA-N 0 3 331.376 1.964 20 5 EDBDHN COC(=O)C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000754522875 579905374 /nfs/dbraw/zinc/90/53/74/579905374.db2.gz UXHWLGTZYROKGJ-CQSZACIVSA-N 0 3 347.371 1.415 20 5 EDBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CN2CCN1CCC2 ZINC000764568594 580123556 /nfs/dbraw/zinc/12/35/56/580123556.db2.gz LYLWCYUOCKPRAI-AWEZNQCLSA-N 0 3 338.795 1.254 20 5 EDBDHN C[C@H]1CCCN1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000783918276 580608284 /nfs/dbraw/zinc/60/82/84/580608284.db2.gz QJZZALFSBYVPFS-NSHDSACASA-N 0 3 335.360 1.580 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCCO)CC1 ZINC000787408768 580694629 /nfs/dbraw/zinc/69/46/29/580694629.db2.gz ZLBXGVXKFXVGNC-SDNWHVSQSA-N 0 3 347.415 1.819 20 5 EDBDHN CN1CC[C@]2(CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000795099097 580913213 /nfs/dbraw/zinc/91/32/13/580913213.db2.gz GIAWNXUFVQXOER-KRWDZBQOSA-N 0 3 343.387 1.499 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738369651 598855792 /nfs/dbraw/zinc/85/57/92/598855792.db2.gz LFWNJMAITFRUDL-LBPRGKRZSA-N 0 3 343.391 1.697 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738369651 598855794 /nfs/dbraw/zinc/85/57/94/598855794.db2.gz LFWNJMAITFRUDL-LBPRGKRZSA-N 0 3 343.391 1.697 20 5 EDBDHN COc1c(O)ccc(CN[C@@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000892580771 591079845 /nfs/dbraw/zinc/07/98/45/591079845.db2.gz MFDIDSSTFDRIMC-NSHDSACASA-N 0 3 325.365 1.119 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCN(CCCCCO)CC3)nc2c1 ZINC000894964792 591499885 /nfs/dbraw/zinc/49/98/85/591499885.db2.gz YWJVKOKUILSPOF-UHFFFAOYSA-N 0 3 333.392 1.756 20 5 EDBDHN O=C(NCCN1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000900011420 591866742 /nfs/dbraw/zinc/86/67/42/591866742.db2.gz SMJSDTWBPPEPKN-UHFFFAOYSA-N 0 3 335.360 1.582 20 5 EDBDHN COc1cc([C@@H](C)NC[C@@H](C)N2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903091438 592119180 /nfs/dbraw/zinc/11/91/80/592119180.db2.gz UEQCNURASUNAMT-ZIAGYGMSSA-N 0 3 336.436 1.890 20 5 EDBDHN COC[C@@H]1CNCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000903876382 592356384 /nfs/dbraw/zinc/35/63/84/592356384.db2.gz XTHIZNRVKBZNPQ-NSHDSACASA-N 0 3 342.783 1.107 20 5 EDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@]2(C)C1 ZINC000907548073 592702258 /nfs/dbraw/zinc/70/22/58/592702258.db2.gz KZBFOBZYEQQUKG-SKDRFNHKSA-N 0 3 331.419 1.229 20 5 EDBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C)C1 ZINC000910282871 592820223 /nfs/dbraw/zinc/82/02/23/592820223.db2.gz CEMCQCGHVJVLHM-GFCCVEGCSA-N 0 3 349.387 1.922 20 5 EDBDHN CCN1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000910285807 592821914 /nfs/dbraw/zinc/82/19/14/592821914.db2.gz DHGXEMRJVWMATN-ZDUSSCGKSA-N 0 3 345.403 1.887 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000911199210 592952144 /nfs/dbraw/zinc/95/21/44/592952144.db2.gz BYZFKVPETSVCLZ-GFCCVEGCSA-N 0 3 349.387 1.922 20 5 EDBDHN CS(=O)(=O)NC1CC(NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000802654604 593268445 /nfs/dbraw/zinc/26/84/45/593268445.db2.gz LDBJCZOCQNCVRS-UHFFFAOYSA-N 0 3 333.797 1.418 20 5 EDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)[N+](=O)[O-] ZINC000813099769 593517536 /nfs/dbraw/zinc/51/75/36/593517536.db2.gz CINWFEVYGRHETD-DTWKUNHWSA-N 0 3 328.271 1.526 20 5 EDBDHN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813115364 593518902 /nfs/dbraw/zinc/51/89/02/593518902.db2.gz QCDVFZYMEKEJHS-MNOVXSKESA-N 0 3 344.389 1.585 20 5 EDBDHN CS(=O)(=O)[C@@H]1CCC[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000816562007 593531684 /nfs/dbraw/zinc/53/16/84/593531684.db2.gz VLKJQKQFCYWXFZ-NWANDNLSSA-N 0 3 342.417 1.574 20 5 EDBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000819176611 593742964 /nfs/dbraw/zinc/74/29/64/593742964.db2.gz LDGSKBZJKUYBOU-ZDUSSCGKSA-N 0 3 328.731 1.907 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000819230386 593745766 /nfs/dbraw/zinc/74/57/66/593745766.db2.gz VCVYHDJLFHMLQP-TWMKSMIVSA-N 0 3 336.388 1.944 20 5 EDBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000819304915 593749704 /nfs/dbraw/zinc/74/97/04/593749704.db2.gz KILMPRFFRIRMEV-ZWNOBZJWSA-N 0 3 328.390 1.184 20 5 EDBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)(C)C[NH+](C)C ZINC000820461312 593820014 /nfs/dbraw/zinc/82/00/14/593820014.db2.gz HCTVFBBQXNCXOI-VIFPVBQESA-N 0 3 334.384 1.558 20 5 EDBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)(C)C[NH+](C)C ZINC000820461312 593820015 /nfs/dbraw/zinc/82/00/15/593820015.db2.gz HCTVFBBQXNCXOI-VIFPVBQESA-N 0 3 334.384 1.558 20 5 EDBDHN COCCN(CCN(C)C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823998547 593904985 /nfs/dbraw/zinc/90/49/85/593904985.db2.gz QGGVOVBRPBFJKB-UHFFFAOYSA-N 0 3 325.369 1.219 20 5 EDBDHN CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821088823 593963163 /nfs/dbraw/zinc/96/31/63/593963163.db2.gz XQFOLQXUVHCVJK-LBPRGKRZSA-N 0 3 345.407 1.943 20 5 EDBDHN CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821088823 593963164 /nfs/dbraw/zinc/96/31/64/593963164.db2.gz XQFOLQXUVHCVJK-LBPRGKRZSA-N 0 3 345.407 1.943 20 5 EDBDHN CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821088823 593963166 /nfs/dbraw/zinc/96/31/66/593963166.db2.gz XQFOLQXUVHCVJK-LBPRGKRZSA-N 0 3 345.407 1.943 20 5 EDBDHN CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821088823 593963168 /nfs/dbraw/zinc/96/31/68/593963168.db2.gz XQFOLQXUVHCVJK-LBPRGKRZSA-N 0 3 345.407 1.943 20 5 EDBDHN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821254409 593998736 /nfs/dbraw/zinc/99/87/36/593998736.db2.gz LXSJXMKLTABZLC-YPMHNXCESA-N 0 3 343.391 1.838 20 5 EDBDHN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821254409 593998738 /nfs/dbraw/zinc/99/87/38/593998738.db2.gz LXSJXMKLTABZLC-YPMHNXCESA-N 0 3 343.391 1.838 20 5 EDBDHN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821254409 593998739 /nfs/dbraw/zinc/99/87/39/593998739.db2.gz LXSJXMKLTABZLC-YPMHNXCESA-N 0 3 343.391 1.838 20 5 EDBDHN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821254409 593998741 /nfs/dbraw/zinc/99/87/41/593998741.db2.gz LXSJXMKLTABZLC-YPMHNXCESA-N 0 3 343.391 1.838 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000822483365 594055545 /nfs/dbraw/zinc/05/55/45/594055545.db2.gz BKTXQGACOVIZMH-QGZVFWFLSA-N 0 3 335.404 1.740 20 5 EDBDHN C[N@@H+]1CCCC12CCN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC000826034464 594312060 /nfs/dbraw/zinc/31/20/60/594312060.db2.gz RKZBZLLRJJAJTG-UHFFFAOYSA-N 0 3 343.391 1.840 20 5 EDBDHN C[N@H+]1CCCC12CCN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC000826034464 594312062 /nfs/dbraw/zinc/31/20/62/594312062.db2.gz RKZBZLLRJJAJTG-UHFFFAOYSA-N 0 3 343.391 1.840 20 5 EDBDHN C[N@@H+]1CCCC12CCN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC000826034464 594312064 /nfs/dbraw/zinc/31/20/64/594312064.db2.gz RKZBZLLRJJAJTG-UHFFFAOYSA-N 0 3 343.391 1.840 20 5 EDBDHN C[N@H+]1CCCC12CCN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC000826034464 594312065 /nfs/dbraw/zinc/31/20/65/594312065.db2.gz RKZBZLLRJJAJTG-UHFFFAOYSA-N 0 3 343.391 1.840 20 5 EDBDHN CCO[C@@H](CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F)CN(C)C ZINC000831718306 594695778 /nfs/dbraw/zinc/69/57/78/594695778.db2.gz KFTQMSIKMPIEND-JTQLQIEISA-N 0 3 345.346 1.878 20 5 EDBDHN CCO[C@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)CN(C)C ZINC000831737578 594697708 /nfs/dbraw/zinc/69/77/08/594697708.db2.gz ITPSLNRKIYYAGQ-SECBINFHSA-N 0 3 331.319 1.570 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000841525583 594915232 /nfs/dbraw/zinc/91/52/32/594915232.db2.gz ZYDVDVBAHVVGEH-SNVBAGLBSA-N 0 3 347.824 1.787 20 5 EDBDHN CC(C)(CN)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843223355 595042770 /nfs/dbraw/zinc/04/27/70/595042770.db2.gz BGNLMKFZOGGGET-UHFFFAOYSA-N 0 3 333.348 1.073 20 5 EDBDHN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CNCc4ccccc43)n2)n1C ZINC000843222836 595042864 /nfs/dbraw/zinc/04/28/64/595042864.db2.gz VZMRENNNAUAXOC-GFCCVEGCSA-N 0 3 340.343 1.922 20 5 EDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000834563224 595163260 /nfs/dbraw/zinc/16/32/60/595163260.db2.gz BETISLLQEYPVAY-RMHQSFGDSA-N 0 3 347.415 1.913 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H](O)c2ccsc2)c1 ZINC000843081321 595282346 /nfs/dbraw/zinc/28/23/46/595282346.db2.gz BEOGQCVODQZQHG-ZFWWWQNUSA-N 0 3 338.385 1.719 20 5 EDBDHN Cc1cccc([C@H](O)CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000843086427 595284145 /nfs/dbraw/zinc/28/41/45/595284145.db2.gz GDDOFIZGUCEIAL-DOTOQJQBSA-N 0 3 346.383 1.966 20 5 EDBDHN O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000848774012 595444926 /nfs/dbraw/zinc/44/49/26/595444926.db2.gz IQWRYDKYRCZOIV-OAHLLOKOSA-N 0 3 344.371 1.857 20 5 EDBDHN Cc1c(C(=O)NC[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000108333176 595492466 /nfs/dbraw/zinc/49/24/66/595492466.db2.gz LQWTUHDVQFQFNI-NSHDSACASA-N 0 3 336.348 1.883 20 5 EDBDHN CNc1ccc(C(=O)OC2CCN(CCOC)CC2)cc1[N+](=O)[O-] ZINC000847880890 595495272 /nfs/dbraw/zinc/49/52/72/595495272.db2.gz BMDKFCJTAWHFLI-UHFFFAOYSA-N 0 3 337.376 1.904 20 5 EDBDHN O=C([N-]C[C@H]1C[NH2+]CCCO1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767274 595600808 /nfs/dbraw/zinc/60/08/08/595600808.db2.gz BGXUMQUCFQIJFR-GFCCVEGCSA-N 0 3 345.302 1.061 20 5 EDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855902650 595852498 /nfs/dbraw/zinc/85/24/98/595852498.db2.gz JOVXSRGUQUMTDB-CZUORRHYSA-N 0 3 335.404 1.865 20 5 EDBDHN COc1cc(N2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])cc1C ZINC000853711057 595861102 /nfs/dbraw/zinc/86/11/02/595861102.db2.gz KDLVZBHLSNNPRN-UHFFFAOYSA-N 0 3 336.392 1.122 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(N3CCOCC3)CC2)cc1 ZINC000859353547 596061564 /nfs/dbraw/zinc/06/15/64/596061564.db2.gz GDSVYBMRQCMPCU-QGZVFWFLSA-N 0 3 335.404 1.425 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000869781114 596633296 /nfs/dbraw/zinc/63/32/96/596633296.db2.gz FRLLMHKEBHBOFM-NSHDSACASA-N 0 3 325.340 1.309 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000869785829 596637463 /nfs/dbraw/zinc/63/74/63/596637463.db2.gz GSMCHWGELCNQRK-NSHDSACASA-N 0 3 341.795 1.823 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874468452 597093730 /nfs/dbraw/zinc/09/37/30/597093730.db2.gz YWTYAQUKWUPOLC-AWEZNQCLSA-N 0 3 348.447 1.967 20 5 EDBDHN COCc1nc2n(n1)C[C@@H](NCc1cccc([N+](=O)[O-])c1C)CC2 ZINC000873076498 597182257 /nfs/dbraw/zinc/18/22/57/597182257.db2.gz OCHGYROOPWJAJU-ZDUSSCGKSA-N 0 3 331.376 1.746 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@H]3[C@@H]2CCCN3C)c(C)c1[N+](=O)[O-] ZINC000874840567 597194103 /nfs/dbraw/zinc/19/41/03/597194103.db2.gz PJBCKTPXTYHYNM-KBPBESRZSA-N 0 3 335.408 1.493 20 5 EDBDHN COc1ccc(CC(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874840194 597194189 /nfs/dbraw/zinc/19/41/89/597194189.db2.gz KRZOHZVHEMBUEE-ZIAGYGMSSA-N 0 3 333.388 1.841 20 5 EDBDHN COc1cnccc1N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882291183 597925682 /nfs/dbraw/zinc/92/56/82/597925682.db2.gz BXRRCRVAUKFOLD-UHFFFAOYSA-N 0 3 333.323 1.859 20 5 EDBDHN CCN1CCN(CCNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000133252844 597953498 /nfs/dbraw/zinc/95/34/98/597953498.db2.gz SBKWOZVCLDDWOD-UHFFFAOYSA-N 0 3 338.383 1.410 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000738358815 598504414 /nfs/dbraw/zinc/50/44/14/598504414.db2.gz OXYCWDWXONQWIZ-GFCCVEGCSA-N 0 3 329.364 1.671 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000738358815 598504415 /nfs/dbraw/zinc/50/44/15/598504415.db2.gz OXYCWDWXONQWIZ-GFCCVEGCSA-N 0 3 329.364 1.671 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000738358815 598504416 /nfs/dbraw/zinc/50/44/16/598504416.db2.gz OXYCWDWXONQWIZ-GFCCVEGCSA-N 0 3 329.364 1.671 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000738358815 598504417 /nfs/dbraw/zinc/50/44/17/598504417.db2.gz OXYCWDWXONQWIZ-GFCCVEGCSA-N 0 3 329.364 1.671 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)c2ccon2)CC1 ZINC000939978584 700098046 /nfs/dbraw/zinc/09/80/46/700098046.db2.gz VOQVZLJISGYZAI-UHFFFAOYSA-N 0 3 348.363 1.101 20 5 EDBDHN Cc1conc1C(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997163814 703451521 /nfs/dbraw/zinc/45/15/21/703451521.db2.gz UALNKSBEEOKLSU-UHFFFAOYSA-N 0 3 348.363 1.019 20 5 EDBDHN O=C1C[C@@H](CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CN1 ZINC000922783125 704336300 /nfs/dbraw/zinc/33/63/00/704336300.db2.gz ZUNYODLAXDCGAW-SECBINFHSA-N 0 3 329.303 1.812 20 5 EDBDHN CCc1nc(C)c(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001002787295 709393383 /nfs/dbraw/zinc/39/33/83/709393383.db2.gz IRDNBKDHISICPH-CHWSQXEVSA-N 0 3 336.392 1.291 20 5 EDBDHN CN(C)CCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000154798731 282089542 /nfs/dbraw/zinc/08/95/42/282089542.db2.gz XVCGGIUUGUMFBG-UHFFFAOYSA-N 0 3 328.756 1.207 20 5 EDBDHN NC(=O)c1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000560001179 306260398 /nfs/dbraw/zinc/26/03/98/306260398.db2.gz FBLSAOVBORWNSV-JSGCOSHPSA-N 0 3 344.375 1.559 20 5 EDBDHN O=C(COc1ccc(F)cc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000102599415 219212914 /nfs/dbraw/zinc/21/29/14/219212914.db2.gz ARZSABIPVRWWNF-UHFFFAOYSA-N 0 3 337.351 1.856 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(CO)CC1 ZINC000076991775 138250943 /nfs/dbraw/zinc/25/09/43/138250943.db2.gz GYPIREWMCUDCML-UHFFFAOYSA-N 0 3 337.376 1.636 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCN(C)C1CC1 ZINC000186796699 236023914 /nfs/dbraw/zinc/02/39/14/236023914.db2.gz LVDFJOUIFRXOMP-LBPRGKRZSA-N 0 3 348.403 1.266 20 5 EDBDHN O=C(CCNC[C@H]1CCCS1(=O)=O)Nc1ccccc1[N+](=O)[O-] ZINC000564650800 306361978 /nfs/dbraw/zinc/36/19/78/306361978.db2.gz DMHWFNCJKXDHDK-LLVKDONJSA-N 0 3 341.389 1.090 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000072075772 216003551 /nfs/dbraw/zinc/00/35/51/216003551.db2.gz XQVPCRHPXTWHHH-DGCLKSJQSA-N 0 3 335.360 1.196 20 5 EDBDHN CC(C)NC(=O)[C@@H](C)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414329878 304107125 /nfs/dbraw/zinc/10/71/25/304107125.db2.gz BQUXXORVHWCFNR-NWDGAFQWSA-N 0 3 336.392 1.815 20 5 EDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F ZINC000414999603 304149621 /nfs/dbraw/zinc/14/96/21/304149621.db2.gz KKPMGOWNUDCSGH-GWCFXTLKSA-N 0 3 342.346 1.899 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCNCC1 ZINC000236567635 139026363 /nfs/dbraw/zinc/02/63/63/139026363.db2.gz IKFKTPPSGLQGBF-UHFFFAOYSA-N 0 3 342.193 1.722 20 5 EDBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000078760485 217114276 /nfs/dbraw/zinc/11/42/76/217114276.db2.gz UCMKVIZWIXBKAD-LLVKDONJSA-N 0 3 347.824 1.963 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]C2(C[NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC000237320977 139047827 /nfs/dbraw/zinc/04/78/27/139047827.db2.gz SPAIYWWBPBDSHN-UHFFFAOYSA-N 0 3 329.378 1.153 20 5 EDBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000245514707 139077590 /nfs/dbraw/zinc/07/75/90/139077590.db2.gz CLFLYJQWEDYWNH-ZYHUDNBSSA-N 0 3 335.360 1.782 20 5 EDBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCOC2(CNC2)C1 ZINC000417709051 251237147 /nfs/dbraw/zinc/23/71/47/251237147.db2.gz CDOFVNPVAGYFEI-UHFFFAOYSA-N 0 3 348.403 1.301 20 5 EDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262701247 139297377 /nfs/dbraw/zinc/29/73/77/139297377.db2.gz ASYAUSHQJGPFCP-NWDGAFQWSA-N 0 3 329.360 1.603 20 5 EDBDHN C[C@@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262737619 139300189 /nfs/dbraw/zinc/30/01/89/139300189.db2.gz AVNFMJGSXLLOBO-SCZZXKLOSA-N 0 3 333.797 1.525 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2N)cn1 ZINC000424221769 252168042 /nfs/dbraw/zinc/16/80/42/252168042.db2.gz CIDCQDATPUDTKF-GXTWGEPZSA-N 0 3 349.778 1.549 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NCCN(CC)C2CC2)cc([N+](=O)[O-])c1 ZINC000263657083 139350294 /nfs/dbraw/zinc/35/02/94/139350294.db2.gz ABJZYPVWQBARAB-UHFFFAOYSA-N 0 3 349.387 1.986 20 5 EDBDHN C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000114141435 220640824 /nfs/dbraw/zinc/64/08/24/220640824.db2.gz JOMSHDLXAXZQTL-AWEZNQCLSA-N 0 3 349.435 1.006 20 5 EDBDHN CC(C)[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000488005098 255040216 /nfs/dbraw/zinc/04/02/16/255040216.db2.gz YAWKACCRKAUHQH-KRWDZBQOSA-N 0 3 346.431 1.756 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1cccs1 ZINC000116922596 221010773 /nfs/dbraw/zinc/01/07/73/221010773.db2.gz RQIJTDPJTJNBDD-UHFFFAOYSA-N 0 3 341.414 1.724 20 5 EDBDHN COC[C@H](O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000117946356 221102163 /nfs/dbraw/zinc/10/21/63/221102163.db2.gz AXFZIOJJNQFNSD-LLVKDONJSA-N 0 3 336.344 1.960 20 5 EDBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118126096 221125430 /nfs/dbraw/zinc/12/54/30/221125430.db2.gz VGEUZOHGGAYWDX-CQSZACIVSA-N 0 3 334.376 1.524 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119237667 221274555 /nfs/dbraw/zinc/27/45/55/221274555.db2.gz XAIMCKJMZVTYTR-UHFFFAOYSA-N 0 3 329.422 1.832 20 5 EDBDHN CCN1CC[C@@H]2OCCN(c3ccc(C(=O)NC)cc3[N+](=O)[O-])[C@H]2C1 ZINC000338735072 285380908 /nfs/dbraw/zinc/38/09/08/285380908.db2.gz ZPZMWGRHZDICNB-HOTGVXAUSA-N 0 3 348.403 1.254 20 5 EDBDHN CS[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270552536 140122382 /nfs/dbraw/zinc/12/23/82/140122382.db2.gz BNHNINYOPGDYKO-HIFRSBDPSA-N 0 3 325.434 1.951 20 5 EDBDHN COCCNCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000271181062 140252476 /nfs/dbraw/zinc/25/24/76/140252476.db2.gz VVCGLAZZQSQOQD-UHFFFAOYSA-N 0 3 345.783 1.369 20 5 EDBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)N(C)C ZINC000272037707 140391269 /nfs/dbraw/zinc/39/12/69/140391269.db2.gz QGYKMXKFZMWAKZ-LBPRGKRZSA-N 0 3 336.392 1.111 20 5 EDBDHN Cc1c(CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000331192482 140994021 /nfs/dbraw/zinc/99/40/21/140994021.db2.gz QKTDIVXOGCGESK-UONOGXRCSA-N 0 3 341.433 1.853 20 5 EDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000331393179 141016407 /nfs/dbraw/zinc/01/64/07/141016407.db2.gz KRBKOXWHHKXHIS-CHWSQXEVSA-N 0 3 335.408 1.612 20 5 EDBDHN CN(C)Cc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000572505588 306591949 /nfs/dbraw/zinc/59/19/49/306591949.db2.gz WMBOHUMPVAQELL-UHFFFAOYSA-N 0 3 330.344 1.457 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000346620144 143222851 /nfs/dbraw/zinc/22/28/51/143222851.db2.gz MFCGDDAOQCYTIH-HUUCEWRRSA-N 0 3 336.392 1.455 20 5 EDBDHN Cc1nn(CCC(=O)NC[C@H]2CCCCN2C2CC2)c(C)c1[N+](=O)[O-] ZINC000347315490 143307396 /nfs/dbraw/zinc/30/73/96/143307396.db2.gz QDVJAMZZVKPBIZ-OAHLLOKOSA-N 0 3 349.435 1.931 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000416496917 304325439 /nfs/dbraw/zinc/32/54/39/304325439.db2.gz RHEHICDGEDJOIN-LBPRGKRZSA-N 0 3 327.406 1.442 20 5 EDBDHN C[C@H](N[C@@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369880421 155216220 /nfs/dbraw/zinc/21/62/20/155216220.db2.gz ALXWUOXTRVJQCD-DOTOQJQBSA-N 0 3 348.447 1.652 20 5 EDBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCN(C)C1=O ZINC000352659037 149104984 /nfs/dbraw/zinc/10/49/84/149104984.db2.gz HTOHCLORJAFTCZ-GFCCVEGCSA-N 0 3 348.359 1.055 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000354916541 150030296 /nfs/dbraw/zinc/03/02/96/150030296.db2.gz GTRHBFVBTSYXNE-RYUDHWBXSA-N 0 3 347.375 1.805 20 5 EDBDHN CN(CCNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364376085 153220852 /nfs/dbraw/zinc/22/08/52/153220852.db2.gz COIPSNPHJIBDNI-ZDUSSCGKSA-N 0 3 336.396 1.232 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(N2CCCC[C@H](N3CCN(C)CC3)C2)n1 ZINC000127055276 292285347 /nfs/dbraw/zinc/28/53/47/292285347.db2.gz NHLQORMTPISHJD-HNNXBMFYSA-N 0 3 333.436 1.905 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c1C ZINC000120499833 292291129 /nfs/dbraw/zinc/29/11/29/292291129.db2.gz VYZDGNIWQNPZIS-CYBMUJFWSA-N 0 3 341.433 1.926 20 5 EDBDHN O=C(N[C@H]1CNCCC1(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575159645 306665784 /nfs/dbraw/zinc/66/57/84/306665784.db2.gz ZVOAKVWWLBNKAO-ZDUSSCGKSA-N 0 3 340.330 1.660 20 5 EDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](N2CCCCC2)C1 ZINC000373953368 157079566 /nfs/dbraw/zinc/07/95/66/157079566.db2.gz FJFSVWSAFYPIPS-GFCCVEGCSA-N 0 3 333.392 1.543 20 5 EDBDHN O=C(CCN1CCC[C@@H](c2nnc[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000374545786 157323516 /nfs/dbraw/zinc/32/35/16/157323516.db2.gz NSRNIUXIQWMQEE-GFCCVEGCSA-N 0 3 344.375 1.921 20 5 EDBDHN CCN1CCc2c(cccc2NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000378399568 158163430 /nfs/dbraw/zinc/16/34/30/158163430.db2.gz GEAMPEIOEFTUHO-UHFFFAOYSA-N 0 3 329.360 1.959 20 5 EDBDHN O=C(CCN1CCN([C@H]2CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000378400833 158164370 /nfs/dbraw/zinc/16/43/70/158164370.db2.gz WNCUIAOCRHXNPZ-INIZCTEOSA-N 0 3 348.403 1.330 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000364952827 162345201 /nfs/dbraw/zinc/34/52/01/162345201.db2.gz JVINOHFWBDQJFO-CYBMUJFWSA-N 0 3 336.392 1.824 20 5 EDBDHN COc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000366549280 162392330 /nfs/dbraw/zinc/39/23/30/162392330.db2.gz DUTWDMBFYGFEIM-AWEZNQCLSA-N 0 3 349.387 1.587 20 5 EDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H](O)CN1CCCCC1 ZINC000159938222 225306599 /nfs/dbraw/zinc/30/65/99/225306599.db2.gz MBTAUNAOEFEMGM-XVJNWHFHSA-N 0 3 333.388 1.571 20 5 EDBDHN CN(C)CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])o2)ccn1 ZINC000124334267 222413315 /nfs/dbraw/zinc/41/33/15/222413315.db2.gz CTIBTULEBWHPJV-UHFFFAOYSA-N 0 3 334.332 1.453 20 5 EDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000274057481 268103476 /nfs/dbraw/zinc/10/34/76/268103476.db2.gz ZOUAFOJSSWJHBK-DOMZBBRYSA-N 0 3 341.433 1.946 20 5 EDBDHN C[C@@H]1CN[C@@H](C)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420241035 277935731 /nfs/dbraw/zinc/93/57/31/277935731.db2.gz VDTTYQBCSSTCDM-NWDGAFQWSA-N 0 3 343.387 1.746 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H](N(C)C)C2)n1 ZINC000286501421 288020961 /nfs/dbraw/zinc/02/09/61/288020961.db2.gz MZIVPIQUCZFXNW-NWDGAFQWSA-N 0 3 340.405 1.258 20 5 EDBDHN Cc1c(NC(=O)C(=O)N[C@@H](C)CN(C)C)c(F)ccc1[N+](=O)[O-] ZINC000288110513 288406243 /nfs/dbraw/zinc/40/62/43/288406243.db2.gz JFMRURQJNZIASW-QMMMGPOBSA-N 0 3 326.328 1.047 20 5 EDBDHN CC(C)(C)N1CC[C@](F)(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000291200853 289017169 /nfs/dbraw/zinc/01/71/69/289017169.db2.gz GAROLKLQPMYCQQ-CQSZACIVSA-N 0 3 327.360 1.120 20 5 EDBDHN CC1(C)OCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000294390952 303101015 /nfs/dbraw/zinc/10/10/15/303101015.db2.gz RZKGSKUPSDCKKO-ZDUSSCGKSA-N 0 3 328.390 1.526 20 5 EDBDHN CC1(C)OCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000294390950 303101249 /nfs/dbraw/zinc/10/12/49/303101249.db2.gz RZKGSKUPSDCKKO-CYBMUJFWSA-N 0 3 328.390 1.526 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000294474222 303112452 /nfs/dbraw/zinc/11/24/52/303112452.db2.gz BBNZEUOAVPCFDW-ZWNOBZJWSA-N 0 3 341.795 1.775 20 5 EDBDHN COCCN(C)CCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000295467792 303223749 /nfs/dbraw/zinc/22/37/49/303223749.db2.gz ILDYTYDWPBDQDD-UHFFFAOYSA-N 0 3 325.365 1.300 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000295824828 303272526 /nfs/dbraw/zinc/27/25/26/303272526.db2.gz VOWBKMYVTSMSMX-MNOVXSKESA-N 0 3 325.365 1.539 20 5 EDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCCN(CCCO)C1 ZINC000296206746 303302947 /nfs/dbraw/zinc/30/29/47/303302947.db2.gz IHZLQUVRQDNAIY-NSHDSACASA-N 0 3 340.355 1.702 20 5 EDBDHN CN(C)CCN(CC1CCCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299579111 303631592 /nfs/dbraw/zinc/63/15/92/303631592.db2.gz BQWYIFWYXSLAJM-UHFFFAOYSA-N 0 3 337.424 1.762 20 5 EDBDHN N[C@@H]1C[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000424067279 304927230 /nfs/dbraw/zinc/92/72/30/304927230.db2.gz PDVQYADICBHVNW-DTWKUNHWSA-N 0 3 332.282 1.489 20 5 EDBDHN O=C(CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCC(F)(F)F ZINC000447542165 305281723 /nfs/dbraw/zinc/28/17/23/305281723.db2.gz OBDFQXQJFBXZBQ-UWVGGRQHSA-N 0 3 349.313 1.543 20 5 EDBDHN O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448707297 305301755 /nfs/dbraw/zinc/30/17/55/305301755.db2.gz JQIZCMUVNXAYSX-UHFFFAOYSA-N 0 3 343.387 1.996 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@](O)(C(F)F)C1 ZINC000451424865 305345316 /nfs/dbraw/zinc/34/53/16/305345316.db2.gz GOECHVRYFNWFGH-OAHLLOKOSA-N 0 3 343.330 1.934 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@](O)(C(F)F)C1 ZINC000451437069 305346164 /nfs/dbraw/zinc/34/61/64/305346164.db2.gz SFVQVKBNZNYQJZ-OAHLLOKOSA-N 0 3 343.330 1.934 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000535728263 306015354 /nfs/dbraw/zinc/01/53/54/306015354.db2.gz VRWKHEPIRMNQKG-ZDUSSCGKSA-N 0 3 343.387 1.852 20 5 EDBDHN CN1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000061031688 441264011 /nfs/dbraw/zinc/26/40/11/441264011.db2.gz XSCPAXFRJWEGTI-UHFFFAOYSA-N 0 3 329.360 1.605 20 5 EDBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000064994930 441399905 /nfs/dbraw/zinc/39/99/05/441399905.db2.gz CLMLPHYBLHBEBO-DZGCQCFKSA-N 0 3 335.404 1.958 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000090015517 441614292 /nfs/dbraw/zinc/61/42/92/441614292.db2.gz JUFFTDQUDFEMTK-YNEHKIRRSA-N 0 3 339.417 1.651 20 5 EDBDHN CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000090015447 441614773 /nfs/dbraw/zinc/61/47/73/441614773.db2.gz JFLLJSFLMJMSKB-GFCCVEGCSA-N 0 3 329.422 1.897 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCCO)Cc1ccccc1 ZINC000090552683 441634922 /nfs/dbraw/zinc/63/49/22/441634922.db2.gz AZJLSECBXIEMRM-UHFFFAOYSA-N 0 3 331.372 1.641 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000043146191 441822630 /nfs/dbraw/zinc/82/26/30/441822630.db2.gz VMJYAEYJFHCHCR-CYBMUJFWSA-N 0 3 335.408 1.742 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000069503360 441956423 /nfs/dbraw/zinc/95/64/23/441956423.db2.gz IBRUSPGWMQCTKV-ZDUSSCGKSA-N 0 3 346.387 1.917 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000069527249 441964184 /nfs/dbraw/zinc/96/41/84/441964184.db2.gz KGNYKFFAKWRMNB-CYBMUJFWSA-N 0 3 337.376 1.444 20 5 EDBDHN CSCC[C@@H](N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000161543406 442010685 /nfs/dbraw/zinc/01/06/85/442010685.db2.gz GIBSGOCXJBBXLR-GFCCVEGCSA-N 0 3 340.449 1.902 20 5 EDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162196724 442073072 /nfs/dbraw/zinc/07/30/72/442073072.db2.gz STBMXXKIHVTSMW-MRXNPFEDSA-N 0 3 332.404 1.333 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000177163836 442308336 /nfs/dbraw/zinc/30/83/36/442308336.db2.gz BHVBONPNKVUQSV-NXEZZACHSA-N 0 3 329.360 1.826 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171900204 442389041 /nfs/dbraw/zinc/38/90/41/442389041.db2.gz JTEMXPZTXFRYKA-AWEZNQCLSA-N 0 3 336.392 1.505 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CCCO)c2ccccc2)c1 ZINC000179760687 442498275 /nfs/dbraw/zinc/49/82/75/442498275.db2.gz IPSVDIKNORQTHC-JKSUJKDBSA-N 0 3 334.376 1.256 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000191953596 442546126 /nfs/dbraw/zinc/54/61/26/442546126.db2.gz LWTYTJXUJHJGFE-ZDUSSCGKSA-N 0 3 341.433 1.832 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186705170 442596259 /nfs/dbraw/zinc/59/62/59/442596259.db2.gz KWOOTCAMRTXLCC-DOTOQJQBSA-N 0 3 344.371 1.284 20 5 EDBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])cnc1N)Cc1ccccc1 ZINC000180544839 442619693 /nfs/dbraw/zinc/61/96/93/442619693.db2.gz MDVHZDIXGVXQCL-UHFFFAOYSA-N 0 3 329.360 1.434 20 5 EDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000268139401 442865112 /nfs/dbraw/zinc/86/51/12/442865112.db2.gz NJECCTPDPGVONI-AWEZNQCLSA-N 0 3 344.375 1.342 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)N2CCOCC2)CC1 ZINC000183237190 442909481 /nfs/dbraw/zinc/90/94/81/442909481.db2.gz RJHKPOHYXKNYNW-UHFFFAOYSA-N 0 3 347.415 1.974 20 5 EDBDHN Cc1c(C(=O)NC[C@H]2CCCN2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000194711896 442941206 /nfs/dbraw/zinc/94/12/06/442941206.db2.gz GSDYXPDIEGXUDG-CQSZACIVSA-N 0 3 344.375 1.308 20 5 EDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000194943896 442971565 /nfs/dbraw/zinc/97/15/65/442971565.db2.gz JMCWKRRBSCAZMM-GFCCVEGCSA-N 0 3 327.406 1.839 20 5 EDBDHN CNC(=O)[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000183681432 442952468 /nfs/dbraw/zinc/95/24/68/442952468.db2.gz JXCASQFUOHCQHC-HNNXBMFYSA-N 0 3 336.392 1.592 20 5 EDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@](C)(O)CN(C)C ZINC000184898011 443094204 /nfs/dbraw/zinc/09/42/04/443094204.db2.gz FOYKNMQVGWJTCM-WMLDXEAASA-N 0 3 337.420 1.592 20 5 EDBDHN COCCN(C)CCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266655352 443199469 /nfs/dbraw/zinc/19/94/69/443199469.db2.gz IFIBFNAFWWGFIR-UHFFFAOYSA-N 0 3 338.408 1.405 20 5 EDBDHN CCN1CC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000412829826 319243677 /nfs/dbraw/zinc/24/36/77/319243677.db2.gz AIIJFFQAOREGEQ-JTQLQIEISA-N 0 3 330.344 1.673 20 5 EDBDHN CN(CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264606714 443344366 /nfs/dbraw/zinc/34/43/66/443344366.db2.gz DJHNDPDKYPVUDZ-UHFFFAOYSA-N 0 3 337.380 1.577 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272592437 443376323 /nfs/dbraw/zinc/37/63/23/443376323.db2.gz NYIXZIASTXBREJ-ZBFHGGJFSA-N 0 3 332.404 1.873 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(CCCO)CC2)c1 ZINC000272877925 443476043 /nfs/dbraw/zinc/47/60/43/443476043.db2.gz WEPMPZOTDVDGRZ-INIZCTEOSA-N 0 3 338.404 1.819 20 5 EDBDHN COc1ccc(NC(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272879235 443476861 /nfs/dbraw/zinc/47/68/61/443476861.db2.gz WHLYHICUUISDDJ-UHFFFAOYSA-N 0 3 338.364 1.182 20 5 EDBDHN C[C@H]1CN(CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CCCO1 ZINC000278800386 443444776 /nfs/dbraw/zinc/44/47/76/443444776.db2.gz ZCODZKKFTQARKC-LBPRGKRZSA-N 0 3 336.392 1.408 20 5 EDBDHN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC2CC2)CC1 ZINC000283131289 443534808 /nfs/dbraw/zinc/53/48/08/443534808.db2.gz KWKNBCSSDKYMAS-UHFFFAOYSA-N 0 3 342.403 1.922 20 5 EDBDHN C[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000273449451 443573698 /nfs/dbraw/zinc/57/36/98/443573698.db2.gz OMWUWBFIEHZAJM-QWHCGFSZSA-N 0 3 341.433 1.441 20 5 EDBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1 ZINC000286029137 443629244 /nfs/dbraw/zinc/62/92/44/443629244.db2.gz KCTQGGOJQSNIOZ-ZDUSSCGKSA-N 0 3 347.375 1.668 20 5 EDBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCCNCC1 ZINC000428422177 319911716 /nfs/dbraw/zinc/91/17/16/319911716.db2.gz QSLCVGKCIRDJAY-UHFFFAOYSA-N 0 3 328.166 1.793 20 5 EDBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000286065279 443638403 /nfs/dbraw/zinc/63/84/03/443638403.db2.gz RRRIDSLOPMFUDT-CABCVRRESA-N 0 3 335.404 1.769 20 5 EDBDHN O=C1CC[C@@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCN1 ZINC000450262347 320217217 /nfs/dbraw/zinc/21/72/17/320217217.db2.gz SCJLFTPOFVFIFD-CQSZACIVSA-N 0 3 332.404 1.633 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](N3CCCC3)C[C@@H]2C)n1 ZINC000286363866 443698559 /nfs/dbraw/zinc/69/85/59/443698559.db2.gz NIYFTMASDFCJGM-NWDGAFQWSA-N 0 3 334.376 1.839 20 5 EDBDHN Cc1nn(C)c(C(=O)Nc2ccc3c(c2)CNCCO3)c1[N+](=O)[O-] ZINC000291087021 443748364 /nfs/dbraw/zinc/74/83/64/443748364.db2.gz PKFGWPIIRUVINU-UHFFFAOYSA-N 0 3 331.332 1.371 20 5 EDBDHN COC(=O)c1cnc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000276649118 443777560 /nfs/dbraw/zinc/77/75/60/443777560.db2.gz YUBCMNNETPUDAH-UHFFFAOYSA-N 0 3 338.364 1.035 20 5 EDBDHN CN(C)CC1(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000281435901 443911376 /nfs/dbraw/zinc/91/13/76/443911376.db2.gz GVHPSWUKOXHTMV-UHFFFAOYSA-N 0 3 327.406 1.499 20 5 EDBDHN CN1CC[C@H]2OCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000285260617 443916398 /nfs/dbraw/zinc/91/63/98/443916398.db2.gz MLDHUFKPSRLLEM-KEMBLGFASA-N 0 3 331.372 1.540 20 5 EDBDHN CCN1CCC(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000299232176 443991094 /nfs/dbraw/zinc/99/10/94/443991094.db2.gz HHXCDPFNZFVXSF-UHFFFAOYSA-N 0 3 348.403 1.234 20 5 EDBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN2CCC[C@H]2C1 ZINC000299399531 444037640 /nfs/dbraw/zinc/03/76/40/444037640.db2.gz JWNWGWQIBKFJNI-NSHDSACASA-N 0 3 333.344 1.286 20 5 EDBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCC(=O)N[C@H]2C)cccc1[N+](=O)[O-] ZINC000282044137 444071179 /nfs/dbraw/zinc/07/11/79/444071179.db2.gz ATTIOLGYCWGXRV-GVXVVHGQSA-N 0 3 334.376 1.487 20 5 EDBDHN Cc1ccc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000301800421 444191021 /nfs/dbraw/zinc/19/10/21/444191021.db2.gz BWDOSMVVODGIDF-OAHLLOKOSA-N 0 3 332.404 1.822 20 5 EDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000301952677 444198197 /nfs/dbraw/zinc/19/81/97/444198197.db2.gz JMTOOEXQCXMISQ-CQSZACIVSA-N 0 3 333.392 1.217 20 5 EDBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290623095 444302773 /nfs/dbraw/zinc/30/27/73/444302773.db2.gz LQUUDTWBAUJMCM-UTUOFQBUSA-N 0 3 335.408 1.867 20 5 EDBDHN O=C(N[C@H]1CNCCC1(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000579233685 321904868 /nfs/dbraw/zinc/90/48/68/321904868.db2.gz SULPWTQPIHFAAG-NSHDSACASA-N 0 3 329.259 1.051 20 5 EDBDHN C[C@H](NCC(=O)NC1CCN(C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000342292592 444615943 /nfs/dbraw/zinc/61/59/43/444615943.db2.gz FOOFYDWTJMVSJI-ZDUSSCGKSA-N 0 3 346.431 1.988 20 5 EDBDHN CC1(C)NC(=O)CC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000338472626 444711411 /nfs/dbraw/zinc/71/14/11/444711411.db2.gz BWQPZIBYHHAMSL-CYBMUJFWSA-N 0 3 335.360 1.608 20 5 EDBDHN CN(C)CCOC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000342529778 444733422 /nfs/dbraw/zinc/73/34/22/444733422.db2.gz CRXZBZCOOMAAHG-UHFFFAOYSA-N 0 3 339.367 1.917 20 5 EDBDHN O=C1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2(CCC2)N1 ZINC000338632593 444783956 /nfs/dbraw/zinc/78/39/56/444783956.db2.gz IZSMYDUYHRFLQZ-CYBMUJFWSA-N 0 3 329.360 1.762 20 5 EDBDHN CN(C)CCOc1cnccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342615294 444777733 /nfs/dbraw/zinc/77/77/33/444777733.db2.gz FUUJAIUDYXZBDP-UHFFFAOYSA-N 0 3 333.348 1.188 20 5 EDBDHN C[C@H]1[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000344298739 444886849 /nfs/dbraw/zinc/88/68/49/444886849.db2.gz RVPABEMFELJRKW-SWLSCSKDSA-N 0 3 335.408 1.789 20 5 EDBDHN CS[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000330644125 445076276 /nfs/dbraw/zinc/07/62/76/445076276.db2.gz FIWNCTLVBHMLGP-NWDGAFQWSA-N 0 3 341.437 1.030 20 5 EDBDHN CC(=O)N[C@@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000339186109 445078758 /nfs/dbraw/zinc/07/87/58/445078758.db2.gz OPYJJOIOSANKLV-CQSZACIVSA-N 0 3 348.403 1.832 20 5 EDBDHN COc1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000343405853 445216820 /nfs/dbraw/zinc/21/68/20/445216820.db2.gz UFUWRHWSOKWWIT-WFASDCNBSA-N 0 3 332.360 1.957 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[C@H]1N1CCN(C)CC1 ZINC000343316060 445195795 /nfs/dbraw/zinc/19/57/95/445195795.db2.gz DOLAWWPKAQTIHZ-GXTWGEPZSA-N 0 3 335.408 1.021 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000351810994 445329745 /nfs/dbraw/zinc/32/97/45/445329745.db2.gz NGFXWJJVQAZFGE-CYBMUJFWSA-N 0 3 341.433 1.926 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])N(C)C1 ZINC000348707102 445350250 /nfs/dbraw/zinc/35/02/50/445350250.db2.gz WRDTVRSAAJGMPV-CHWSQXEVSA-N 0 3 336.392 1.184 20 5 EDBDHN O=C(CCOC1CNC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000348992112 445468916 /nfs/dbraw/zinc/46/89/16/445468916.db2.gz HMOAXYKPMZSCCQ-UHFFFAOYSA-N 0 3 349.387 1.343 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000359982666 445513550 /nfs/dbraw/zinc/51/35/50/445513550.db2.gz YCTCYSTYFCQEGS-NWDGAFQWSA-N 0 3 325.390 1.261 20 5 EDBDHN CCc1nnc2n1C[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000363094141 445674501 /nfs/dbraw/zinc/67/45/01/445674501.db2.gz SLIWTNDSLNRKSF-GFCCVEGCSA-N 0 3 331.376 1.862 20 5 EDBDHN CN(C)CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC1 ZINC000356291685 445721458 /nfs/dbraw/zinc/72/14/58/445721458.db2.gz FUCRGVPIBFPBFT-UHFFFAOYSA-N 0 3 343.387 1.947 20 5 EDBDHN COCCN(C)CCCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358700965 445726788 /nfs/dbraw/zinc/72/67/88/445726788.db2.gz ZSYWJQPNJAJRNX-UHFFFAOYSA-N 0 3 338.408 1.671 20 5 EDBDHN CN1CCC(CCO)(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000354146665 445944073 /nfs/dbraw/zinc/94/40/73/445944073.db2.gz DDPIQGNVSJCMOB-UHFFFAOYSA-N 0 3 347.375 1.048 20 5 EDBDHN CN1CCC(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cn2)CC1 ZINC000354254694 446049306 /nfs/dbraw/zinc/04/93/06/446049306.db2.gz PYUPUYVYXXIUBW-UHFFFAOYSA-N 0 3 346.347 1.438 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000366191797 446073706 /nfs/dbraw/zinc/07/37/06/446073706.db2.gz GRCDBNIHRDHHKS-CQSZACIVSA-N 0 3 349.387 1.587 20 5 EDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000366200529 446080202 /nfs/dbraw/zinc/08/02/02/446080202.db2.gz JSBMRVXZFRVKOA-CYBMUJFWSA-N 0 3 337.351 1.717 20 5 EDBDHN CC1(O)C[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366678421 446306655 /nfs/dbraw/zinc/30/66/55/446306655.db2.gz TUIHGWPEXIDYCW-AWVCJSPBSA-N 0 3 336.388 1.712 20 5 EDBDHN O=C(NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)c1ccco1 ZINC000374549946 446374797 /nfs/dbraw/zinc/37/47/97/446374797.db2.gz HDBUFTPWVJTPBW-ZDUSSCGKSA-N 0 3 347.375 1.526 20 5 EDBDHN CC(C)NC(=O)c1ccc(N2CCNC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420260998 446437299 /nfs/dbraw/zinc/43/72/99/446437299.db2.gz JVVZDESWOHYBQY-INIZCTEOSA-N 0 3 338.383 1.871 20 5 EDBDHN CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](CN)C1CC1 ZINC000420306782 446470253 /nfs/dbraw/zinc/47/02/53/446470253.db2.gz BKTFBCIMZVDJIA-AWEZNQCLSA-N 0 3 327.406 1.038 20 5 EDBDHN Nc1nccc([C@H]2CCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000367214124 446523967 /nfs/dbraw/zinc/52/39/67/446523967.db2.gz QWZOGAZMUIYSFM-XJKSGUPXSA-N 0 3 343.387 1.880 20 5 EDBDHN CC1=C(c2ccco2)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000367225348 446525300 /nfs/dbraw/zinc/52/53/00/446525300.db2.gz QXTHOCWNSOXAKH-AWEZNQCLSA-N 0 3 332.360 1.925 20 5 EDBDHN O=C(CNC[C@H]1CCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423718115 446658190 /nfs/dbraw/zinc/65/81/90/446658190.db2.gz BXVCSOWXSUSFPD-OAHLLOKOSA-N 0 3 333.388 1.854 20 5 EDBDHN NC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000376696794 446659164 /nfs/dbraw/zinc/65/91/64/446659164.db2.gz ZNMZIDDADGGQEI-UHFFFAOYSA-N 0 3 340.383 1.619 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000420446677 446622886 /nfs/dbraw/zinc/62/28/86/446622886.db2.gz IBSNGTVGBWSTCD-UHFFFAOYSA-N 0 3 327.406 1.632 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN1CCCO ZINC000454154433 446792458 /nfs/dbraw/zinc/79/24/58/446792458.db2.gz VSDUXYZHTXIQGI-CQSZACIVSA-N 0 3 336.392 1.872 20 5 EDBDHN COCC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979038 446951882 /nfs/dbraw/zinc/95/18/82/446951882.db2.gz YFOXGJPIBZAVSS-GFCCVEGCSA-N 0 3 345.421 1.230 20 5 EDBDHN C[C@@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000419158769 446975287 /nfs/dbraw/zinc/97/52/87/446975287.db2.gz YFMXGYLRKQSDJA-BXUZGUMPSA-N 0 3 348.403 1.406 20 5 EDBDHN CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000419159060 446975379 /nfs/dbraw/zinc/97/53/79/446975379.db2.gz FQBXGPAWKZNRRJ-ZIAGYGMSSA-N 0 3 334.376 1.112 20 5 EDBDHN Nc1nc(NC[C@H]2CCCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000377456521 447141779 /nfs/dbraw/zinc/14/17/79/447141779.db2.gz XRMQPXMGHPHCHH-CQSZACIVSA-N 0 3 342.403 1.713 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377481192 447153490 /nfs/dbraw/zinc/15/34/90/447153490.db2.gz HJXULWSRHOUQAI-NWDGAFQWSA-N 0 3 339.779 1.841 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421704736 447224701 /nfs/dbraw/zinc/22/47/01/447224701.db2.gz PPLBXPDLYZBHOR-OAHLLOKOSA-N 0 3 348.403 1.267 20 5 EDBDHN Cc1c(CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000422384360 447517150 /nfs/dbraw/zinc/51/71/50/447517150.db2.gz WUQNCRQWVNDWAK-CQSZACIVSA-N 0 3 348.403 1.072 20 5 EDBDHN CC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452107418 447815549 /nfs/dbraw/zinc/81/55/49/447815549.db2.gz AXPFJPFXNJMZFB-VNHYZAJKSA-N 0 3 336.388 1.691 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@]3(CCOC3)C2)c1 ZINC000451900008 447777193 /nfs/dbraw/zinc/77/71/93/447777193.db2.gz JOOCYQNFHPPSFH-NVXWUHKLSA-N 0 3 336.388 1.837 20 5 EDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000451917724 447783354 /nfs/dbraw/zinc/78/33/54/447783354.db2.gz NZQGCPKTEUCSKD-CABCVRRESA-N 0 3 346.431 1.942 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(CC2CCC2)CC1 ZINC000550119725 447886619 /nfs/dbraw/zinc/88/66/19/447886619.db2.gz HNXQOOIQHHNQGR-UHFFFAOYSA-N 0 3 335.408 1.434 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000524721291 447944719 /nfs/dbraw/zinc/94/47/19/447944719.db2.gz KRVLMADPVUPGMN-CYBMUJFWSA-N 0 3 343.387 1.852 20 5 EDBDHN CNc1nccc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000575933700 447932809 /nfs/dbraw/zinc/93/28/09/447932809.db2.gz SODAPIPMONDXMY-WCQYABFASA-N 0 3 333.392 1.588 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000525804977 448027614 /nfs/dbraw/zinc/02/76/14/448027614.db2.gz ZOTLTYMUXFVELP-CYBMUJFWSA-N 0 3 348.403 1.173 20 5 EDBDHN CNc1nccc(C(=O)N[C@@H](CC(C)C)CN2CCCC2)c1[N+](=O)[O-] ZINC000563548150 448306508 /nfs/dbraw/zinc/30/65/08/448306508.db2.gz XNLXTOUVIMVRAL-ZDUSSCGKSA-N 0 3 349.435 2.272 20 5 EDBDHN CS(=O)(=O)N1CCC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577648809 448352186 /nfs/dbraw/zinc/35/21/86/448352186.db2.gz KLGFAIUFJJWZFX-FZMZJTMJSA-N 0 3 339.417 1.596 20 5 EDBDHN C[C@H]1CCN(CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000535042186 448478415 /nfs/dbraw/zinc/47/84/15/448478415.db2.gz UZISRVXSRISMGR-ZDUSSCGKSA-N 0 3 341.433 1.399 20 5 EDBDHN CN(C)[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1O ZINC000578253119 448500607 /nfs/dbraw/zinc/50/06/07/448500607.db2.gz IOTUNVIEXLPDFH-RYUDHWBXSA-N 0 3 335.385 1.556 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCC[C@H]2O)cc1 ZINC000573091253 448541646 /nfs/dbraw/zinc/54/16/46/448541646.db2.gz ZOOHFEPJDVFESH-ZIAGYGMSSA-N 0 3 328.390 1.262 20 5 EDBDHN CCOC(=O)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000567011878 448600063 /nfs/dbraw/zinc/60/00/63/448600063.db2.gz JQRQCVPUTKACTA-HNNXBMFYSA-N 0 3 348.359 1.119 20 5 EDBDHN CNc1nccc(C(=O)N2CCCN(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000518215492 448655747 /nfs/dbraw/zinc/65/57/47/448655747.db2.gz SSIRIKNRKXDFEK-UHFFFAOYSA-N 0 3 347.419 1.980 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccccc3F)CCC2)c1 ZINC000592144243 448704011 /nfs/dbraw/zinc/70/40/11/448704011.db2.gz GAUCNXHZXLDXTN-ZDUSSCGKSA-N 0 3 334.351 1.960 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000579317880 448763396 /nfs/dbraw/zinc/76/33/96/448763396.db2.gz WMADYDPGGKWQII-WBMJQRKESA-N 0 3 341.371 1.557 20 5 EDBDHN CN(C)[C@@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000579278313 448759256 /nfs/dbraw/zinc/75/92/56/448759256.db2.gz PALYEMPHFNFLSJ-ZFWWWQNUSA-N 0 3 349.387 1.820 20 5 EDBDHN NC[C@@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000574261703 448829580 /nfs/dbraw/zinc/82/95/80/448829580.db2.gz QKHPERHFOQJEPF-OAHLLOKOSA-N 0 3 348.403 1.235 20 5 EDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCCN1C1CCCC1 ZINC000579673890 448845976 /nfs/dbraw/zinc/84/59/76/448845976.db2.gz UUNCSHHCHOHWKG-HNNXBMFYSA-N 0 3 335.408 1.705 20 5 EDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCCC1(F)F ZINC000592483053 448856052 /nfs/dbraw/zinc/85/60/52/448856052.db2.gz UYLHSRXUXDVQDU-LBPRGKRZSA-N 0 3 328.319 1.368 20 5 EDBDHN COC(=O)[C@@H]1CNCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592488526 448859062 /nfs/dbraw/zinc/85/90/62/448859062.db2.gz LAIRUAJRYFHSOH-ZDUSSCGKSA-N 0 3 327.768 1.585 20 5 EDBDHN COc1c(C(=O)N2CCOC3(CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000592898320 449042020 /nfs/dbraw/zinc/04/20/20/449042020.db2.gz FSYPZUNWLAIYLT-UHFFFAOYSA-N 0 3 349.387 1.540 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592898584 449042500 /nfs/dbraw/zinc/04/25/00/449042500.db2.gz INJVVWGBYGPJIA-UHFFFAOYSA-N 0 3 334.376 1.235 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CO)[C@H]2CCCOC2)c1 ZINC000593034103 449109373 /nfs/dbraw/zinc/10/93/73/449109373.db2.gz HUUTTZHZOYMTFF-JSGCOSHPSA-N 0 3 338.360 1.259 20 5 EDBDHN CCN1CC[C@H]2OCCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000590141613 449111860 /nfs/dbraw/zinc/11/18/60/449111860.db2.gz SHCXHFPNSXBMDD-JKSUJKDBSA-N 0 3 343.387 1.837 20 5 EDBDHN C[C@@H](CN(C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599939986 449117821 /nfs/dbraw/zinc/11/78/21/449117821.db2.gz FCLCWTBLYGBHRX-JTQLQIEISA-N 0 3 335.339 1.600 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590280596 449123762 /nfs/dbraw/zinc/12/37/62/449123762.db2.gz IKLGUQBDGUXIJV-FZMZJTMJSA-N 0 3 332.360 1.004 20 5 EDBDHN CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCN(C)C1 ZINC000597946353 449154016 /nfs/dbraw/zinc/15/40/16/449154016.db2.gz OYFPDKPGXGYXOM-JTQLQIEISA-N 0 3 327.331 1.968 20 5 EDBDHN CN([C@H](CN)C(F)(F)F)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595908088 449246194 /nfs/dbraw/zinc/24/61/94/449246194.db2.gz MSFXRPCZROTTHL-NWDGAFQWSA-N 0 3 346.309 1.522 20 5 EDBDHN CNc1nccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598222065 449298954 /nfs/dbraw/zinc/29/89/54/449298954.db2.gz ZQLBIDOUMWTDPH-GFCCVEGCSA-N 0 3 347.419 2.168 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000598342756 449357131 /nfs/dbraw/zinc/35/71/31/449357131.db2.gz PXAHGCBOJLBRRF-CYBMUJFWSA-N 0 3 343.387 1.995 20 5 EDBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000596098749 449360354 /nfs/dbraw/zinc/36/03/54/449360354.db2.gz VBSRGXJTSSDJBG-UHFFFAOYSA-N 0 3 346.387 1.009 20 5 EDBDHN CCN1CCC[C@@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596050843 449337445 /nfs/dbraw/zinc/33/74/45/449337445.db2.gz RGXBOBGXGMWVDA-LLVKDONJSA-N 0 3 328.394 1.138 20 5 EDBDHN CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598536344 449451545 /nfs/dbraw/zinc/45/15/45/449451545.db2.gz SGMJCLHQUGDOBC-OUCADQQQSA-N 0 3 348.403 1.312 20 5 EDBDHN CNc1nccc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000594362494 449468532 /nfs/dbraw/zinc/46/85/32/449468532.db2.gz NGGXUJULWBHLSP-WCQYABFASA-N 0 3 333.392 1.730 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN1 ZINC000598574299 449471586 /nfs/dbraw/zinc/47/15/86/449471586.db2.gz LVOCHQAPPHEHSP-ZDUSSCGKSA-N 0 3 344.375 1.246 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](n2ccnc2)C1 ZINC000612030435 449527915 /nfs/dbraw/zinc/52/79/15/449527915.db2.gz HDILVIJBGVJZRW-HUUCEWRRSA-N 0 3 346.387 1.868 20 5 EDBDHN CCCN1CC[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000596516010 449537061 /nfs/dbraw/zinc/53/70/61/449537061.db2.gz BSMIDYWHMGGEAV-SNVBAGLBSA-N 0 3 328.394 1.138 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598897015 449636080 /nfs/dbraw/zinc/63/60/80/449636080.db2.gz WCTMKMHLRJPDQM-LBPRGKRZSA-N 0 3 349.391 1.174 20 5 EDBDHN CC(C)(C)N1CC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000594801468 449713293 /nfs/dbraw/zinc/71/32/93/449713293.db2.gz PCMSPCVDQSRMDX-CYBMUJFWSA-N 0 3 341.433 1.887 20 5 EDBDHN CSCC[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000602665756 449739610 /nfs/dbraw/zinc/73/96/10/449739610.db2.gz UXEJLZKGFFHQHS-AWEZNQCLSA-N 0 3 325.434 1.937 20 5 EDBDHN COc1cc(CNC[C@H]2COCCN2C)c([N+](=O)[O-])cc1OC ZINC000599002885 449690217 /nfs/dbraw/zinc/69/02/17/449690217.db2.gz DIWLWQDDLNURHB-LBPRGKRZSA-N 0 3 325.365 1.032 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCNS(C)(=O)=O ZINC000595004977 449840246 /nfs/dbraw/zinc/84/02/46/449840246.db2.gz VLHWDWZINUFDST-SNVBAGLBSA-N 0 3 331.394 1.193 20 5 EDBDHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000597190440 449864790 /nfs/dbraw/zinc/86/47/90/449864790.db2.gz JZUSXGRZEDXGJO-CORIIIEPSA-N 0 3 342.417 1.318 20 5 EDBDHN N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1F ZINC000595122368 449883636 /nfs/dbraw/zinc/88/36/36/449883636.db2.gz XIBRSQJMOGHRBQ-NXEZZACHSA-N 0 3 337.760 1.308 20 5 EDBDHN O=C(CNC1(CCO)CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595508056 450195634 /nfs/dbraw/zinc/19/56/34/450195634.db2.gz FYKGGUBZSVZMAU-UHFFFAOYSA-N 0 3 333.388 1.769 20 5 EDBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000618900500 450330536 /nfs/dbraw/zinc/33/05/36/450330536.db2.gz XYKZAVDLHIFOSA-TZMCWYRMSA-N 0 3 327.406 1.497 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000618923087 450341505 /nfs/dbraw/zinc/34/15/05/450341505.db2.gz CXBCMIQNBDFKFM-OAHLLOKOSA-N 0 3 341.795 1.777 20 5 EDBDHN COc1ccc(NC(=O)CCN2C[C@@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452073511 486238162 /nfs/dbraw/zinc/23/81/62/486238162.db2.gz ZBDKRKOXHGMKRU-RYUDHWBXSA-N 0 3 337.376 1.635 20 5 EDBDHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000131106480 534445868 /nfs/dbraw/zinc/44/58/68/534445868.db2.gz MQOKWKMVGGFGHN-UONOGXRCSA-N 0 3 346.387 1.118 20 5 EDBDHN CCCc1n[n-]c(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000171804070 528547735 /nfs/dbraw/zinc/54/77/35/528547735.db2.gz CHBYKZQQFLLTHV-JTQLQIEISA-N 0 3 334.380 1.841 20 5 EDBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000271074678 535411476 /nfs/dbraw/zinc/41/14/76/535411476.db2.gz GEMFNGAQOPOBSQ-UKRRQHHQSA-N 0 3 336.436 1.890 20 5 EDBDHN CCN1CCN(CCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000272094069 535683104 /nfs/dbraw/zinc/68/31/04/535683104.db2.gz KAPMJPXLMHOUHY-AWEZNQCLSA-N 0 3 334.420 1.800 20 5 EDBDHN CN(C)CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346711830 535914547 /nfs/dbraw/zinc/91/45/47/535914547.db2.gz YDYCPZKVLJARIH-UHFFFAOYSA-N 0 3 332.360 1.793 20 5 EDBDHN CCCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746108009 579572170 /nfs/dbraw/zinc/57/21/70/579572170.db2.gz VDHHBVRHVAARSE-UHFFFAOYSA-N 0 3 334.420 1.975 20 5 EDBDHN CN(C)Cc1ccc(CN(C)C(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000777521595 580443245 /nfs/dbraw/zinc/44/32/45/580443245.db2.gz KMPUKKPXBUAKLO-UHFFFAOYSA-N 0 3 331.376 1.662 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000750036265 579749338 /nfs/dbraw/zinc/74/93/38/579749338.db2.gz KHKMIHQKOCWHGC-ZWKOTPCHSA-N 0 3 349.431 1.815 20 5 EDBDHN C/C(=C\C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000751746315 579820163 /nfs/dbraw/zinc/82/01/63/579820163.db2.gz RSTYCIAUIKYZDS-WZFZXHKMSA-N 0 3 345.399 1.978 20 5 EDBDHN COC(=O)C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000754541693 579906072 /nfs/dbraw/zinc/90/60/72/579906072.db2.gz ZDBVCGICGXEEKX-HUUCEWRRSA-N 0 3 347.371 1.631 20 5 EDBDHN C[C@@H]1CCCN1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000758870097 579993776 /nfs/dbraw/zinc/99/37/76/579993776.db2.gz NFDRRGJPJFPZCL-SNVBAGLBSA-N 0 3 328.394 1.138 20 5 EDBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C1CCN(C)C1=O ZINC000772522231 580314261 /nfs/dbraw/zinc/31/42/61/580314261.db2.gz QIMPVXDKGUNHDD-ZDUSSCGKSA-N 0 3 336.344 1.904 20 5 EDBDHN C[C@H]1CCCN1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000780865044 580535575 /nfs/dbraw/zinc/53/55/75/580535575.db2.gz HZKWGXRGXJPVOQ-ZDUSSCGKSA-N 0 3 341.433 1.541 20 5 EDBDHN C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788711464 580728429 /nfs/dbraw/zinc/72/84/29/580728429.db2.gz MNFKGSRLXCQCMX-DGCLKSJQSA-N 0 3 337.376 1.750 20 5 EDBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1[N+](=O)[O-] ZINC000795220146 580916233 /nfs/dbraw/zinc/91/62/33/580916233.db2.gz JIBDAIHKLQNTPV-GFCCVEGCSA-N 0 3 349.347 1.585 20 5 EDBDHN O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738370641 598856901 /nfs/dbraw/zinc/85/69/01/598856901.db2.gz XKVQJVQYAPUDBG-LLVKDONJSA-N 0 3 344.379 1.092 20 5 EDBDHN O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738370641 598856902 /nfs/dbraw/zinc/85/69/02/598856902.db2.gz XKVQJVQYAPUDBG-LLVKDONJSA-N 0 3 344.379 1.092 20 5 EDBDHN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCCN1CC[C@@H](O)C1 ZINC000894780762 591417157 /nfs/dbraw/zinc/41/71/57/591417157.db2.gz JNSWWYGTVSPHKS-SNVBAGLBSA-N 0 3 336.779 1.697 20 5 EDBDHN COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897221893 591776335 /nfs/dbraw/zinc/77/63/35/591776335.db2.gz PXBWBKZAHPGWAW-DLBZAZTESA-N 0 3 335.404 1.777 20 5 EDBDHN CN(C)CCn1nccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000900331320 591991913 /nfs/dbraw/zinc/99/19/13/591991913.db2.gz FQIIGRDUWGKDLE-UHFFFAOYSA-N 0 3 331.376 1.325 20 5 EDBDHN COC[C@H]1CNCCN1c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000900448599 592020674 /nfs/dbraw/zinc/02/06/74/592020674.db2.gz AEFLVUCXDPRCGS-OAHLLOKOSA-N 0 3 343.387 1.785 20 5 EDBDHN CCN1CC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000905438725 592534768 /nfs/dbraw/zinc/53/47/68/592534768.db2.gz BBHQSDJSBFBPEM-CYBMUJFWSA-N 0 3 327.406 1.052 20 5 EDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000808160453 593231019 /nfs/dbraw/zinc/23/10/19/593231019.db2.gz MFBQULVWHWCUQB-RDLIDLCESA-N 0 3 331.372 1.276 20 5 EDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)[N+](=O)[O-] ZINC000813104263 593517807 /nfs/dbraw/zinc/51/78/07/593517807.db2.gz LBMBOSSNGJADCF-VHSXEESVSA-N 0 3 326.736 1.901 20 5 EDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)[N+](=O)[O-] ZINC000813111427 593518634 /nfs/dbraw/zinc/51/86/34/593518634.db2.gz HASLINRHASHFTJ-SMDDNHRTSA-N 0 3 332.356 1.737 20 5 EDBDHN C[C@H](NCc1cccc(OCC(N)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815584630 593643290 /nfs/dbraw/zinc/64/32/90/593643290.db2.gz JYVHJUTVGPMGAE-NSHDSACASA-N 0 3 344.371 1.892 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000819310679 593749985 /nfs/dbraw/zinc/74/99/85/593749985.db2.gz CQKRINTXPPVSTQ-RISCZKNCSA-N 0 3 328.390 1.043 20 5 EDBDHN O=C(CCNCCS(=O)(=O)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000819370842 593752174 /nfs/dbraw/zinc/75/21/74/593752174.db2.gz WPZBLCSMDWXNBS-UHFFFAOYSA-N 0 3 341.389 1.090 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000820263877 593804127 /nfs/dbraw/zinc/80/41/27/593804127.db2.gz INIDJEHADROSTE-GMSGAONNSA-N 0 3 342.758 1.746 20 5 EDBDHN O=[N+]([O-])c1cc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)ccc1-n1cncn1 ZINC000823259721 594177173 /nfs/dbraw/zinc/17/71/73/594177173.db2.gz PQBMTEJBGOYNLA-MXWKQRLJSA-N 0 3 339.315 1.648 20 5 EDBDHN CC(C)OCCN1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000826615584 594540838 /nfs/dbraw/zinc/54/08/38/594540838.db2.gz KUZCPRKDHYCBJS-UHFFFAOYSA-N 0 3 329.441 1.828 20 5 EDBDHN COc1cc(F)c([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC000826677218 594552982 /nfs/dbraw/zinc/55/29/82/594552982.db2.gz KHHAAKJKCMBODD-SNVBAGLBSA-N 0 3 340.355 1.299 20 5 EDBDHN CC(COC(=O)c1ccc(S(=O)(=O)CC2CC2)cc1)[N+](=O)[O-] ZINC000835453891 594829819 /nfs/dbraw/zinc/82/98/19/594829819.db2.gz HVEUDJBIGGSGKM-SNVBAGLBSA-N 0 3 327.358 1.692 20 5 EDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](CN)CC(C)C ZINC000841176506 594864047 /nfs/dbraw/zinc/86/40/47/594864047.db2.gz BLODAEQZYQXZIO-JTQLQIEISA-N 0 3 340.355 1.470 20 5 EDBDHN CC([C@H](OC(=O)c1cc(C(N)=O)cn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845873325 595085333 /nfs/dbraw/zinc/08/53/33/595085333.db2.gz CLDSAOYNAJIOEF-XPTSAGLGSA-N 0 3 349.318 1.826 20 5 EDBDHN COCCN(C)CCCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843766547 595181096 /nfs/dbraw/zinc/18/10/96/595181096.db2.gz NNVHZMBZHBXOMS-UHFFFAOYSA-N 0 3 327.356 1.740 20 5 EDBDHN CN(CCN1CCCCC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000846611095 595285169 /nfs/dbraw/zinc/28/51/69/595285169.db2.gz AAYJWMQVGVSICC-UHFFFAOYSA-N 0 3 345.403 1.889 20 5 EDBDHN C[C@H]1COCCN1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846911009 595336248 /nfs/dbraw/zinc/33/62/48/595336248.db2.gz GIIVYGBUEJADFP-KBXCAEBGSA-N 0 3 349.431 1.813 20 5 EDBDHN NC[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000848438910 595379851 /nfs/dbraw/zinc/37/98/51/595379851.db2.gz YQESFWMINJGQLE-VIFPVBQESA-N 0 3 343.664 1.936 20 5 EDBDHN COCCN1CCC(OC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000847885836 595497093 /nfs/dbraw/zinc/49/70/93/595497093.db2.gz SIDCPIWGTJBGSS-UHFFFAOYSA-N 0 3 338.360 1.871 20 5 EDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000845577898 595521265 /nfs/dbraw/zinc/52/12/65/595521265.db2.gz ZHZBNOZHZZHCBA-LLVKDONJSA-N 0 3 348.315 1.970 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000859585800 596139552 /nfs/dbraw/zinc/13/95/52/596139552.db2.gz CTUKAYKTXFSCIR-DLBZAZTESA-N 0 3 346.387 1.136 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc([N+](=O)[O-])ccc1F ZINC000854690493 596162085 /nfs/dbraw/zinc/16/20/85/596162085.db2.gz XFMNCZMCVVWODL-LBPRGKRZSA-N 0 3 325.340 1.311 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCNCCC2(C)C)c(F)cc1[N+](=O)[O-] ZINC000866803385 596355110 /nfs/dbraw/zinc/35/51/10/596355110.db2.gz UHLCHQFVBHDEKW-UHFFFAOYSA-N 0 3 345.396 1.805 20 5 EDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000867812078 596563473 /nfs/dbraw/zinc/56/34/73/596563473.db2.gz HWSINJPEBUBXDU-ZJUUUORDSA-N 0 3 331.419 1.371 20 5 EDBDHN COC(=O)C1=CC[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000863572283 596622666 /nfs/dbraw/zinc/62/26/66/596622666.db2.gz MUHSWIXVIIKJQO-QWHCGFSZSA-N 0 3 336.344 1.186 20 5 EDBDHN CC(C)(O)C[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000871978320 596773838 /nfs/dbraw/zinc/77/38/38/596773838.db2.gz XSRLEZOTGPAPKE-CQSZACIVSA-N 0 3 338.404 1.960 20 5 EDBDHN CN1CCN(C2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)CC1 ZINC000866212494 596829792 /nfs/dbraw/zinc/82/97/92/596829792.db2.gz GLSWDIOSCDGLHR-UHFFFAOYSA-N 0 3 339.827 1.859 20 5 EDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(N2CCN(C)CC2)CC1 ZINC000866213747 596830061 /nfs/dbraw/zinc/83/00/61/596830061.db2.gz XKQGVAMJCSLDJC-UHFFFAOYSA-N 0 3 336.440 1.336 20 5 EDBDHN CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000872781271 597064844 /nfs/dbraw/zinc/06/48/44/597064844.db2.gz QYBBECFDAXGOPQ-CHWSQXEVSA-N 0 3 334.376 1.839 20 5 EDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000874847499 597198493 /nfs/dbraw/zinc/19/84/93/597198493.db2.gz PEAHWWZTFQHEAM-OLZOCXBDSA-N 0 3 347.371 1.675 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(CCN(C)C)C(=O)C1 ZINC000877609525 597541270 /nfs/dbraw/zinc/54/12/70/597541270.db2.gz BNPSKTWDIMEQHH-UHFFFAOYSA-N 0 3 334.420 1.417 20 5 EDBDHN C=C/C=C\CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000878722049 597690473 /nfs/dbraw/zinc/69/04/73/597690473.db2.gz OQUXQLWAUCKFQT-PLNGDYQASA-N 0 3 339.417 1.937 20 5 EDBDHN O=[N+]([O-])c1cccc(OCCN2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC000880589118 597973675 /nfs/dbraw/zinc/97/36/75/597973675.db2.gz KSRVUVJSPHWZGB-OAHLLOKOSA-N 0 3 336.388 1.837 20 5 EDBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCCN1CCCCC1 ZINC000915278120 695778737 /nfs/dbraw/zinc/77/87/37/695778737.db2.gz LVYDYSMYLBFACD-UHFFFAOYSA-N 0 3 332.360 1.974 20 5 EDBDHN CC(C)c1ccc(CNC[C@@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000922538928 703948134 /nfs/dbraw/zinc/94/81/34/703948134.db2.gz JCYLWROITQWNLX-QGZVFWFLSA-N 0 3 337.420 1.501 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000997803900 704715728 /nfs/dbraw/zinc/71/57/28/704715728.db2.gz ODXSNLUIQLVHTO-UHFFFAOYSA-N 0 3 346.391 1.298 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)c2ccon2)CC1 ZINC001034601040 710280397 /nfs/dbraw/zinc/28/03/97/710280397.db2.gz IZJDWBUKHKZJPK-XYPYZODXSA-N 0 3 348.363 1.147 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000332054717 282139268 /nfs/dbraw/zinc/13/92/68/282139268.db2.gz YWMJQGIKUFQSIA-NSHDSACASA-N 0 3 332.360 1.479 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000175111568 231386959 /nfs/dbraw/zinc/38/69/59/231386959.db2.gz PWYQTRCYOPAZCV-CYBMUJFWSA-N 0 3 341.433 1.926 20 5 EDBDHN COC(=O)c1cc(C(=O)N(C)CC2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000103453518 219301738 /nfs/dbraw/zinc/30/17/38/219301738.db2.gz BUHDDYNDWPNMTF-UHFFFAOYSA-N 0 3 349.387 1.795 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@](C)(O)C1 ZINC000124446133 138326623 /nfs/dbraw/zinc/32/66/23/138326623.db2.gz DGFGYSPSYWZPAR-INIZCTEOSA-N 0 3 337.376 1.779 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccncc2)cc1 ZINC000564321884 306358302 /nfs/dbraw/zinc/35/83/02/306358302.db2.gz WNOMJHUMBVUCSS-UHFFFAOYSA-N 0 3 335.385 1.596 20 5 EDBDHN CCOc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000564845249 306366786 /nfs/dbraw/zinc/36/67/86/306366786.db2.gz VLZDBQDMINHYGD-CYBMUJFWSA-N 0 3 338.339 1.480 20 5 EDBDHN C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000110347513 220030841 /nfs/dbraw/zinc/03/08/41/220030841.db2.gz BUCHXOLDIRKUDD-AWEZNQCLSA-N 0 3 345.403 1.818 20 5 EDBDHN N[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000261737325 139221920 /nfs/dbraw/zinc/22/19/20/139221920.db2.gz KGYCGDDXDHDSDX-INIZCTEOSA-N 0 3 335.404 1.788 20 5 EDBDHN Cc1cccc(C(=O)Nc2ccc(N3CCNCC3)cn2)c1[N+](=O)[O-] ZINC000262167573 139256658 /nfs/dbraw/zinc/25/66/58/139256658.db2.gz HKKWTPOVHSRUKE-UHFFFAOYSA-N 0 3 341.371 1.960 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000262444846 139279504 /nfs/dbraw/zinc/27/95/04/139279504.db2.gz HFUKFCIGGBZKQS-NXEZZACHSA-N 0 3 329.378 1.022 20 5 EDBDHN COC(=O)c1cc(NC(=O)c2n[nH]c3c2CNCC3)cc([N+](=O)[O-])c1 ZINC000262747808 139300851 /nfs/dbraw/zinc/30/08/51/139300851.db2.gz AXPJTYVGDMNPAB-UHFFFAOYSA-N 0 3 345.315 1.003 20 5 EDBDHN C[C@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262793727 139304016 /nfs/dbraw/zinc/30/40/16/139304016.db2.gz SKVXSWPCRASILS-KWQFWETISA-N 0 3 333.797 1.525 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000112917213 220420847 /nfs/dbraw/zinc/42/08/47/220420847.db2.gz WFOUYCIGNGJZGR-AWEZNQCLSA-N 0 3 349.435 1.149 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN(C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245990247 285189178 /nfs/dbraw/zinc/18/91/78/285189178.db2.gz WTGUKESJWIFHEI-GXTWGEPZSA-N 0 3 326.422 1.778 20 5 EDBDHN Cc1nn(CCC(=O)NCCN2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000263665508 139351075 /nfs/dbraw/zinc/35/10/75/139351075.db2.gz KVHXTNKLENRPSJ-UHFFFAOYSA-N 0 3 337.424 1.646 20 5 EDBDHN Cc1nn(CCC(=O)NCCN2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000264019960 139375904 /nfs/dbraw/zinc/37/59/04/139375904.db2.gz XSMFUAFCJURNOX-GFCCVEGCSA-N 0 3 337.424 1.789 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118097549 221116434 /nfs/dbraw/zinc/11/64/34/221116434.db2.gz XUAGFILWHGOKGS-CYBMUJFWSA-N 0 3 334.376 1.442 20 5 EDBDHN COCCN(CCN(C)C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000264148229 139383075 /nfs/dbraw/zinc/38/30/75/139383075.db2.gz HAPMWSPFOYLUJR-UHFFFAOYSA-N 0 3 341.433 1.724 20 5 EDBDHN Cn1ccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000270628916 140137658 /nfs/dbraw/zinc/13/76/58/140137658.db2.gz LTHIYMLOUCKTQK-UHFFFAOYSA-N 0 3 338.389 1.001 20 5 EDBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270768479 140165427 /nfs/dbraw/zinc/16/54/27/140165427.db2.gz HCZUFRZLVZOHIU-UHFFFAOYSA-N 0 3 331.376 1.532 20 5 EDBDHN C[C@H](NC[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000271684721 140333543 /nfs/dbraw/zinc/33/35/43/140333543.db2.gz DGAAFTQOLWOVSG-QWHCGFSZSA-N 0 3 341.433 1.917 20 5 EDBDHN O=C(N1CCCC1)[C@@]1(O)CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000331655441 141062981 /nfs/dbraw/zinc/06/29/81/141062981.db2.gz LONAMLXIJZKVFR-GOSISDBHSA-N 0 3 347.415 1.587 20 5 EDBDHN C[C@@H]1[C@@H](N(C)CCO)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347075208 143279573 /nfs/dbraw/zinc/27/95/73/143279573.db2.gz AGFFSFFHDDYZHZ-YGRLFVJLSA-N 0 3 325.340 1.261 20 5 EDBDHN CSC1(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CCN(C)CC1 ZINC000355449379 150271982 /nfs/dbraw/zinc/27/19/82/150271982.db2.gz WSBAAWSPPBEHCN-UHFFFAOYSA-N 0 3 338.433 1.855 20 5 EDBDHN COCCN1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358430673 151371963 /nfs/dbraw/zinc/37/19/63/151371963.db2.gz ZYMISPKPPSOTHX-LBPRGKRZSA-N 0 3 325.340 1.113 20 5 EDBDHN N=C(NO)[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000364406893 153228765 /nfs/dbraw/zinc/22/87/65/153228765.db2.gz CEFWDFXXGNNHTA-WCQYABFASA-N 0 3 338.364 1.145 20 5 EDBDHN C[C@@H](CO)N1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000364588108 153279479 /nfs/dbraw/zinc/27/94/79/153279479.db2.gz HHOGSRSQPFCVJV-LBPRGKRZSA-N 0 3 338.364 1.392 20 5 EDBDHN COC(=O)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000374074492 157131377 /nfs/dbraw/zinc/13/13/77/157131377.db2.gz KXKNCAZKTNSLIG-LSDHHAIUSA-N 0 3 344.371 1.680 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377481191 157937781 /nfs/dbraw/zinc/93/77/81/157937781.db2.gz HJXULWSRHOUQAI-NEPJUHHUSA-N 0 3 339.779 1.841 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000159979826 225313993 /nfs/dbraw/zinc/31/39/93/225313993.db2.gz OGSDCWDBKBJLKK-LBPRGKRZSA-N 0 3 341.795 1.825 20 5 EDBDHN CS[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000273862111 273058139 /nfs/dbraw/zinc/05/81/39/273058139.db2.gz ONTDUQBXMNLZAX-NEPJUHHUSA-N 0 3 325.394 1.499 20 5 EDBDHN CC(=O)N1CCN(CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278178650 273252369 /nfs/dbraw/zinc/25/23/69/273252369.db2.gz DGKWMGZEMQZHKP-SFHVURJKSA-N 0 3 346.431 1.726 20 5 EDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000363918890 273532612 /nfs/dbraw/zinc/53/26/12/273532612.db2.gz IJCPYJBTLQTQDC-ZDUSSCGKSA-N 0 3 336.392 1.428 20 5 EDBDHN COC(=O)N1CCC([C@H](C)NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000496002796 277333861 /nfs/dbraw/zinc/33/38/61/277333861.db2.gz CJHZCFNUPAGTFE-JTQLQIEISA-N 0 3 325.369 1.285 20 5 EDBDHN C[C@@H]1CNCCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420177935 277933168 /nfs/dbraw/zinc/93/31/68/277933168.db2.gz SQYJHPFYILLWDI-LLVKDONJSA-N 0 3 329.360 1.357 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)[C@@H](C)OC ZINC000191719113 277939900 /nfs/dbraw/zinc/93/99/00/277939900.db2.gz HHKGCJQFKMNSQG-GARJFASQSA-N 0 3 325.365 1.943 20 5 EDBDHN C[C@H](NC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451102163 278263364 /nfs/dbraw/zinc/26/33/64/278263364.db2.gz BJYJORNDDDINBP-LOUJCGABSA-N 0 3 337.420 1.716 20 5 EDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2cnn(C)c2)[C@H](C(N)=O)C1 ZINC000346921073 278313291 /nfs/dbraw/zinc/31/32/91/278313291.db2.gz JZFRTVSWBSNDQD-BYCMXARLSA-N 0 3 343.387 1.590 20 5 EDBDHN C[C@@H]1CCNC[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420436191 278567187 /nfs/dbraw/zinc/56/71/87/278567187.db2.gz NZYVGVKILRKLJH-BXUZGUMPSA-N 0 3 327.406 1.055 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)C)cc1OC ZINC000287349319 288216382 /nfs/dbraw/zinc/21/63/82/288216382.db2.gz ZOOKBMODJSTKHC-JTQLQIEISA-N 0 3 325.365 1.682 20 5 EDBDHN O=[N+]([O-])c1c(N[C@@H](CO)CN2CCCCC2)nc2sccn21 ZINC000289089256 288627479 /nfs/dbraw/zinc/62/74/79/288627479.db2.gz JONOCHUOFSQGHD-SNVBAGLBSA-N 0 3 325.394 1.563 20 5 EDBDHN O=C(CN[C@H](CO)C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289423814 288697479 /nfs/dbraw/zinc/69/74/79/288697479.db2.gz CJGPBOKPABRPOU-OAHLLOKOSA-N 0 3 333.388 1.625 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@@H](C[NH3+])C2)c1C ZINC000420462660 304760896 /nfs/dbraw/zinc/76/08/96/304760896.db2.gz VWGRWDBTLBYRTN-NEPJUHHUSA-N 0 3 327.406 1.617 20 5 EDBDHN Cc1ccnc(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000374256270 302272565 /nfs/dbraw/zinc/27/25/65/302272565.db2.gz NGAPTYDEVLYVBK-AWEZNQCLSA-N 0 3 333.436 1.903 20 5 EDBDHN Cc1nn(C)c(C(=O)N2CCC[C@@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000171041700 302734391 /nfs/dbraw/zinc/73/43/91/302734391.db2.gz MKXAJDYBCJMXMP-CYBMUJFWSA-N 0 3 335.408 1.727 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428547044 305011436 /nfs/dbraw/zinc/01/14/36/305011436.db2.gz LJULKOLBOVTGCD-ZDUSSCGKSA-N 0 3 345.359 1.147 20 5 EDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CC(F)F ZINC000429465909 305030381 /nfs/dbraw/zinc/03/03/81/305030381.db2.gz YFMNTUSIRUFXNA-KOLCDFICSA-N 0 3 331.319 1.918 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCOCCN(C)C ZINC000444901804 305254628 /nfs/dbraw/zinc/25/46/28/305254628.db2.gz LJVJYQPTTLBJOL-UHFFFAOYSA-N 0 3 326.353 1.303 20 5 EDBDHN O=C(CCN[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000517372150 305752043 /nfs/dbraw/zinc/75/20/43/305752043.db2.gz VVTCEEAKOZFJSB-XNRPHZJLSA-N 0 3 345.359 1.084 20 5 EDBDHN COC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000544413873 306075010 /nfs/dbraw/zinc/07/50/10/306075010.db2.gz NBTFGILDHGTYME-LLVKDONJSA-N 0 3 339.348 1.523 20 5 EDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000554013346 306188671 /nfs/dbraw/zinc/18/86/71/306188671.db2.gz UCKBQKXADZAJNT-ZFWWWQNUSA-N 0 3 340.401 1.421 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]1CCO ZINC000426237269 447403949 /nfs/dbraw/zinc/40/39/49/447403949.db2.gz LCHNVYNUTSWVRW-GFCCVEGCSA-N 0 3 335.360 1.740 20 5 EDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCN(C)CC1 ZINC000061211612 441267710 /nfs/dbraw/zinc/26/77/10/441267710.db2.gz SLMMDRJSEVLQBK-UHFFFAOYSA-N 0 3 349.435 1.028 20 5 EDBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000024802306 441321252 /nfs/dbraw/zinc/32/12/52/441321252.db2.gz JDAGQRXKFJDQQV-GFCCVEGCSA-N 0 3 349.387 1.970 20 5 EDBDHN Cc1n[nH]c(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000085456759 441442243 /nfs/dbraw/zinc/44/22/43/441442243.db2.gz FDTFPEDAVQCMCB-GHMZBOCLSA-N 0 3 339.396 1.246 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000110018393 441512228 /nfs/dbraw/zinc/51/22/28/441512228.db2.gz MYEONPXXVNJRBE-CMDGGOBGSA-N 0 3 346.431 1.704 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000112917709 441567226 /nfs/dbraw/zinc/56/72/26/441567226.db2.gz CUNPUZJEZAQMKW-CQSZACIVSA-N 0 3 334.420 1.659 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000112922856 441569489 /nfs/dbraw/zinc/56/94/89/441569489.db2.gz PLFVATAZXXFRDH-CQSZACIVSA-N 0 3 348.447 1.907 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000076989292 441704957 /nfs/dbraw/zinc/70/49/57/441704957.db2.gz MYWNDBUQMSUWJZ-LLVKDONJSA-N 0 3 340.355 1.157 20 5 EDBDHN CCc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N(C)C)cc1 ZINC000158956944 441776997 /nfs/dbraw/zinc/77/69/97/441776997.db2.gz SSYKQJAJNZYUCF-ZDUSSCGKSA-N 0 3 331.376 1.913 20 5 EDBDHN CCc1ccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N(C)C)cc1 ZINC000158956944 441777004 /nfs/dbraw/zinc/77/70/04/441777004.db2.gz SSYKQJAJNZYUCF-ZDUSSCGKSA-N 0 3 331.376 1.913 20 5 EDBDHN COCCN1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000141359177 441850388 /nfs/dbraw/zinc/85/03/88/441850388.db2.gz VWEMQJDPWGZYQT-UHFFFAOYSA-N 0 3 346.387 1.917 20 5 EDBDHN CCc1ccc(C(=O)NC[C@@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000174191825 441900936 /nfs/dbraw/zinc/90/09/36/441900936.db2.gz HADWTLIABIIOKK-HNNXBMFYSA-N 0 3 335.404 1.998 20 5 EDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN(C2CCCC2)CC1 ZINC000161545022 442010572 /nfs/dbraw/zinc/01/05/72/442010572.db2.gz BOEPRGUBSNDRPB-UHFFFAOYSA-N 0 3 336.396 1.061 20 5 EDBDHN CNC(=O)C(C)(C)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000120208950 442029397 /nfs/dbraw/zinc/02/93/97/442029397.db2.gz KLIGXEXTMRLOGD-UHFFFAOYSA-N 0 3 345.403 1.857 20 5 EDBDHN CCN1CCC(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000151518588 442077480 /nfs/dbraw/zinc/07/74/80/442077480.db2.gz KFZGDOZOXKTEFP-UHFFFAOYSA-N 0 3 341.433 1.841 20 5 EDBDHN CCN(CC)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000126765851 442141507 /nfs/dbraw/zinc/14/15/07/442141507.db2.gz VUBUWWDGRNYDBG-HNNXBMFYSA-N 0 3 345.403 1.991 20 5 EDBDHN Cc1nn(CCC(=O)N2CCCN(C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000170683320 442248152 /nfs/dbraw/zinc/24/81/52/442248152.db2.gz UTXLXOIEJDVDQH-UHFFFAOYSA-N 0 3 335.408 1.495 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CCN(C)c3ccncc32)cc1[N+](=O)[O-] ZINC000176978382 442280008 /nfs/dbraw/zinc/28/00/08/442280008.db2.gz RKLAURMQADDJPJ-UHFFFAOYSA-N 0 3 348.384 1.943 20 5 EDBDHN CCCCN(C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153757672 442300534 /nfs/dbraw/zinc/30/05/34/442300534.db2.gz GMAQGXZZQATOHO-UHFFFAOYSA-N 0 3 329.422 1.746 20 5 EDBDHN COCCCN1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000171126746 442316798 /nfs/dbraw/zinc/31/67/98/442316798.db2.gz YVWDOCGNTVSIOK-UHFFFAOYSA-N 0 3 336.392 1.408 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000133591407 442425435 /nfs/dbraw/zinc/42/54/35/442425435.db2.gz GCUNWXJZUSOPEO-AAEUAGOBSA-N 0 3 346.387 1.066 20 5 EDBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000178951945 442536722 /nfs/dbraw/zinc/53/67/22/442536722.db2.gz FJEXXOVFBZFQFE-OAHLLOKOSA-N 0 3 341.433 1.493 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000173245921 442632975 /nfs/dbraw/zinc/63/29/75/442632975.db2.gz YQANAFIAMMEKBO-JSGCOSHPSA-N 0 3 341.433 1.864 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(CC2CC2)CC1 ZINC000182216809 442746307 /nfs/dbraw/zinc/74/63/07/442746307.db2.gz YPHIUGGHKLWUGS-HNNXBMFYSA-N 0 3 335.404 1.362 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CN1C1CC1 ZINC000182350347 442759310 /nfs/dbraw/zinc/75/93/10/442759310.db2.gz TUPMCOGPHBCBIM-ONGXEEELSA-N 0 3 333.344 1.679 20 5 EDBDHN C[C@@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(C)C1CC1 ZINC000183010067 442864146 /nfs/dbraw/zinc/86/41/46/442864146.db2.gz VCKYWOHIARJGEE-MEDUHNTESA-N 0 3 346.387 1.687 20 5 EDBDHN COC(=O)[C@@]1(C)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000268340104 442954559 /nfs/dbraw/zinc/95/45/59/442954559.db2.gz KWCNKYGJBUXNKU-BBRMVZONSA-N 0 3 338.360 1.220 20 5 EDBDHN Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000295927004 318652468 /nfs/dbraw/zinc/65/24/68/318652468.db2.gz FQDZZUDFTDHJNR-VIFPVBQESA-N 0 3 326.328 1.047 20 5 EDBDHN C[C@@H]1C[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000296238047 318678401 /nfs/dbraw/zinc/67/84/01/318678401.db2.gz CNRLPFVSPIXJHW-UHIISALHSA-N 0 3 343.405 1.029 20 5 EDBDHN CCC[C@H](NC[C@]1(O)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000296596311 318710629 /nfs/dbraw/zinc/71/06/29/318710629.db2.gz VHDQTLLHJNBWOM-LSDHHAIUSA-N 0 3 342.417 1.575 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1NCc1ccccc1CN1CCC(O)CC1 ZINC000266258855 443076896 /nfs/dbraw/zinc/07/68/96/443076896.db2.gz OPFLBIRBUVVQRQ-UHFFFAOYSA-N 0 3 345.403 1.897 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000266389555 443113649 /nfs/dbraw/zinc/11/36/49/443113649.db2.gz CAWHEECVCLLLDN-INIZCTEOSA-N 0 3 334.351 1.956 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000411586193 319186403 /nfs/dbraw/zinc/18/64/03/319186403.db2.gz NNPFQGXAJRZGRK-DOMZBBRYSA-N 0 3 346.387 1.313 20 5 EDBDHN COc1cc(CN[C@H](CO)[C@@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000411986336 319218723 /nfs/dbraw/zinc/21/87/23/319218723.db2.gz KJZNQJGCINBIRK-ZWNOBZJWSA-N 0 3 328.340 1.620 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000415822595 319374354 /nfs/dbraw/zinc/37/43/54/319374354.db2.gz MNXYOSBITPDTNP-OAHLLOKOSA-N 0 3 348.403 1.729 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272487789 443336056 /nfs/dbraw/zinc/33/60/56/443336056.db2.gz SSRCOBDCVGQYDV-GDBMZVCRSA-N 0 3 332.404 1.873 20 5 EDBDHN CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCNC1=O ZINC000282485512 443353278 /nfs/dbraw/zinc/35/32/78/443353278.db2.gz VPXYZWYUYFKEAS-AWEZNQCLSA-N 0 3 334.376 1.442 20 5 EDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)C(F)(F)F ZINC000616363009 450401960 /nfs/dbraw/zinc/40/19/60/450401960.db2.gz UTQSBMGYNDDJCE-LDYMZIIASA-N 0 3 335.282 1.825 20 5 EDBDHN C[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272741675 443428480 /nfs/dbraw/zinc/42/84/80/443428480.db2.gz CVVURTIWHVEYNE-VIFPVBQESA-N 0 3 347.400 1.980 20 5 EDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)C(F)(F)F ZINC000616363008 450402057 /nfs/dbraw/zinc/40/20/57/450402057.db2.gz UTQSBMGYNDDJCE-GZMMTYOYSA-N 0 3 335.282 1.825 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286184024 443664198 /nfs/dbraw/zinc/66/41/98/443664198.db2.gz VBWTZMCHIGZOFM-SMDDNHRTSA-N 0 3 329.360 1.568 20 5 EDBDHN CC[C@H](CNS(C)(=O)=O)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000449443818 320191508 /nfs/dbraw/zinc/19/15/08/320191508.db2.gz WBADPXYHMDMQHW-CEFACKQISA-N 0 3 341.433 1.916 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454113645 320285426 /nfs/dbraw/zinc/28/54/26/320285426.db2.gz WGXIJRCCIACCDJ-CYBMUJFWSA-N 0 3 348.403 1.783 20 5 EDBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000286249618 443676624 /nfs/dbraw/zinc/67/66/24/443676624.db2.gz ZLOKVGZTLXLDGF-OAHLLOKOSA-N 0 3 343.387 1.958 20 5 EDBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286366631 443699589 /nfs/dbraw/zinc/69/95/89/443699589.db2.gz GBOLKAGIPUFEJC-UNPMEBSKSA-N 0 3 331.372 1.549 20 5 EDBDHN CN1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000290957863 443720787 /nfs/dbraw/zinc/72/07/87/443720787.db2.gz NZSKPYGBSLUETJ-UONOGXRCSA-N 0 3 341.371 1.946 20 5 EDBDHN Cc1c(NC(=O)CCN2CCNC[C@@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000563149509 321099497 /nfs/dbraw/zinc/09/94/97/321099497.db2.gz JDUQVJJWXNCZSZ-CYBMUJFWSA-N 0 3 342.346 1.771 20 5 EDBDHN COCC[C@]1(NCCOc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000569067987 321316900 /nfs/dbraw/zinc/31/69/00/321316900.db2.gz SATVWVJRYDBMRD-INIZCTEOSA-N 0 3 340.376 1.767 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000299695255 444118421 /nfs/dbraw/zinc/11/84/21/444118421.db2.gz OGOGJRLREJGXSY-UHFFFAOYSA-N 0 3 348.403 1.703 20 5 EDBDHN CN1CCC[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)C1 ZINC000294260102 444107756 /nfs/dbraw/zinc/10/77/56/444107756.db2.gz TTXJXTPASDHTFW-INIZCTEOSA-N 0 3 336.367 1.874 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CN(C)C(C)C ZINC000289490349 444157503 /nfs/dbraw/zinc/15/75/03/444157503.db2.gz IZOAFGWSBNHFPU-GFCCVEGCSA-N 0 3 329.422 1.910 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000299708712 444121772 /nfs/dbraw/zinc/12/17/72/444121772.db2.gz PYRXPUSWYRZCBZ-TZMCWYRMSA-N 0 3 348.403 1.783 20 5 EDBDHN Cc1nn(C)c(C(=O)N[C@@H](CC(C)C)CN2CCCC2)c1[N+](=O)[O-] ZINC000295350597 444179253 /nfs/dbraw/zinc/17/92/53/444179253.db2.gz FCQBDTFBJJJSBI-ZDUSSCGKSA-N 0 3 337.424 1.877 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc3c(n2)CCCC3)c1 ZINC000575916954 321534127 /nfs/dbraw/zinc/53/41/27/321534127.db2.gz CNBPLKWSNICICV-HNNXBMFYSA-N 0 3 331.376 1.216 20 5 EDBDHN C[C@@H]1C[C@@H]1N1C[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000577741612 321678585 /nfs/dbraw/zinc/67/85/85/321678585.db2.gz RXBDEJFFOFQYOP-XUJVJEKNSA-N 0 3 346.387 1.522 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580217582 322025745 /nfs/dbraw/zinc/02/57/45/322025745.db2.gz QBNRIHZWXILSEW-SWLSCSKDSA-N 0 3 343.387 1.958 20 5 EDBDHN C[C@@H](O)C[C@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580564270 322068097 /nfs/dbraw/zinc/06/80/97/322068097.db2.gz QMFWKWADSSVNIV-NWDGAFQWSA-N 0 3 330.406 1.365 20 5 EDBDHN CCN1C[C@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000343694039 444524996 /nfs/dbraw/zinc/52/49/96/444524996.db2.gz CBQRSAXBTYJRON-QLFBSQMISA-N 0 3 337.420 1.749 20 5 EDBDHN Cn1cc([C@@H](NCCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)cn1 ZINC000342329990 444634478 /nfs/dbraw/zinc/63/44/78/444634478.db2.gz WLZQDRFZFHQNJG-OAHLLOKOSA-N 0 3 333.392 1.867 20 5 EDBDHN Cn1cc(CNC[C@H]2COCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338716198 444818684 /nfs/dbraw/zinc/81/86/84/444818684.db2.gz NNRKDRRVGFPCSY-HNNXBMFYSA-N 0 3 332.360 1.500 20 5 EDBDHN C[C@H](Cn1cccn1)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344447550 444978330 /nfs/dbraw/zinc/97/83/30/444978330.db2.gz LLYNWCDIYSJZLY-IUODEOHRSA-N 0 3 329.360 1.575 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000342032560 445135152 /nfs/dbraw/zinc/13/51/52/445135152.db2.gz MPMPQPTVIKWSAG-SUMWQHHRSA-N 0 3 346.387 1.489 20 5 EDBDHN C[C@@H]1OCC[C@@H]1N(CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337456273 445089085 /nfs/dbraw/zinc/08/90/85/445089085.db2.gz HYSFAUSPBRFKSX-JSGCOSHPSA-N 0 3 337.376 1.395 20 5 EDBDHN C[C@H]1[C@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCCN1C ZINC000343561597 445244501 /nfs/dbraw/zinc/24/45/01/445244501.db2.gz QHIJLJZDTIKIFY-CMPLNLGQSA-N 0 3 348.359 1.102 20 5 EDBDHN CC(=O)N1CCC(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000354623589 445319098 /nfs/dbraw/zinc/31/90/98/445319098.db2.gz QECCGTFERCTVLR-NSHDSACASA-N 0 3 334.376 1.522 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c1 ZINC000351902346 445364574 /nfs/dbraw/zinc/36/45/74/445364574.db2.gz IOWIHUXADLFYJC-RISCZKNCSA-N 0 3 341.433 1.782 20 5 EDBDHN CN(C)[C@@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000362598050 445456629 /nfs/dbraw/zinc/45/66/29/445456629.db2.gz GBEPYOBSBUPYMV-CYBMUJFWSA-N 0 3 349.387 1.461 20 5 EDBDHN Cc1c(CC(=O)N2CC[C@@H](N(C)CCO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356089197 445613380 /nfs/dbraw/zinc/61/33/80/445613380.db2.gz UGJPYSLMXOFVTG-XJKSGUPXSA-N 0 3 335.404 1.359 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000349674203 445643479 /nfs/dbraw/zinc/64/34/79/445643479.db2.gz YEULZSLFXVCQFP-OAHLLOKOSA-N 0 3 348.403 1.982 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@]3(C2)CCCN(C)C3)c(C)c1[N+](=O)[O-] ZINC000356209609 445677532 /nfs/dbraw/zinc/67/75/32/445677532.db2.gz DDTIKKFHRODRST-QGZVFWFLSA-N 0 3 349.435 1.743 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000363105222 445680054 /nfs/dbraw/zinc/68/00/54/445680054.db2.gz ULSHIOZNUBBIKR-NWDGAFQWSA-N 0 3 345.359 1.064 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363154567 445699570 /nfs/dbraw/zinc/69/95/70/445699570.db2.gz SWHBRGMNXFLMQO-OLZOCXBDSA-N 0 3 335.360 1.196 20 5 EDBDHN COC(=O)COc1ccc(CNCC(C)(C)OC)cc1[N+](=O)[O-] ZINC000353767278 445745431 /nfs/dbraw/zinc/74/54/31/445745431.db2.gz LSTNNLNFSPYAAG-UHFFFAOYSA-N 0 3 326.349 1.661 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000353767800 445745985 /nfs/dbraw/zinc/74/59/85/445745985.db2.gz MVYKTLDMKDYWBX-ZDUSSCGKSA-N 0 3 326.349 1.253 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000363660913 445865526 /nfs/dbraw/zinc/86/55/26/445865526.db2.gz OWLDCTZVFPWBFC-INIZCTEOSA-N 0 3 346.431 1.755 20 5 EDBDHN Cc1cc(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000364381098 445916075 /nfs/dbraw/zinc/91/60/75/445916075.db2.gz IXYPNGSMEJCGIU-AWEZNQCLSA-N 0 3 333.436 1.903 20 5 EDBDHN Cc1ccn(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000365131829 446045599 /nfs/dbraw/zinc/04/55/99/446045599.db2.gz AXZCZZBSAFEXDV-UHFFFAOYSA-N 0 3 331.376 1.599 20 5 EDBDHN Cn1cc([C@H](O)C[C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000369282349 446046363 /nfs/dbraw/zinc/04/63/63/446046363.db2.gz GPTJTRQJQLDUFE-ZIAGYGMSSA-N 0 3 334.380 1.113 20 5 EDBDHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351188013 446006302 /nfs/dbraw/zinc/00/63/02/446006302.db2.gz XKGYTAKFSSXJSH-UHFFFAOYSA-N 0 3 326.328 1.129 20 5 EDBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000584006245 326183892 /nfs/dbraw/zinc/18/38/92/326183892.db2.gz FCCJKHZYNPYXDJ-UHFFFAOYSA-N 0 3 331.376 1.830 20 5 EDBDHN Cc1c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000366200414 446080593 /nfs/dbraw/zinc/08/05/93/446080593.db2.gz YWNIDZUTVRDBKG-CQSZACIVSA-N 0 3 333.388 1.886 20 5 EDBDHN CCCCN(C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351490401 446092833 /nfs/dbraw/zinc/09/28/33/446092833.db2.gz DUUARRNAVZVDPL-UHFFFAOYSA-N 0 3 340.355 1.521 20 5 EDBDHN CN1CCC[C@@]2(CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1=O ZINC000370402803 446263099 /nfs/dbraw/zinc/26/30/99/446263099.db2.gz BTIHAJUFPHEMMT-KRWDZBQOSA-N 0 3 346.387 1.138 20 5 EDBDHN Cc1c(CNC(=O)N[C@H]2CNCCC2(F)F)cccc1[N+](=O)[O-] ZINC000418084104 446436003 /nfs/dbraw/zinc/43/60/03/446436003.db2.gz UXMZERODNPPULJ-LBPRGKRZSA-N 0 3 328.319 1.700 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375041453 446535362 /nfs/dbraw/zinc/53/53/62/446535362.db2.gz QJNBUUVVAWARIF-XJKSGUPXSA-N 0 3 332.404 1.949 20 5 EDBDHN COC1([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000453125043 446546407 /nfs/dbraw/zinc/54/64/07/446546407.db2.gz SRZWQDBKSCJCKP-LBPRGKRZSA-N 0 3 337.376 1.707 20 5 EDBDHN CN1C(=O)N[C@]2(CCC[C@@H]2CNCc2csc([N+](=O)[O-])c2)C1=O ZINC000371086476 446619452 /nfs/dbraw/zinc/61/94/52/446619452.db2.gz LGBDNKSOPOICDC-YGRLFVJLSA-N 0 3 338.389 1.466 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)c1 ZINC000420460639 446639719 /nfs/dbraw/zinc/63/97/19/446639719.db2.gz LHNLXUPMTUIMAP-VIFPVBQESA-N 0 3 337.348 1.472 20 5 EDBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CCC(CN2CCOCC2)CC1 ZINC000420587610 446691921 /nfs/dbraw/zinc/69/19/21/446691921.db2.gz QBMFXRONLGRHGO-UHFFFAOYSA-N 0 3 348.403 1.242 20 5 EDBDHN CCN1CCN([C@@H](C)CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420590609 446694144 /nfs/dbraw/zinc/69/41/44/446694144.db2.gz VXTYSVUHJPXJME-LBPRGKRZSA-N 0 3 335.408 1.132 20 5 EDBDHN NC[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000423829315 446717250 /nfs/dbraw/zinc/71/72/50/446717250.db2.gz RSONPSDWURMZQC-OAHLLOKOSA-N 0 3 343.387 1.697 20 5 EDBDHN C[C@H]1C[C@H](CO)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000420948026 446920811 /nfs/dbraw/zinc/92/08/11/446920811.db2.gz ULZHOSBJUHOALF-STQMWFEESA-N 0 3 349.387 1.843 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)CC[C@@H]1C ZINC000421007435 446981333 /nfs/dbraw/zinc/98/13/33/446981333.db2.gz HLPOESVCTTUYAN-AAEUAGOBSA-N 0 3 337.376 1.777 20 5 EDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000421705169 447225065 /nfs/dbraw/zinc/22/50/65/447225065.db2.gz QRQQNIWEOGEQQV-HNNXBMFYSA-N 0 3 343.387 1.947 20 5 EDBDHN CC(C)(O)CN1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000368962606 447228362 /nfs/dbraw/zinc/22/83/62/447228362.db2.gz BGFYGVQMMIQYSH-UHFFFAOYSA-N 0 3 334.420 1.846 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CO)[C@@H]1CCCO1 ZINC000447915549 447297627 /nfs/dbraw/zinc/29/76/27/447297627.db2.gz NBCQDAHXDHCKOU-CABCVRRESA-N 0 3 337.376 1.361 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416429258 447598830 /nfs/dbraw/zinc/59/88/30/447598830.db2.gz XWJIGVVLFNSIGG-TZMCWYRMSA-N 0 3 341.433 1.782 20 5 EDBDHN CC(COC(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)[N+](=O)[O-] ZINC000496555941 447818664 /nfs/dbraw/zinc/81/86/64/447818664.db2.gz YLHPXBLQGLFGIO-RQJHMYQMSA-N 0 3 330.259 1.650 20 5 EDBDHN C[C@@H]1C[C@H]1N1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488723999 447849744 /nfs/dbraw/zinc/84/97/44/447849744.db2.gz BMPSQMWDDUYKJS-LALPHHSUSA-N 0 3 332.404 1.860 20 5 EDBDHN NC(=O)[C@H]1CCCN1CCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575815226 447905354 /nfs/dbraw/zinc/90/53/54/447905354.db2.gz DZTLRRKWCRIVQJ-GDBMZVCRSA-N 0 3 332.404 1.512 20 5 EDBDHN O=C1C[C@@H](NC2(CO)CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000570104528 447947581 /nfs/dbraw/zinc/94/75/81/447947581.db2.gz KXIVVQNVUOXZSH-CYBMUJFWSA-N 0 3 333.344 1.121 20 5 EDBDHN COc1cc(C(=O)NCCN2CC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000525291533 447988468 /nfs/dbraw/zinc/98/84/68/447988468.db2.gz IIWAYDMXHDBRHK-NSHDSACASA-N 0 3 337.376 1.684 20 5 EDBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)n(C2CCN(C)CC2)n1 ZINC000531187310 448035981 /nfs/dbraw/zinc/03/59/81/448035981.db2.gz OSANQZVGGXZETQ-UHFFFAOYSA-N 0 3 346.391 1.957 20 5 EDBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000576713409 448122682 /nfs/dbraw/zinc/12/26/82/448122682.db2.gz DTQLYECKXARNES-LBPRGKRZSA-N 0 3 349.387 1.921 20 5 EDBDHN Cc1cc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000576839547 448152731 /nfs/dbraw/zinc/15/27/31/448152731.db2.gz LRZQKZDDXTVFCY-LLVKDONJSA-N 0 3 334.376 1.300 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531821407 448153946 /nfs/dbraw/zinc/15/39/46/448153946.db2.gz KHUOTFVGOZEXPP-QMTHXVAHSA-N 0 3 347.371 1.579 20 5 EDBDHN CNc1nccc(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000561182075 448233033 /nfs/dbraw/zinc/23/30/33/448233033.db2.gz HGQHYNRSGDTVQW-XQQFMLRXSA-N 0 3 349.435 2.128 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(-n3cccn3)cc2)c1 ZINC000516275331 448406949 /nfs/dbraw/zinc/40/69/49/448406949.db2.gz KWMXVNBSABFLIX-INIZCTEOSA-N 0 3 342.359 1.128 20 5 EDBDHN CC1(C)CCCN1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000584395256 448508078 /nfs/dbraw/zinc/50/80/78/448508078.db2.gz TUCPBLJAWGMLOQ-UHFFFAOYSA-N 0 3 335.360 1.928 20 5 EDBDHN CCN1CC[C@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000573385257 448614029 /nfs/dbraw/zinc/61/40/29/448614029.db2.gz SQGYLKADNIRZGS-YPMHNXCESA-N 0 3 335.408 1.834 20 5 EDBDHN CC1(OCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CNC1 ZINC000592537860 448887690 /nfs/dbraw/zinc/88/76/90/448887690.db2.gz HSOKOWQHAUUVKE-UHFFFAOYSA-N 0 3 349.387 1.343 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000568984075 448949037 /nfs/dbraw/zinc/94/90/37/448949037.db2.gz OMKLWPAUDLNGHV-BNOWGMLFSA-N 0 3 346.330 1.473 20 5 EDBDHN Cc1nn(CCC(=O)NC[C@@H]2CCN2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000597858177 449126376 /nfs/dbraw/zinc/12/63/76/449126376.db2.gz LKPOSSHLZZNWCW-ZDUSSCGKSA-N 0 3 337.424 1.787 20 5 EDBDHN COC(=O)COc1ccc(CN2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590052458 449100490 /nfs/dbraw/zinc/10/04/90/449100490.db2.gz CEYNCZOROVQLPJ-HIFRSBDPSA-N 0 3 349.387 1.283 20 5 EDBDHN C[N@@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593605692 449103420 /nfs/dbraw/zinc/10/34/20/449103420.db2.gz JOUXDDGGJCZYDS-NSHDSACASA-N 0 3 328.394 1.000 20 5 EDBDHN C[N@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593605692 449103423 /nfs/dbraw/zinc/10/34/23/449103423.db2.gz JOUXDDGGJCZYDS-NSHDSACASA-N 0 3 328.394 1.000 20 5 EDBDHN COc1cc(OCC(=O)N2CC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590440825 449163054 /nfs/dbraw/zinc/16/30/54/449163054.db2.gz CCUCNADQXPYDIZ-SMDDNHRTSA-N 0 3 335.360 1.145 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590446453 449168011 /nfs/dbraw/zinc/16/80/11/449168011.db2.gz TZJDZZMEVKLMLZ-CZUORRHYSA-N 0 3 332.404 1.949 20 5 EDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000590399613 449147709 /nfs/dbraw/zinc/14/77/09/449147709.db2.gz KYLYWUNCRZSOAO-HUUCEWRRSA-N 0 3 337.351 1.669 20 5 EDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590587878 449203533 /nfs/dbraw/zinc/20/35/33/449203533.db2.gz BPDLSSTXXMHHHF-SMDDNHRTSA-N 0 3 327.406 1.449 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590590191 449205555 /nfs/dbraw/zinc/20/55/55/449205555.db2.gz VKGVXLSMMGBDEG-WCQYABFASA-N 0 3 327.406 1.616 20 5 EDBDHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000590752927 449273878 /nfs/dbraw/zinc/27/38/78/449273878.db2.gz VNBJXJUAGBAKES-KGLIPLIRSA-N 0 3 347.371 1.415 20 5 EDBDHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000590752867 449274242 /nfs/dbraw/zinc/27/42/42/449274242.db2.gz UPSUGMRETRJEPF-KGLIPLIRSA-N 0 3 347.371 1.415 20 5 EDBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000590753042 449274251 /nfs/dbraw/zinc/27/42/51/449274251.db2.gz ZGHLKTXSUVBPMI-GDLCADMTSA-N 0 3 335.360 1.853 20 5 EDBDHN Cc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1[N+](=O)[O-] ZINC000595943818 449270205 /nfs/dbraw/zinc/27/02/05/449270205.db2.gz RZQSHCXFXKWXHY-GFCCVEGCSA-N 0 3 331.332 1.540 20 5 EDBDHN Cc1[n-]nc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1[N+](=O)[O-] ZINC000595943818 449270211 /nfs/dbraw/zinc/27/02/11/449270211.db2.gz RZQSHCXFXKWXHY-GFCCVEGCSA-N 0 3 331.332 1.540 20 5 EDBDHN CN1CCN(CCCCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596075544 449350984 /nfs/dbraw/zinc/35/09/84/449350984.db2.gz GUZSKQMZJGDMEL-UHFFFAOYSA-N 0 3 327.816 1.505 20 5 EDBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCOC2(CNC2)C1 ZINC000596097813 449360944 /nfs/dbraw/zinc/36/09/44/449360944.db2.gz LYIOPTUGALZPGD-UHFFFAOYSA-N 0 3 333.369 1.624 20 5 EDBDHN O=C([C@H]1CN2CCC[C@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602124360 449364173 /nfs/dbraw/zinc/36/41/73/449364173.db2.gz NGNCUKLECSBLHB-DLBZAZTESA-N 0 3 345.399 1.949 20 5 EDBDHN C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[C@@H]1N1CCN(C)CC1 ZINC000596181117 449400856 /nfs/dbraw/zinc/40/08/56/449400856.db2.gz WVUQHKASCZUTFS-OCCSQVGLSA-N 0 3 334.424 1.034 20 5 EDBDHN C[NH+](C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594474103 449539538 /nfs/dbraw/zinc/53/95/38/449539538.db2.gz GXUVMXAWDNPHJH-JGZJWPJOSA-N 0 3 347.824 1.867 20 5 EDBDHN O=[N+]([O-])c1ccc(CCO)c(-c2ccc(N3CCNCC3)nc2)c1 ZINC000600793147 449547951 /nfs/dbraw/zinc/54/79/51/449547951.db2.gz LOLPYKRUTREDGE-UHFFFAOYSA-N 0 3 328.372 1.601 20 5 EDBDHN COCc1csc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000594731073 449654343 /nfs/dbraw/zinc/65/43/43/449654343.db2.gz FBBLJNYWPBSBDH-LBPRGKRZSA-N 0 3 326.378 1.150 20 5 EDBDHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC000598894012 449632992 /nfs/dbraw/zinc/63/29/92/449632992.db2.gz HHUYBDCTZAQDQQ-UHFFFAOYSA-N 0 3 349.391 1.318 20 5 EDBDHN CCN1CCN([C@@H](C)CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602513288 449642452 /nfs/dbraw/zinc/64/24/52/449642452.db2.gz BOSJAWBVXJNWSB-ZDUSSCGKSA-N 0 3 347.419 1.852 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H](C)[NH+](C)C)c1C ZINC000594817959 449726171 /nfs/dbraw/zinc/72/61/71/449726171.db2.gz WPXFXUGTBVIEFD-LLVKDONJSA-N 0 3 329.422 1.830 20 5 EDBDHN CCOC(=O)c1ccnc(N2C[C@@H]3CCN(C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000601184376 449739230 /nfs/dbraw/zinc/73/92/30/449739230.db2.gz LRCNSQZNCGRXNI-NWDGAFQWSA-N 0 3 334.376 1.554 20 5 EDBDHN CC[C@@H](CN1CCCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000612678932 449830156 /nfs/dbraw/zinc/83/01/56/449830156.db2.gz HQOHZKPEWSGEHC-AWEZNQCLSA-N 0 3 341.433 1.889 20 5 EDBDHN Cc1sc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000601420701 449937552 /nfs/dbraw/zinc/93/75/52/449937552.db2.gz FKUHXQPGXOMLEI-WCBMZHEXSA-N 0 3 333.435 1.678 20 5 EDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609383040 450021125 /nfs/dbraw/zinc/02/11/25/450021125.db2.gz IKPWQSUDAHJCFV-NSHDSACASA-N 0 3 333.344 1.538 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599475751 450004424 /nfs/dbraw/zinc/00/44/24/450004424.db2.gz DIMUSHVCULJPPS-LBPRGKRZSA-N 0 3 347.350 1.744 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[C@H]1N(C)C ZINC000615293317 450051221 /nfs/dbraw/zinc/05/12/21/450051221.db2.gz AFGMOUSNSXBYKS-VXGBXAGGSA-N 0 3 343.405 1.364 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599627294 450113901 /nfs/dbraw/zinc/11/39/01/450113901.db2.gz WVRNLLYLGKGQRJ-INLINHOESA-N 0 3 337.376 1.943 20 5 EDBDHN CN(C)C[C@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597653568 450173213 /nfs/dbraw/zinc/17/32/13/450173213.db2.gz LSYQNXBCPOFOIT-SECBINFHSA-N 0 3 335.282 1.266 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCC[C@@H]21 ZINC000599654062 450131612 /nfs/dbraw/zinc/13/16/12/450131612.db2.gz LEPPHBDHYFIQNV-KFWWJZLASA-N 0 3 349.387 1.420 20 5 EDBDHN CNc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000597697749 450205656 /nfs/dbraw/zinc/20/56/56/450205656.db2.gz ZWFVNOGGFDYVSM-GDBMZVCRSA-N 0 3 348.403 1.572 20 5 EDBDHN CCN1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000595536152 450215167 /nfs/dbraw/zinc/21/51/67/450215167.db2.gz NITKQBSGKOHRPX-AWEZNQCLSA-N 0 3 334.420 1.974 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCO[C@H](c3ccccc3)C2)c1 ZINC000610336432 450195505 /nfs/dbraw/zinc/19/55/05/450195505.db2.gz AAOHJRGUOZKLIG-SJORKVTESA-N 0 3 346.387 1.616 20 5 EDBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000619787976 450334534 /nfs/dbraw/zinc/33/45/34/450334534.db2.gz PWTHFMCLVNQCEU-CYBMUJFWSA-N 0 3 329.360 1.664 20 5 EDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000619567038 450507475 /nfs/dbraw/zinc/50/74/75/450507475.db2.gz ITWCKZZKAVYNPV-CQSZACIVSA-N 0 3 349.387 1.938 20 5 EDBDHN Cc1c(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000184384944 533801705 /nfs/dbraw/zinc/80/17/05/533801705.db2.gz VWZABLFDXMOBDQ-ZDUSSCGKSA-N 0 3 334.420 1.659 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000184355925 533905221 /nfs/dbraw/zinc/90/52/21/533905221.db2.gz SZBDZGBIQZWSSZ-MVGZEHJDSA-N 0 3 346.431 1.750 20 5 EDBDHN CCN(CCO)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000183986908 528542520 /nfs/dbraw/zinc/54/25/20/528542520.db2.gz ULDBXBJWMQWITI-GFCCVEGCSA-N 0 3 341.433 1.506 20 5 EDBDHN CN(C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000346706869 535915551 /nfs/dbraw/zinc/91/55/51/535915551.db2.gz GMSIFXDIURBDOW-UHFFFAOYSA-N 0 3 346.387 1.804 20 5 EDBDHN COC(=O)c1cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1 ZINC000346329512 536871570 /nfs/dbraw/zinc/87/15/70/536871570.db2.gz RWNKIZDXUXFYNF-KRWDZBQOSA-N 0 3 347.371 1.549 20 5 EDBDHN O=[N+]([O-])c1nn(CN2CC[C@@H](N3CC=CC3)C2)cc1Br ZINC000742163526 579437381 /nfs/dbraw/zinc/43/73/81/579437381.db2.gz TZZOLFWTVWJUKI-SNVBAGLBSA-N 0 3 342.197 1.457 20 5 EDBDHN C[C@H]1CCC[C@H](C)[NH+]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736247409 578968195 /nfs/dbraw/zinc/96/81/95/578968195.db2.gz CQHASEPGATZZNU-QWRGUYRKSA-N 0 3 346.395 1.845 20 5 EDBDHN C[C@H]1CCC[C@H](C)[NH+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736247409 578968196 /nfs/dbraw/zinc/96/81/96/578968196.db2.gz CQHASEPGATZZNU-QWRGUYRKSA-N 0 3 346.395 1.845 20 5 EDBDHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736859756 579027842 /nfs/dbraw/zinc/02/78/42/579027842.db2.gz IXIMTVCFVDDAJZ-LSDHHAIUSA-N 0 3 343.391 1.838 20 5 EDBDHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736859756 579027843 /nfs/dbraw/zinc/02/78/43/579027843.db2.gz IXIMTVCFVDDAJZ-LSDHHAIUSA-N 0 3 343.391 1.838 20 5 EDBDHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736859756 579027844 /nfs/dbraw/zinc/02/78/44/579027844.db2.gz IXIMTVCFVDDAJZ-LSDHHAIUSA-N 0 3 343.391 1.838 20 5 EDBDHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736859756 579027845 /nfs/dbraw/zinc/02/78/45/579027845.db2.gz IXIMTVCFVDDAJZ-LSDHHAIUSA-N 0 3 343.391 1.838 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000744798596 579524686 /nfs/dbraw/zinc/52/46/86/579524686.db2.gz CLKHXNSEAKMSAO-LBPRGKRZSA-N 0 3 331.376 1.403 20 5 EDBDHN COc1ccc(CC(=O)N2CCC23CCN(C)CC3)cc1[N+](=O)[O-] ZINC000748326266 579679685 /nfs/dbraw/zinc/67/96/85/579679685.db2.gz POJSHTABUKBPJB-UHFFFAOYSA-N 0 3 333.388 1.843 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CCO)C2CC2)cc1 ZINC000771797440 580294234 /nfs/dbraw/zinc/29/42/34/580294234.db2.gz ACXNGPLOVNUBLT-AWEZNQCLSA-N 0 3 328.390 1.119 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000772848642 580321802 /nfs/dbraw/zinc/32/18/02/580321802.db2.gz XBQBWTZIZJJATB-CHWSQXEVSA-N 0 3 327.381 1.852 20 5 EDBDHN C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000774708175 580371569 /nfs/dbraw/zinc/37/15/69/580371569.db2.gz RLJUIMCXCUWRDU-IHRRRGAJSA-N 0 3 348.403 1.818 20 5 EDBDHN COC(=O)[C@H]1[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794986222 580909969 /nfs/dbraw/zinc/90/99/69/580909969.db2.gz WTQWIWCGCSGQFR-NHAGDIPZSA-N 0 3 333.344 1.274 20 5 EDBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000801798325 581084972 /nfs/dbraw/zinc/08/49/72/581084972.db2.gz UXRBMSYMZFUIOI-UHFFFAOYSA-N 0 3 345.334 1.674 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801880905 581087175 /nfs/dbraw/zinc/08/71/75/581087175.db2.gz YUEAHBTWLSQVAR-SNVBAGLBSA-N 0 3 340.355 1.157 20 5 EDBDHN COc1cc([N+](=O)[O-])cnc1N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000893048907 590635633 /nfs/dbraw/zinc/63/56/33/590635633.db2.gz VIGSNGOIMJJTAI-DZGCQCFKSA-N 0 3 349.435 1.461 20 5 EDBDHN CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CCN(C)CC1 ZINC000888179427 591435075 /nfs/dbraw/zinc/43/50/75/591435075.db2.gz SDLDLQFWCDFJRB-UHFFFAOYSA-N 0 3 349.387 1.922 20 5 EDBDHN O=[N+]([O-])c1c(NC[C@H]2CCN2C2CCOCC2)nc2sccn21 ZINC000896515385 591487935 /nfs/dbraw/zinc/48/79/35/591487935.db2.gz BYUBYRAWCBFEQM-LLVKDONJSA-N 0 3 337.405 1.969 20 5 EDBDHN CN1CCN(C)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000897098766 591740316 /nfs/dbraw/zinc/74/03/16/591740316.db2.gz VHMGWCUMQITJCQ-UHFFFAOYSA-N 0 3 344.362 1.880 20 5 EDBDHN COC[C@H]1CNCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000900448725 592020935 /nfs/dbraw/zinc/02/09/35/592020935.db2.gz AZHGOHJVDXZAAW-SNVBAGLBSA-N 0 3 330.182 1.782 20 5 EDBDHN CN1C[C@]2(C)CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000902807552 592063878 /nfs/dbraw/zinc/06/38/78/592063878.db2.gz ZVKUAWVICYTZPR-IAGOWNOFSA-N 0 3 346.387 1.334 20 5 EDBDHN COc1cc([C@H](C)N[C@@H](C)CN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903092526 592121907 /nfs/dbraw/zinc/12/19/07/592121907.db2.gz LCYQAKBUWSOQSV-KBPBESRZSA-N 0 3 336.436 1.890 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H](O)Cc2ccccc2F)cc1 ZINC000905470938 592544648 /nfs/dbraw/zinc/54/46/48/592544648.db2.gz FIGORONATGEDCN-RDJZCZTQSA-N 0 3 334.347 1.961 20 5 EDBDHN NC(=O)c1ccnc(NC2CCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000811726338 593477120 /nfs/dbraw/zinc/47/71/20/593477120.db2.gz YXTHDPXUEAWAQB-LBPRGKRZSA-N 0 3 349.391 1.144 20 5 EDBDHN CC(COC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O)[N+](=O)[O-] ZINC000813112115 593518468 /nfs/dbraw/zinc/51/84/68/593518468.db2.gz ZXJNZRDIBRIRHY-ZUZCIYMTSA-N 0 3 341.364 1.086 20 5 EDBDHN CC(COC(=O)CCNC(=O)N1CCc2ccccc2C1)[N+](=O)[O-] ZINC000813114571 593518837 /nfs/dbraw/zinc/51/88/37/593518837.db2.gz CXITYPQPFPVNDN-GFCCVEGCSA-N 0 3 335.360 1.353 20 5 EDBDHN CO[C@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000819067281 593737076 /nfs/dbraw/zinc/73/70/76/593737076.db2.gz HMMSKLKNFCBHDZ-JOYOIKCWSA-N 0 3 338.282 1.501 20 5 EDBDHN C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824605104 594046489 /nfs/dbraw/zinc/04/64/89/594046489.db2.gz FNKSZTLASUGMDM-SNVBAGLBSA-N 0 3 328.336 1.322 20 5 EDBDHN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC000830545578 594418845 /nfs/dbraw/zinc/41/88/45/594418845.db2.gz JFQWIFYBFFQJTD-UHFFFAOYSA-N 0 3 334.420 1.974 20 5 EDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000826543369 594521588 /nfs/dbraw/zinc/52/15/88/594521588.db2.gz AQOYAMSHXNHFGU-ZDUSSCGKSA-N 0 3 339.367 1.917 20 5 EDBDHN CCO[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)CN(C)C ZINC000831714440 594695377 /nfs/dbraw/zinc/69/53/77/594695377.db2.gz WEYLUUDPUCDYCB-SNVBAGLBSA-N 0 3 329.784 1.945 20 5 EDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CNCCC1(F)F)OCCO2 ZINC000841073906 594848079 /nfs/dbraw/zinc/84/80/79/594848079.db2.gz AJXPUSTWDNRROE-CYBMUJFWSA-N 0 3 329.303 1.453 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H]3CNCCO3)n2)c1 ZINC000843222350 595041952 /nfs/dbraw/zinc/04/19/52/595041952.db2.gz HBLMXHSIFCWKKA-GFCCVEGCSA-N 0 3 334.332 1.108 20 5 EDBDHN CN(C)C1(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC1 ZINC000837213406 595059435 /nfs/dbraw/zinc/05/94/35/595059435.db2.gz WJJDJPKXJPKYIQ-UHFFFAOYSA-N 0 3 333.392 1.123 20 5 EDBDHN CC([C@H](OC(=O)CCCS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874011 595085074 /nfs/dbraw/zinc/08/50/74/595085074.db2.gz GLAYVWOFRRGKBJ-HZMBPMFUSA-N 0 3 347.364 1.900 20 5 EDBDHN O=C(CN1CCNC[C@H]1C(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843386212 595096497 /nfs/dbraw/zinc/09/64/97/595096497.db2.gz WVLYNUHUNUGKJS-NSHDSACASA-N 0 3 348.737 1.726 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000843103724 595287816 /nfs/dbraw/zinc/28/78/16/595287816.db2.gz BRWQBMFFRUIEKZ-RYQLBKOJSA-N 0 3 346.383 1.702 20 5 EDBDHN C/C(=C/C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000848306405 595357881 /nfs/dbraw/zinc/35/78/81/595357881.db2.gz RRKNQXHOJKLJNV-VGQMVEDTSA-N 0 3 331.372 1.276 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860161704 595601510 /nfs/dbraw/zinc/60/15/10/595601510.db2.gz KNSOKJBBCNZTIZ-ZYHUDNBSSA-N 0 3 349.343 1.037 20 5 EDBDHN COC(=O)Cc1ccc(N2CCc3nccc(N)c3C2)c([N+](=O)[O-])c1 ZINC000857900119 595648040 /nfs/dbraw/zinc/64/80/40/595648040.db2.gz YJRFAIXGNNSPJI-UHFFFAOYSA-N 0 3 342.355 1.850 20 5 EDBDHN CCCN1CC[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000856073179 595887871 /nfs/dbraw/zinc/88/78/71/595887871.db2.gz KSYSIBFHBBQBSW-BLLLJJGKSA-N 0 3 346.387 1.688 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000861355523 595960041 /nfs/dbraw/zinc/96/00/41/595960041.db2.gz QSHVSSCUAAEWQM-HNNXBMFYSA-N 0 3 341.795 1.777 20 5 EDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000852018536 596009104 /nfs/dbraw/zinc/00/91/04/596009104.db2.gz ODWRLNZWROPISE-GOSISDBHSA-N 0 3 343.383 1.442 20 5 EDBDHN CN(C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000867960648 596636441 /nfs/dbraw/zinc/63/64/41/596636441.db2.gz ODLITUAODQBOOJ-NVXWUHKLSA-N 0 3 332.404 1.464 20 5 EDBDHN O=C1OC[C@]2(CNC/C=C/c3ccccc3[N+](=O)[O-])COCCN12 ZINC000865769045 596675083 /nfs/dbraw/zinc/67/50/83/596675083.db2.gz SJMHUKLFRASKIZ-WMHVBEDNSA-N 0 3 333.344 1.419 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CCCN1S(C)(=O)=O ZINC000873095512 597191624 /nfs/dbraw/zinc/19/16/24/597191624.db2.gz XYMGDTYVQNTOFR-CYBMUJFWSA-N 0 3 341.433 1.725 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@@H]1CCCN2C ZINC000880135478 597852089 /nfs/dbraw/zinc/85/20/89/597852089.db2.gz WCBVAQRCKXYIJN-CABCVRRESA-N 0 3 348.403 1.710 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880582503 597970199 /nfs/dbraw/zinc/97/01/99/597970199.db2.gz OVIVHZKGXNYSNL-HZPDHXFCSA-N 0 3 336.388 1.492 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nnn[n-]2)c1 ZINC000738369292 598499381 /nfs/dbraw/zinc/49/93/81/598499381.db2.gz KKVNLHPJAYVYHV-NEPJUHHUSA-N 0 3 330.352 1.209 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(-c2nnn[n-]2)c1 ZINC000738369292 598499383 /nfs/dbraw/zinc/49/93/83/598499383.db2.gz KKVNLHPJAYVYHV-NEPJUHHUSA-N 0 3 330.352 1.209 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nn[n-]n2)c1 ZINC000738369292 598499384 /nfs/dbraw/zinc/49/93/84/598499384.db2.gz KKVNLHPJAYVYHV-NEPJUHHUSA-N 0 3 330.352 1.209 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(-c2nn[n-]n2)c1 ZINC000738369292 598499386 /nfs/dbraw/zinc/49/93/86/598499386.db2.gz KKVNLHPJAYVYHV-NEPJUHHUSA-N 0 3 330.352 1.209 20 5 EDBDHN O=C(c1cn[nH]n1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000996756132 703044466 /nfs/dbraw/zinc/04/44/66/703044466.db2.gz KNPSLLDIJSTXPC-UHFFFAOYSA-N 0 3 336.377 1.169 20 5 EDBDHN COCC(=O)N1CCC(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000997453419 703677774 /nfs/dbraw/zinc/67/77/74/703677774.db2.gz KTYOTOFZMOWAJN-UHFFFAOYSA-N 0 3 327.406 1.631 20 5 EDBDHN COc1ccnc(CN2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001005378095 708835460 /nfs/dbraw/zinc/83/54/60/708835460.db2.gz IMPIOBUCGMSCCU-HZPDHXFCSA-N 0 3 348.403 1.178 20 5 EDBDHN Cc1nn[n-]c1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001003416025 710331126 /nfs/dbraw/zinc/33/11/26/710331126.db2.gz NFEJKHLSJLPXMS-UHFFFAOYSA-N 0 3 344.375 1.416 20 5 EDBDHN Cc1c(C(=O)N[C@H](C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000184384965 235384030 /nfs/dbraw/zinc/38/40/30/235384030.db2.gz VWZABLFDXMOBDQ-CYBMUJFWSA-N 0 3 334.420 1.659 20 5 EDBDHN CC(C)c1ccc(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563430417 306332839 /nfs/dbraw/zinc/33/28/39/306332839.db2.gz BEYUCZVRRBHWIK-UKRRQHHQSA-N 0 3 332.404 1.462 20 5 EDBDHN Cc1sc(S(=O)(=O)[N-]CCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000123500914 138319038 /nfs/dbraw/zinc/31/90/38/138319038.db2.gz HMNFKDYMGOMBMS-UHFFFAOYSA-N 0 3 347.462 1.975 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CO)CC(F)(F)F)c1 ZINC000564083988 306355342 /nfs/dbraw/zinc/35/53/42/306355342.db2.gz FCBWFRHLSVAZOI-ONGXEEELSA-N 0 3 338.282 1.237 20 5 EDBDHN CCC(=O)N1CC[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564851281 306367476 /nfs/dbraw/zinc/36/74/76/306367476.db2.gz AZMNKYZWBUCULX-GFCCVEGCSA-N 0 3 334.376 1.524 20 5 EDBDHN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235720583 139026219 /nfs/dbraw/zinc/02/62/19/139026219.db2.gz ALVHZYKJVQUENT-WPRPVWTQSA-N 0 3 333.797 1.667 20 5 EDBDHN Cn1cc(CNCCn2cccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237923404 139063881 /nfs/dbraw/zinc/06/38/81/139063881.db2.gz VQUZBUMENRUDHS-UHFFFAOYSA-N 0 3 326.360 1.982 20 5 EDBDHN Cc1ccc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000568761460 306488722 /nfs/dbraw/zinc/48/87/22/306488722.db2.gz VAVJUCCSHJLDHR-AWEZNQCLSA-N 0 3 344.375 1.431 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424221463 252166857 /nfs/dbraw/zinc/16/68/57/252166857.db2.gz BUOHTHFHMDQLJK-LSDHHAIUSA-N 0 3 343.387 1.512 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425808388 252310740 /nfs/dbraw/zinc/31/07/40/252310740.db2.gz HFPSKNUKWASIRR-SWLSCSKDSA-N 0 3 346.387 1.394 20 5 EDBDHN O=C1C[C@H](NC2(CO)CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000570104529 306530405 /nfs/dbraw/zinc/53/04/05/306530405.db2.gz KXIVVQNVUOXZSH-ZDUSSCGKSA-N 0 3 333.344 1.121 20 5 EDBDHN O=C1OCCN1C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000496481762 255397355 /nfs/dbraw/zinc/39/73/55/255397355.db2.gz RJTGBWUZBGWXGR-WFASDCNBSA-N 0 3 335.360 1.402 20 5 EDBDHN CNC(=O)c1ccc(N2C[C@@H](N(C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000270343248 140082533 /nfs/dbraw/zinc/08/25/33/140082533.db2.gz FNBVGDHZHFJHKL-KGLIPLIRSA-N 0 3 338.433 1.436 20 5 EDBDHN Cc1cc(CN(C)C)cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000270366483 140086980 /nfs/dbraw/zinc/08/69/80/140086980.db2.gz IOPUJYLMLYEYIU-UHFFFAOYSA-N 0 3 344.371 1.765 20 5 EDBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270489153 140109833 /nfs/dbraw/zinc/10/98/33/140109833.db2.gz UFRVSNPBKHQMKC-CXAGYDPISA-N 0 3 349.387 1.905 20 5 EDBDHN Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(OCCN(C)C)c1 ZINC000270803594 140172258 /nfs/dbraw/zinc/17/22/58/140172258.db2.gz OAWMRNVYLLATOD-UHFFFAOYSA-N 0 3 347.375 1.829 20 5 EDBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC000270854421 140183513 /nfs/dbraw/zinc/18/35/13/140183513.db2.gz YNLWYKDTOYQEJL-UHFFFAOYSA-N 0 3 335.364 1.434 20 5 EDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCN(C2CC2)C1 ZINC000331375466 141013420 /nfs/dbraw/zinc/01/34/20/141013420.db2.gz GRIHLFWUQAWMPO-VIFPVBQESA-N 0 3 325.315 1.768 20 5 EDBDHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331961809 141103644 /nfs/dbraw/zinc/10/36/44/141103644.db2.gz BCMBFRAMKARZMC-PMPSAXMXSA-N 0 3 349.431 1.893 20 5 EDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000332560033 141203292 /nfs/dbraw/zinc/20/32/92/141203292.db2.gz QJXKDSSHVXKUIV-CYBMUJFWSA-N 0 3 338.412 1.211 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)C(N)=O)c2)c1 ZINC000338265265 141771289 /nfs/dbraw/zinc/77/12/89/141771289.db2.gz JCBQWPHOUFSZIB-UHFFFAOYSA-N 0 3 342.311 1.579 20 5 EDBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000345714874 143124748 /nfs/dbraw/zinc/12/47/48/143124748.db2.gz ZRYGVDJCLGRABC-UKRRQHHQSA-N 0 3 340.401 1.421 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)CN(C)C ZINC000416506328 304326184 /nfs/dbraw/zinc/32/61/84/304326184.db2.gz GEEBKLJYKZXMRG-UHFFFAOYSA-N 0 3 331.394 1.222 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000573334708 306619039 /nfs/dbraw/zinc/61/90/39/306619039.db2.gz YEYSPAUGFHVWRF-AWEZNQCLSA-N 0 3 346.387 1.538 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCCCN1S(C)(=O)=O ZINC000353101700 149287252 /nfs/dbraw/zinc/28/72/52/149287252.db2.gz YFFDAVPZUQJIKP-OAHLLOKOSA-N 0 3 341.433 1.807 20 5 EDBDHN COC(=O)COc1ccc(CNC(C)(C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000353242457 149337108 /nfs/dbraw/zinc/33/71/08/149337108.db2.gz YRZHSHBVCVIFIY-SNVBAGLBSA-N 0 3 326.349 1.396 20 5 EDBDHN COc1ccc(CSCC(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000357860209 151175274 /nfs/dbraw/zinc/17/52/74/151175274.db2.gz BVVMCUSWFOYLGK-NSHDSACASA-N 0 3 341.433 1.903 20 5 EDBDHN C[C@@H](C(=O)NC[C@]1(O)CCN(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000358055442 151249893 /nfs/dbraw/zinc/24/98/93/151249893.db2.gz MEVHDRIEFZVIFN-MEBBXXQBSA-N 0 3 325.340 1.020 20 5 EDBDHN CNc1c(C(=O)NC[C@@H](O)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000360957311 152263007 /nfs/dbraw/zinc/26/30/07/152263007.db2.gz YXSXFLBHONMHJK-GFCCVEGCSA-N 0 3 336.392 1.213 20 5 EDBDHN Cc1cc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000361010225 152277881 /nfs/dbraw/zinc/27/78/81/152277881.db2.gz BXQBEYIWHAJWQL-MRXNPFEDSA-N 0 3 346.431 1.755 20 5 EDBDHN COCCCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000370161633 155355717 /nfs/dbraw/zinc/35/57/17/155355717.db2.gz LDNFJTWLKZUPEN-UHFFFAOYSA-N 0 3 336.392 1.361 20 5 EDBDHN Cc1cc(C(=O)N2CCCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000364592914 153281492 /nfs/dbraw/zinc/28/14/92/153281492.db2.gz UULKWYUGQQBJFH-UHFFFAOYSA-N 0 3 335.404 1.822 20 5 EDBDHN COc1cc(CN2CCCN([C@H](C)CO)CC2)c([N+](=O)[O-])cc1F ZINC000364913637 153368306 /nfs/dbraw/zinc/36/83/06/153368306.db2.gz HJHNUNXBPFETRE-GFCCVEGCSA-N 0 3 341.383 1.631 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H]1Cc2ccccc2O1 ZINC000574432253 306650805 /nfs/dbraw/zinc/65/08/05/306650805.db2.gz LQMHAZMRLCHQTK-CABCVRRESA-N 0 3 344.367 1.928 20 5 EDBDHN Cc1cc(OCC(=O)N2CC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000373979084 157092007 /nfs/dbraw/zinc/09/20/07/157092007.db2.gz VBXMSLQZVHFEIM-CQSZACIVSA-N 0 3 333.388 1.979 20 5 EDBDHN C[C@]1(c2ccccc2)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000378127277 158086793 /nfs/dbraw/zinc/08/67/93/158086793.db2.gz PIXBNCIETPVKKP-SJORKVTESA-N 0 3 330.388 1.816 20 5 EDBDHN Cn1cc(CN2CCC(C(N)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158578980 225047140 /nfs/dbraw/zinc/04/71/40/225047140.db2.gz CNBDHROBKKWTCF-UHFFFAOYSA-N 0 3 343.387 1.693 20 5 EDBDHN O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1n[n-]cc1[N+](=O)[O-] ZINC000122320379 222061480 /nfs/dbraw/zinc/06/14/80/222061480.db2.gz UCWWHSHNKAECLT-UHFFFAOYSA-N 0 3 329.360 1.844 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000122440700 222089523 /nfs/dbraw/zinc/08/95/23/222089523.db2.gz HVOKPVQBSYFLJT-CQSZACIVSA-N 0 3 348.447 1.907 20 5 EDBDHN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000274589473 268164529 /nfs/dbraw/zinc/16/45/29/268164529.db2.gz DYXOEXDGZLDGLX-ABAIWWIYSA-N 0 3 331.376 1.750 20 5 EDBDHN CC(C)[C@@H](CCO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000274619408 268170456 /nfs/dbraw/zinc/17/04/56/268170456.db2.gz RFEJDPHGBDVFBC-SNVBAGLBSA-N 0 3 339.348 1.259 20 5 EDBDHN O=C(CN[C@H]1CCC[C@@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279238202 273287144 /nfs/dbraw/zinc/28/71/44/273287144.db2.gz JTQLMFZYHXRQMW-DOMZBBRYSA-N 0 3 333.388 1.625 20 5 EDBDHN O=C(CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCC(F)F ZINC000280897497 273412390 /nfs/dbraw/zinc/41/23/90/273412390.db2.gz PLWSLRUKRCVIBV-LBPRGKRZSA-N 0 3 327.331 1.887 20 5 EDBDHN CN1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000284462740 274210971 /nfs/dbraw/zinc/21/09/71/274210971.db2.gz AOHMWNSZYQUFME-HZPDHXFCSA-N 0 3 349.387 1.366 20 5 EDBDHN Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000284633669 274272840 /nfs/dbraw/zinc/27/28/40/274272840.db2.gz UEHAUEMLTIDHJM-CZUORRHYSA-N 0 3 329.360 1.438 20 5 EDBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331430309 274310577 /nfs/dbraw/zinc/31/05/77/274310577.db2.gz LYYJRWUIDFHLRQ-MCIONIFRSA-N 0 3 347.419 1.875 20 5 EDBDHN CC(C)(C(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000343174343 277124821 /nfs/dbraw/zinc/12/48/21/277124821.db2.gz JYGJVNMEBBEUJN-AWEZNQCLSA-N 0 3 349.431 1.835 20 5 EDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000253357502 278259155 /nfs/dbraw/zinc/25/91/55/278259155.db2.gz BPFZDCTZXKKHHC-STQMWFEESA-N 0 3 348.403 1.770 20 5 EDBDHN O=C(CN1CCCC1)N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342058796 279765113 /nfs/dbraw/zinc/76/51/13/279765113.db2.gz SFUPVBMVLCDBFK-UHFFFAOYSA-N 0 3 336.367 1.478 20 5 EDBDHN O=C(N[C@@H](CO)CN1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000288639810 288533978 /nfs/dbraw/zinc/53/39/78/288533978.db2.gz XGAFGLPMCIFZMQ-GFCCVEGCSA-N 0 3 346.387 1.653 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)C1CCCC1 ZINC000289421119 288696542 /nfs/dbraw/zinc/69/65/42/288696542.db2.gz CCZAEMJOGQEPHK-CQSZACIVSA-N 0 3 337.376 1.683 20 5 EDBDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000292405951 289337725 /nfs/dbraw/zinc/33/77/25/289337725.db2.gz LQEMARSVRVDCSB-HUUCEWRRSA-N 0 3 342.417 1.919 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCCC[C@H]2CN)cc1[N+](=O)[O-] ZINC000419272518 304585222 /nfs/dbraw/zinc/58/52/22/304585222.db2.gz PWMKHQIBLJZDDT-OCCSQVGLSA-N 0 3 348.403 1.420 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422017304 447310358 /nfs/dbraw/zinc/31/03/58/447310358.db2.gz HRQHDECJHWCGLW-WFASDCNBSA-N 0 3 348.403 1.266 20 5 EDBDHN COc1cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)c([N+](=O)[O-])cc1F ZINC000452127829 305384465 /nfs/dbraw/zinc/38/44/65/305384465.db2.gz TYDPVKJUNAKBHI-INIZCTEOSA-N 0 3 337.351 1.910 20 5 EDBDHN CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000548416004 306127583 /nfs/dbraw/zinc/12/75/83/306127583.db2.gz AFMVAAYHRFSALV-UHFFFAOYSA-N 0 3 341.387 1.691 20 5 EDBDHN CN(C)CCN(CCN(C)C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000548416004 306127584 /nfs/dbraw/zinc/12/75/84/306127584.db2.gz AFMVAAYHRFSALV-UHFFFAOYSA-N 0 3 341.387 1.691 20 5 EDBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCCN(CC2CCC2)CC1 ZINC000549729854 306147941 /nfs/dbraw/zinc/14/79/41/306147941.db2.gz SKHHTLYOGNQAQQ-UHFFFAOYSA-N 0 3 348.403 1.091 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000057256415 441102951 /nfs/dbraw/zinc/10/29/51/441102951.db2.gz RVMFKJUYHIXJAF-UHFFFAOYSA-N 0 3 338.383 1.491 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070871467 441125134 /nfs/dbraw/zinc/12/51/34/441125134.db2.gz BDJYKBCLSKRVKV-LLVKDONJSA-N 0 3 335.360 1.580 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN(C)Cc1ccccc1 ZINC000065882130 441491650 /nfs/dbraw/zinc/49/16/50/441491650.db2.gz MLTUHQRSRQYLCS-UHFFFAOYSA-N 0 3 331.376 1.348 20 5 EDBDHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000030375374 441491996 /nfs/dbraw/zinc/49/19/96/441491996.db2.gz GJYGDFGDDPJAIU-LBPRGKRZSA-N 0 3 329.422 1.912 20 5 EDBDHN C[C@H](CN1CCCCC1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000109254851 441492849 /nfs/dbraw/zinc/49/28/49/441492849.db2.gz CYYXJOTXAQSJHA-CYBMUJFWSA-N 0 3 349.387 1.777 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000075744892 441553611 /nfs/dbraw/zinc/55/36/11/441553611.db2.gz HVWHAMDKUOBUFQ-GOEBONIOSA-N 0 3 332.360 1.306 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067148661 441611008 /nfs/dbraw/zinc/61/10/08/441611008.db2.gz AQFXHDPKBIGVMO-NSHDSACASA-N 0 3 335.360 1.580 20 5 EDBDHN CC[C@@H](C)[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015402 441614802 /nfs/dbraw/zinc/61/48/02/441614802.db2.gz YAHTWSFPNBZYQU-NEPJUHHUSA-N 0 3 329.422 1.897 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000041668588 441667154 /nfs/dbraw/zinc/66/71/54/441667154.db2.gz FYBVTQNERMWQMW-GFCCVEGCSA-N 0 3 348.403 1.690 20 5 EDBDHN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000136824972 441726858 /nfs/dbraw/zinc/72/68/58/441726858.db2.gz VLCWPLMOICSASP-UHFFFAOYSA-N 0 3 347.350 1.851 20 5 EDBDHN Cc1cc([N+](=O)[O-])cnc1NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000092641118 441815541 /nfs/dbraw/zinc/81/55/41/441815541.db2.gz DSXPPZNPXDZZFQ-CQSZACIVSA-N 0 3 335.408 1.653 20 5 EDBDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000069137340 441897633 /nfs/dbraw/zinc/89/76/33/441897633.db2.gz CECDKVQCMURVBA-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCSC3(CCCCC3)C2)c1 ZINC000079503908 442056776 /nfs/dbraw/zinc/05/67/76/442056776.db2.gz CSPYPNFYAPZHMB-AWEZNQCLSA-N 0 3 340.449 1.904 20 5 EDBDHN CC(C)(CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000132808378 442400682 /nfs/dbraw/zinc/40/06/82/442400682.db2.gz QWZKKHPVLDZJQP-UHFFFAOYSA-N 0 3 338.412 1.355 20 5 EDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CN2CCOCC2)CC1 ZINC000192502306 442654355 /nfs/dbraw/zinc/65/43/55/442654355.db2.gz VOYRDDOARLSJBX-UHFFFAOYSA-N 0 3 337.424 1.668 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000173243005 442631588 /nfs/dbraw/zinc/63/15/88/442631588.db2.gz SHMHRVXNLWEZJN-JSGCOSHPSA-N 0 3 341.433 1.864 20 5 EDBDHN CCC(CC)(CC(=O)OC)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000267952459 442797802 /nfs/dbraw/zinc/79/78/02/442797802.db2.gz WXCCGEOQXGQXEV-UHFFFAOYSA-N 0 3 337.376 1.905 20 5 EDBDHN C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C)C1 ZINC000246627570 442797798 /nfs/dbraw/zinc/79/77/98/442797798.db2.gz KEIQQFSFDMMSMN-QWHCGFSZSA-N 0 3 338.412 1.211 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000268124869 442858006 /nfs/dbraw/zinc/85/80/06/442858006.db2.gz AJGXEBSAECYISO-NHYWBVRUSA-N 0 3 332.404 1.873 20 5 EDBDHN COCCN(CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000265658159 442867545 /nfs/dbraw/zinc/86/75/45/442867545.db2.gz RDIULXQYYLNTDB-UHFFFAOYSA-N 0 3 325.365 1.173 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000268181735 442887161 /nfs/dbraw/zinc/88/71/61/442887161.db2.gz LMJXVDFWHFTPAV-DOMZBBRYSA-N 0 3 332.404 1.996 20 5 EDBDHN CN(C)CCN(Cc1cccc(F)c1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000268280086 442929752 /nfs/dbraw/zinc/92/97/52/442929752.db2.gz AVZOKLFKLPOXRG-UHFFFAOYSA-N 0 3 334.355 1.674 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2C[C@@H](C)[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000268298276 442937463 /nfs/dbraw/zinc/93/74/63/442937463.db2.gz NYHGVHLBXHXGQP-QMTHXVAHSA-N 0 3 334.376 1.250 20 5 EDBDHN COc1cc(C(=O)NC[C@H](C)N(C)C2CC2)cc([N+](=O)[O-])c1OC ZINC000265932730 442974748 /nfs/dbraw/zinc/97/47/48/442974748.db2.gz GLWUBAYFMASXBR-JTQLQIEISA-N 0 3 337.376 1.825 20 5 EDBDHN COCCN1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000195186129 442994354 /nfs/dbraw/zinc/99/43/54/442994354.db2.gz BQFFAUOCUNIMGK-UHFFFAOYSA-N 0 3 346.387 1.917 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000189960691 443038096 /nfs/dbraw/zinc/03/80/96/443038096.db2.gz XSTTTZISRFCWKW-CYBMUJFWSA-N 0 3 341.433 1.926 20 5 EDBDHN CN(C)CCN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255127493 443086104 /nfs/dbraw/zinc/08/61/04/443086104.db2.gz HMYANISAAYQWHR-YVMONPNESA-N 0 3 332.404 1.314 20 5 EDBDHN O=[N+]([O-])c1ccc(OC2CCN(CCN3CCOCC3)CC2)cc1 ZINC000266603804 443183352 /nfs/dbraw/zinc/18/33/52/443183352.db2.gz SAKKSNMIEOJNBG-UHFFFAOYSA-N 0 3 335.404 1.770 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@]1(C)CCC[NH2+]C1 ZINC000262325006 443190007 /nfs/dbraw/zinc/19/00/07/443190007.db2.gz ROSUPWOXCWJBHW-CQSZACIVSA-N 0 3 327.406 1.571 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411222574 319171100 /nfs/dbraw/zinc/17/11/00/319171100.db2.gz HCVOHLCBOVGHQY-LLVKDONJSA-N 0 3 339.367 1.886 20 5 EDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000185971069 443292312 /nfs/dbraw/zinc/29/23/12/443292312.db2.gz BRYGGAGISNCROG-WFASDCNBSA-N 0 3 339.417 1.700 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000272451648 443322913 /nfs/dbraw/zinc/32/29/13/443322913.db2.gz JVIZHUDNFWYQQE-DOMZBBRYSA-N 0 3 341.433 1.349 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC[C@H]1CCC[NH2+]1 ZINC000420439207 319619980 /nfs/dbraw/zinc/61/99/80/319619980.db2.gz FTESWXHSEZDYFG-LLVKDONJSA-N 0 3 343.405 1.414 20 5 EDBDHN C[C@@H]1OCC[C@]1(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000278700017 443405577 /nfs/dbraw/zinc/40/55/77/443405577.db2.gz QUDDJNYUIGLCDZ-XPTSAGLGSA-N 0 3 332.303 1.826 20 5 EDBDHN CN(C[C@H]1CCN(C)C1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272271947 443575743 /nfs/dbraw/zinc/57/57/43/443575743.db2.gz RZNSUXWCUIRRNP-VIFPVBQESA-N 0 3 335.389 1.623 20 5 EDBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCN1CCCC1 ZINC000447806333 320145433 /nfs/dbraw/zinc/14/54/33/320145433.db2.gz MLWQLDUETUGDCP-UHFFFAOYSA-N 0 3 334.420 1.935 20 5 EDBDHN CCN1C[C@H](N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000449519952 320193560 /nfs/dbraw/zinc/19/35/60/320193560.db2.gz RJYSLKRCDMGSIC-DGCLKSJQSA-N 0 3 334.376 1.522 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000471632017 320352757 /nfs/dbraw/zinc/35/27/57/320352757.db2.gz ALVNHCJCCLOGMW-CYBMUJFWSA-N 0 3 338.408 1.842 20 5 EDBDHN CN1CC[C@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000286296117 443684650 /nfs/dbraw/zinc/68/46/50/443684650.db2.gz VJXASWBHTALGPA-GHMZBOCLSA-N 0 3 335.389 1.509 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000492783615 320386201 /nfs/dbraw/zinc/38/62/01/320386201.db2.gz QMFNQTBZPCUTGK-UWUBPMADSA-N 0 3 331.372 1.540 20 5 EDBDHN CN(CCCN(C)c1ncc([N+](=O)[O-])cc1C(N)=O)Cc1ccco1 ZINC000286261723 443679228 /nfs/dbraw/zinc/67/92/28/443679228.db2.gz FCKTZVALGNNWDB-UHFFFAOYSA-N 0 3 347.375 1.640 20 5 EDBDHN O=C(CN1CCNC[C@H]1C(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000519156694 320463293 /nfs/dbraw/zinc/46/32/93/320463293.db2.gz FFLQVZPJLKCMBU-NSHDSACASA-N 0 3 348.737 1.726 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCCC12CC2 ZINC000519545103 320466902 /nfs/dbraw/zinc/46/69/02/320466902.db2.gz HUFZMEWUHMUDRU-CQSZACIVSA-N 0 3 339.417 1.795 20 5 EDBDHN CN1CCO[C@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284956990 443797830 /nfs/dbraw/zinc/79/78/30/443797830.db2.gz XEBZTTAQRTXZND-IRXDYDNUSA-N 0 3 335.404 1.769 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000298455121 443773026 /nfs/dbraw/zinc/77/30/26/443773026.db2.gz RHEBSWVMXODOKI-IAQYHMDHSA-N 0 3 337.376 1.777 20 5 EDBDHN CC(C)(CO)[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000292925248 443880194 /nfs/dbraw/zinc/88/01/94/443880194.db2.gz CBAIQRPDAVZKJL-QGZVFWFLSA-N 0 3 347.415 1.871 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000298740969 443855244 /nfs/dbraw/zinc/85/52/44/443855244.db2.gz VVWVPNLXKWKZFF-UHFFFAOYSA-N 0 3 348.403 1.751 20 5 EDBDHN O=C(N[C@@H](CO)CN1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000288631873 443939728 /nfs/dbraw/zinc/93/97/28/443939728.db2.gz WPPQWVAHLAZMAU-CYBMUJFWSA-N 0 3 346.387 1.653 20 5 EDBDHN CN1CC[C@H]2OCCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285227979 443903641 /nfs/dbraw/zinc/90/36/41/443903641.db2.gz KKOAPCSXNGVTEE-GOEBONIOSA-N 0 3 349.387 1.295 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000299262803 444000313 /nfs/dbraw/zinc/00/03/13/444000313.db2.gz LNRRUGNVTLNVRO-DOMZBBRYSA-N 0 3 348.403 1.559 20 5 EDBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554890952 320959828 /nfs/dbraw/zinc/95/98/28/320959828.db2.gz AYDGMECPDUOCGG-UHFFFAOYSA-N 0 3 335.339 1.661 20 5 EDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285639282 444056492 /nfs/dbraw/zinc/05/64/92/444056492.db2.gz LELAZWXOEAGWRV-SWLSCSKDSA-N 0 3 346.387 1.619 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cccc(CO)c1 ZINC000569095858 321318602 /nfs/dbraw/zinc/31/86/02/321318602.db2.gz ZPHACVUTZJPXPH-OAHLLOKOSA-N 0 3 332.356 1.617 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@](C)(C(N)=O)C(C)C ZINC000289345292 444113592 /nfs/dbraw/zinc/11/35/92/444113592.db2.gz MIMRIRXXKUYKAP-INIZCTEOSA-N 0 3 336.392 1.721 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC[C@H]1CO ZINC000304244114 444244049 /nfs/dbraw/zinc/24/40/49/444244049.db2.gz UJXQJQSPNWBHJH-ZDUSSCGKSA-N 0 3 335.360 1.740 20 5 EDBDHN Cc1cc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000297952705 444367351 /nfs/dbraw/zinc/36/73/51/444367351.db2.gz TVDSKYKKCKREET-LBPRGKRZSA-N 0 3 348.403 1.690 20 5 EDBDHN NC(=O)c1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000580826744 322099786 /nfs/dbraw/zinc/09/97/86/322099786.db2.gz RKOXIDJNRAMZNE-UHFFFAOYSA-N 0 3 342.355 1.812 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000342188492 444554745 /nfs/dbraw/zinc/55/47/45/444554745.db2.gz GTMGHYZPMAURJY-LLVKDONJSA-N 0 3 325.365 1.186 20 5 EDBDHN COCCCN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344209427 444841178 /nfs/dbraw/zinc/84/11/78/444841178.db2.gz JITYQTYDWRDSDC-UHFFFAOYSA-N 0 3 339.367 1.965 20 5 EDBDHN CN(C)Cc1ccc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 ZINC000342913841 444939046 /nfs/dbraw/zinc/93/90/46/444939046.db2.gz LIONXLUVAUUKIL-UHFFFAOYSA-N 0 3 344.371 1.135 20 5 EDBDHN Cn1cc(CNC[C@@H](O)[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344478677 445000688 /nfs/dbraw/zinc/00/06/88/445000688.db2.gz AXALTQVJWALFKU-XJKSGUPXSA-N 0 3 346.387 1.482 20 5 EDBDHN CC(=O)N1CCC(N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000354611604 445313569 /nfs/dbraw/zinc/31/35/69/445313569.db2.gz JDTUTEMHMJYJOP-LLVKDONJSA-N 0 3 334.376 1.522 20 5 EDBDHN CCN1CCN([C@H](C)CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000357326051 445549046 /nfs/dbraw/zinc/54/90/46/445549046.db2.gz WCNKXPFEKKDJSZ-CYBMUJFWSA-N 0 3 344.419 1.976 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCOCC2)cc1 ZINC000349685899 445645314 /nfs/dbraw/zinc/64/53/14/445645314.db2.gz QDQILCHWWLEVQA-GFCCVEGCSA-N 0 3 328.390 1.527 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CN1Cc1ccccc1 ZINC000356749987 445986950 /nfs/dbraw/zinc/98/69/50/445986950.db2.gz ZAKQAVWTKIOMAX-JSGCOSHPSA-N 0 3 343.387 1.721 20 5 EDBDHN CCN(C[C@H]1CCCN1CC)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000583459605 326077692 /nfs/dbraw/zinc/07/76/92/326077692.db2.gz RWHMZBUGXIQHRZ-CQSZACIVSA-N 0 3 337.424 1.823 20 5 EDBDHN O=C(c1cc(NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000420290728 446454441 /nfs/dbraw/zinc/45/44/41/446454441.db2.gz VYAWZZYLODKFCT-ZDUSSCGKSA-N 0 3 334.376 1.231 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000411394482 446516336 /nfs/dbraw/zinc/51/63/36/446516336.db2.gz BRFCEOVGIQVSBU-UHFFFAOYSA-N 0 3 348.403 1.704 20 5 EDBDHN Cc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375092064 446574893 /nfs/dbraw/zinc/57/48/93/446574893.db2.gz YHWHJGWQPIRLRA-UHFFFAOYSA-N 0 3 348.403 1.952 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000411755185 446668985 /nfs/dbraw/zinc/66/89/85/446668985.db2.gz GRWQZWKTTCTPIX-LSDHHAIUSA-N 0 3 343.387 2.095 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CNCCC2(F)F)c1C ZINC000420453900 446631306 /nfs/dbraw/zinc/63/13/06/446631306.db2.gz XZRMXCQJSIGKTI-GFCCVEGCSA-N 0 3 349.359 1.487 20 5 EDBDHN NC[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000423819556 446708758 /nfs/dbraw/zinc/70/87/58/446708758.db2.gz ALNYTRNHXLPMLC-HNNXBMFYSA-N 0 3 344.346 1.756 20 5 EDBDHN COC(=O)[C@H]1CN(C)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411906949 446715623 /nfs/dbraw/zinc/71/56/23/446715623.db2.gz ORISGXVBWGOBSK-ZDUSSCGKSA-N 0 3 337.376 1.010 20 5 EDBDHN CN1CCN(CCNc2ncnc3cccc([N+](=O)[O-])c32)CC1(C)C ZINC000440652730 446850838 /nfs/dbraw/zinc/85/08/38/446850838.db2.gz SVFWLPSPEGOLBP-UHFFFAOYSA-N 0 3 344.419 1.976 20 5 EDBDHN C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000419159122 446974416 /nfs/dbraw/zinc/97/44/16/446974416.db2.gz YUMKLQZEKLWSFJ-NEPJUHHUSA-N 0 3 334.376 1.112 20 5 EDBDHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419158380 446975032 /nfs/dbraw/zinc/97/50/32/446975032.db2.gz XNFLOMDESZQROR-VXGBXAGGSA-N 0 3 336.392 1.262 20 5 EDBDHN C[C@H]1CC[C@@H](O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000420999028 446977069 /nfs/dbraw/zinc/97/70/69/446977069.db2.gz BUPAIMUQGJVTFT-WCQYABFASA-N 0 3 335.360 1.738 20 5 EDBDHN CCCN1C[C@H](C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CC1=O ZINC000421356976 447139624 /nfs/dbraw/zinc/13/96/24/447139624.db2.gz ZAVVFEBSIGQTBV-NSHDSACASA-N 0 3 337.376 1.657 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425660419 447258400 /nfs/dbraw/zinc/25/84/00/447258400.db2.gz ZBJSZLZRGFUTLZ-SWLSCSKDSA-N 0 3 348.403 1.839 20 5 EDBDHN Cc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c(N)c([N+](=O)[O-])c1 ZINC000369020707 447269039 /nfs/dbraw/zinc/26/90/39/447269039.db2.gz ANZDQNPNRGSWQT-NEPJUHHUSA-N 0 3 334.376 1.078 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@](O)(CO)C1 ZINC000459649786 447731385 /nfs/dbraw/zinc/73/13/85/447731385.db2.gz RUJWHSBKMGXGLS-INIZCTEOSA-N 0 3 337.376 1.051 20 5 EDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000451917628 447783747 /nfs/dbraw/zinc/78/37/47/447783747.db2.gz NLJYPKKFSQGWFK-GDBMZVCRSA-N 0 3 346.431 1.942 20 5 EDBDHN C[C@H]1C[C@H]1N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488732876 447849869 /nfs/dbraw/zinc/84/98/69/447849869.db2.gz KTNFQLRHIQNQPD-TYNCELHUSA-N 0 3 332.404 1.860 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCCN1CCN(C)CC1 ZINC000523118349 447874359 /nfs/dbraw/zinc/87/43/59/447874359.db2.gz QPWMZLIXILLNQN-UHFFFAOYSA-N 0 3 334.420 1.661 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000569738350 447880481 /nfs/dbraw/zinc/88/04/81/447880481.db2.gz AZSLUEVLHWAREB-MRXNPFEDSA-N 0 3 335.404 1.770 20 5 EDBDHN CC(COC(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000496820927 447941511 /nfs/dbraw/zinc/94/15/11/447941511.db2.gz YPIMJFZJFKCCQC-UEKVPHQBSA-N 0 3 328.365 1.842 20 5 EDBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1C ZINC000525032172 447965891 /nfs/dbraw/zinc/96/58/91/447965891.db2.gz VMQAOCVRUCMCJU-GHMZBOCLSA-N 0 3 335.360 1.878 20 5 EDBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000507504296 448143218 /nfs/dbraw/zinc/14/32/18/448143218.db2.gz ITZZNSDYOZKHKB-WCQYABFASA-N 0 3 329.360 1.883 20 5 EDBDHN CCN(CC)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000591726616 448473673 /nfs/dbraw/zinc/47/36/73/448473673.db2.gz WEWRNXGFVCTDMA-HNNXBMFYSA-N 0 3 348.407 1.183 20 5 EDBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000591756716 448482896 /nfs/dbraw/zinc/48/28/96/448482896.db2.gz TZDYQMDXUAFLGT-IUODEOHRSA-N 0 3 336.392 1.232 20 5 EDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[NH2+]C1CCCCCC1 ZINC000517370318 448576501 /nfs/dbraw/zinc/57/65/01/448576501.db2.gz TZFLGFOOLHGRPM-UHFFFAOYSA-N 0 3 342.421 1.581 20 5 EDBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000573137995 448553383 /nfs/dbraw/zinc/55/33/83/448553383.db2.gz CFXGBFWXHZWMHT-GXTWGEPZSA-N 0 3 341.371 1.200 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])c2cccnc21 ZINC000591982771 448609678 /nfs/dbraw/zinc/60/96/78/448609678.db2.gz RADLGFMBJPORCU-LBPRGKRZSA-N 0 3 343.387 1.699 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1 ZINC000592243003 448760663 /nfs/dbraw/zinc/76/06/63/448760663.db2.gz YHPWIULGNKFODK-OAHLLOKOSA-N 0 3 344.371 1.919 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CC[C@@H](O)C2)cc1 ZINC000592431260 448832694 /nfs/dbraw/zinc/83/26/94/448832694.db2.gz ACUOMMLHCVRLBI-DGCLKSJQSA-N 0 3 328.390 1.119 20 5 EDBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000546811589 448851942 /nfs/dbraw/zinc/85/19/42/448851942.db2.gz GNWLUHRCTHWLPD-UHFFFAOYSA-N 0 3 345.359 1.895 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000590012824 449098499 /nfs/dbraw/zinc/09/84/99/449098499.db2.gz ZFXUMGXFKWYZIS-BBRMVZONSA-N 0 3 330.388 1.120 20 5 EDBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(N2CCCOCC2)CC1 ZINC000600006669 449145568 /nfs/dbraw/zinc/14/55/68/449145568.db2.gz BEEPWXAVESWBRI-UHFFFAOYSA-N 0 3 333.388 1.922 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@](O)(C3CC3)C2)c1 ZINC000595753291 449148531 /nfs/dbraw/zinc/14/85/31/449148531.db2.gz YLHHTXRUQFPNPL-NVXWUHKLSA-N 0 3 336.388 1.571 20 5 EDBDHN COc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590590197 449204489 /nfs/dbraw/zinc/20/44/89/449204489.db2.gz VPCNBEKYMIDGQS-PWSUYJOCSA-N 0 3 343.405 1.317 20 5 EDBDHN Cc1cccc(CN2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000601851011 449183238 /nfs/dbraw/zinc/18/32/38/449183238.db2.gz QWDYUWVVTWOLQA-OAHLLOKOSA-N 0 3 343.387 1.490 20 5 EDBDHN O=C1CCCN1C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595831660 449195265 /nfs/dbraw/zinc/19/52/65/449195265.db2.gz MACCUCVYDZCABS-CQSZACIVSA-N 0 3 333.388 1.918 20 5 EDBDHN O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000595943710 449270283 /nfs/dbraw/zinc/27/02/83/449270283.db2.gz RANQYMRGVBBDAF-CQSZACIVSA-N 0 3 344.327 1.609 20 5 EDBDHN CN(C)CCN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1=O ZINC000593486360 449306201 /nfs/dbraw/zinc/30/62/01/449306201.db2.gz UBOIWFKMIHXYKM-UHFFFAOYSA-N 0 3 343.387 1.353 20 5 EDBDHN NS(=O)(=O)c1ccc(NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000596076814 449350836 /nfs/dbraw/zinc/35/08/36/449350836.db2.gz PWGPUHVTDPNAIK-UHFFFAOYSA-N 0 3 328.394 1.140 20 5 EDBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCN4C[C@H](O)C[C@H]4C3)co2)cc1 ZINC000594025491 449330022 /nfs/dbraw/zinc/33/00/22/449330022.db2.gz NTRHBVUQTOVAGY-JKSUJKDBSA-N 0 3 344.371 1.501 20 5 EDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594228822 449401043 /nfs/dbraw/zinc/40/10/43/449401043.db2.gz FPVNFBNMRQVLFL-UONOGXRCSA-N 0 3 336.396 1.107 20 5 EDBDHN O=c1[n-]ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000596166093 449392308 /nfs/dbraw/zinc/39/23/08/449392308.db2.gz PLHLNOGZZIZNRF-KGLIPLIRSA-N 0 3 336.392 1.875 20 5 EDBDHN CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000600623902 449464874 /nfs/dbraw/zinc/46/48/74/449464874.db2.gz STDAVFIQZBRSCM-IXDOHACOSA-N 0 3 347.415 1.895 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN([C@@H]4CCOC4)CC3)nc2c1 ZINC000594615265 449595360 /nfs/dbraw/zinc/59/53/60/449595360.db2.gz QUTVHZNMJYYNBM-CQSZACIVSA-N 0 3 345.403 1.814 20 5 EDBDHN Cn1cc(CN2CCC(CCN3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602451839 449598053 /nfs/dbraw/zinc/59/80/53/449598053.db2.gz AOTAKDRYCPTAGC-UHFFFAOYSA-N 0 3 337.424 1.263 20 5 EDBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000594761533 449676073 /nfs/dbraw/zinc/67/60/73/449676073.db2.gz ZHPLSPJOYFJFNO-LBPRGKRZSA-N 0 3 340.405 1.096 20 5 EDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000594765584 449679696 /nfs/dbraw/zinc/67/96/96/449679696.db2.gz XBEYXFHDEAGBQL-NWDGAFQWSA-N 0 3 340.405 1.095 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000598897556 449635839 /nfs/dbraw/zinc/63/58/39/449635839.db2.gz GSVWNBQQPZGEHW-AAEUAGOBSA-N 0 3 349.391 1.315 20 5 EDBDHN CN1CCN(CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600995558 449641399 /nfs/dbraw/zinc/64/13/99/449641399.db2.gz IQEIYKSVHCHDFL-UHFFFAOYSA-N 0 3 338.383 1.491 20 5 EDBDHN CN1CC[C@@]2(CCN(c3c([N+](=O)[O-])c(C(F)(F)F)nn3C)C2)C1 ZINC000601167871 449730564 /nfs/dbraw/zinc/73/05/64/449730564.db2.gz HMWHROKRCPUJEO-GFCCVEGCSA-N 0 3 333.314 1.879 20 5 EDBDHN CN1CCOC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599004654 449691898 /nfs/dbraw/zinc/69/18/98/449691898.db2.gz WBKOOWBSYNGZJP-LBPRGKRZSA-N 0 3 331.319 1.616 20 5 EDBDHN C[C@@H](C[C@H]1CCOC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576210 449781754 /nfs/dbraw/zinc/78/17/54/449781754.db2.gz WBPMEPKRGJKTGX-QWHCGFSZSA-N 0 3 342.417 1.773 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+]C23CCC3)c1C ZINC000599107902 449740071 /nfs/dbraw/zinc/74/00/71/449740071.db2.gz XHBHGFFKKJBBHI-CYBMUJFWSA-N 0 3 339.417 1.775 20 5 EDBDHN CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000601192294 449743483 /nfs/dbraw/zinc/74/34/83/449743483.db2.gz UMRYVFRPYJETNG-GJZGRUSLSA-N 0 3 349.435 1.979 20 5 EDBDHN Cc1cc(S(=O)(=O)N(C)CC2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000601338053 449847060 /nfs/dbraw/zinc/84/70/60/449847060.db2.gz IJWKWAONRMRHJI-UHFFFAOYSA-N 0 3 347.462 1.927 20 5 EDBDHN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1CC(C)(C)O ZINC000614832294 449838749 /nfs/dbraw/zinc/83/87/49/449838749.db2.gz KYAPUDHRDPWFBY-GFCCVEGCSA-N 0 3 345.403 1.819 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000595251613 449976563 /nfs/dbraw/zinc/97/65/63/449976563.db2.gz PFXUCVFRADGPCF-UHFFFAOYSA-N 0 3 332.360 1.100 20 5 EDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCN(c2ccncc2)CC1 ZINC000603081842 450054768 /nfs/dbraw/zinc/05/47/68/450054768.db2.gz DJYMQYFYMMAHMH-UHFFFAOYSA-N 0 3 344.375 1.315 20 5 EDBDHN O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461887 450158212 /nfs/dbraw/zinc/15/82/12/450158212.db2.gz QKHSUJXOOVNXIA-CFVMTHIKSA-N 0 3 347.419 1.876 20 5 EDBDHN CS[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000595433846 450140190 /nfs/dbraw/zinc/14/01/90/450140190.db2.gz VFQCGXOCNZSZHA-WCQYABFASA-N 0 3 326.422 1.903 20 5 EDBDHN CCN(CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832772 450241112 /nfs/dbraw/zinc/24/11/12/450241112.db2.gz JLSYAKSWARAMOK-UHFFFAOYSA-N 0 3 347.375 1.579 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[C@H](C)N1C ZINC000619581414 450512026 /nfs/dbraw/zinc/51/20/26/450512026.db2.gz DCZBJZQZBWCAAO-HUBLWGQQSA-N 0 3 348.403 1.312 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358701649 518189788 /nfs/dbraw/zinc/18/97/88/518189788.db2.gz HMYCLRYRQZQHLZ-LRDDRELGSA-N 0 3 336.392 1.330 20 5 EDBDHN CCN(Cc1ccc2c(c1)OCO2)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174664885 528800999 /nfs/dbraw/zinc/80/09/99/528800999.db2.gz SLDSFRCLIMTABS-CQSZACIVSA-N 0 3 348.359 1.403 20 5 EDBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270489158 536769295 /nfs/dbraw/zinc/76/92/95/536769295.db2.gz UFRVSNPBKHQMKC-DYVFJYSZSA-N 0 3 349.387 1.905 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000270508313 536949872 /nfs/dbraw/zinc/94/98/72/536949872.db2.gz QLVUHQMDHXFBEQ-KGLIPLIRSA-N 0 3 339.417 1.721 20 5 EDBDHN CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CN2CCC1CC2 ZINC000732159096 578694937 /nfs/dbraw/zinc/69/49/37/578694937.db2.gz FIPRZHBUWBYWAL-MRXNPFEDSA-N 0 3 343.387 1.497 20 5 EDBDHN CN(Cn1cc(Br)c([N+](=O)[O-])n1)[C@@H]1CCN(C2CC2)C1 ZINC000732188293 578695985 /nfs/dbraw/zinc/69/59/85/578695985.db2.gz HKVVRALBDRKOFT-SNVBAGLBSA-N 0 3 344.213 1.680 20 5 EDBDHN CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCN(C2CC2)C1 ZINC000732188509 578696244 /nfs/dbraw/zinc/69/62/44/578696244.db2.gz JYNAOWWRPYXEKZ-MRXNPFEDSA-N 0 3 342.403 1.979 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1F ZINC000758355718 579980689 /nfs/dbraw/zinc/98/06/89/579980689.db2.gz AEPGEULALOIQQV-RYUDHWBXSA-N 0 3 338.339 1.719 20 5 EDBDHN CCNS(=O)(=O)CCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000772976490 580324590 /nfs/dbraw/zinc/32/45/90/580324590.db2.gz GSXGRYBFODDQAA-AWEZNQCLSA-N 0 3 341.433 1.445 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(CN3CCOCC3)CC2)cc1 ZINC000776578707 580421971 /nfs/dbraw/zinc/42/19/71/580421971.db2.gz IKOYGBOHRNHLCT-SFHVURJKSA-N 0 3 349.431 1.672 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCN(CC3CCOCC3)CC2)cc1 ZINC000776585660 580422435 /nfs/dbraw/zinc/42/24/35/580422435.db2.gz ZCVULDMUDAGFGP-GOSISDBHSA-N 0 3 349.431 1.672 20 5 EDBDHN C[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)NCCF ZINC000800498782 581054064 /nfs/dbraw/zinc/05/40/64/581054064.db2.gz QODBYKNUAZCAQM-LBPRGKRZSA-N 0 3 338.383 1.627 20 5 EDBDHN COc1ccc(CNC(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000892211681 590865572 /nfs/dbraw/zinc/86/55/72/590865572.db2.gz LBDYLTZEXRWARW-GXTWGEPZSA-N 0 3 334.376 1.449 20 5 EDBDHN C[C@H](NC(=O)C1CN(C2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000895782939 591274474 /nfs/dbraw/zinc/27/44/74/591274474.db2.gz NJULEXOCEJIYLY-LBPRGKRZSA-N 0 3 333.388 1.883 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1C ZINC000895991117 591315711 /nfs/dbraw/zinc/31/57/11/591315711.db2.gz NGRZDSUIJNDPST-ZIAGYGMSSA-N 0 3 333.388 1.805 20 5 EDBDHN Cc1nn(C)c(C(=O)N2CCN(c3ccncc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000895274282 591695739 /nfs/dbraw/zinc/69/57/39/591695739.db2.gz HUPBVCPSZVFZPH-LLVKDONJSA-N 0 3 344.375 1.383 20 5 EDBDHN COCC[C@@H]1CNCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000900438945 592018400 /nfs/dbraw/zinc/01/84/00/592018400.db2.gz KELGNFZASRUTPB-GFCCVEGCSA-N 0 3 337.376 1.505 20 5 EDBDHN COC[C@@H]1CNCCN1c1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000900451904 592021522 /nfs/dbraw/zinc/02/15/22/592021522.db2.gz ZWZBUKDGFAIMAA-NSHDSACASA-N 0 3 332.360 1.576 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000908278378 592422480 /nfs/dbraw/zinc/42/24/80/592422480.db2.gz HADSIPYZBWVRPG-IUODEOHRSA-N 0 3 335.360 1.795 20 5 EDBDHN CC(C)(C)OC(=O)N1C[C@@H](NCC[N+](=O)[O-])CC2(CCOCC2)C1 ZINC000905509799 592548530 /nfs/dbraw/zinc/54/85/30/592548530.db2.gz RBWWGDWXDLJOHW-ZDUSSCGKSA-N 0 3 343.424 1.659 20 5 EDBDHN CN(C)CCCS(=O)(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000867018550 593381284 /nfs/dbraw/zinc/38/12/84/593381284.db2.gz SOVZQVGRKWDRPN-UHFFFAOYSA-N 0 3 327.406 1.234 20 5 EDBDHN COc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813100551 593517585 /nfs/dbraw/zinc/51/75/85/593517585.db2.gz UESKTUGWLHFKEB-SNVBAGLBSA-N 0 3 325.317 1.875 20 5 EDBDHN CC(COC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)[N+](=O)[O-] ZINC000813106324 593517813 /nfs/dbraw/zinc/51/78/13/593517813.db2.gz ATNRMJDKRIVQDY-SSDOTTSWSA-N 0 3 345.237 1.503 20 5 EDBDHN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109131 593518210 /nfs/dbraw/zinc/51/82/10/593518210.db2.gz FXDUSJGYZBDTJI-SSDOTTSWSA-N 0 3 341.711 1.146 20 5 EDBDHN CN(C[C@@H]1CCCN1C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000817373847 593597988 /nfs/dbraw/zinc/59/79/88/593597988.db2.gz OWHUNRUHBASNOL-AWEZNQCLSA-N 0 3 330.392 1.837 20 5 EDBDHN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000816091080 593673320 /nfs/dbraw/zinc/67/33/20/593673320.db2.gz JWSHNWLPHJCEPV-DOMZBBRYSA-N 0 3 338.360 1.415 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000829216447 594582762 /nfs/dbraw/zinc/58/27/62/594582762.db2.gz YFOPXKQKYLQVMD-GFCCVEGCSA-N 0 3 344.375 1.232 20 5 EDBDHN CC(COC(=O)c1cc(F)c(N2CCOCC2)c(F)c1)[N+](=O)[O-] ZINC000835457673 594830158 /nfs/dbraw/zinc/83/01/58/594830158.db2.gz YNMHEETZPBTSKY-SECBINFHSA-N 0 3 330.287 1.623 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000842723427 595181234 /nfs/dbraw/zinc/18/12/34/595181234.db2.gz CYHLTLJZDOJTMR-JTQLQIEISA-N 0 3 335.813 1.818 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C2CC3(CC([NH3+])C3)C2)c1[N+](=O)[O-] ZINC000842799237 595203621 /nfs/dbraw/zinc/20/36/21/595203621.db2.gz YDSYEFIZDSRMRF-UHFFFAOYSA-N 0 3 339.417 1.760 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842916759 595234170 /nfs/dbraw/zinc/23/41/70/595234170.db2.gz ZZYZLQQQYDAYDB-IUCAKERBSA-N 0 3 335.813 1.961 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CO)Cc2ccc(O)cc2)c1 ZINC000843069723 595279868 /nfs/dbraw/zinc/27/98/68/595279868.db2.gz QSFLOCUJSAEVSI-WMLDXEAASA-N 0 3 332.356 1.527 20 5 EDBDHN Cc1ccc([C@@H](O)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000843108747 595288690 /nfs/dbraw/zinc/28/86/90/595288690.db2.gz ROHVWWBHSZPLEV-AEFFLSMTSA-N 0 3 346.383 1.966 20 5 EDBDHN CN1CCC(ONC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000846651746 595293753 /nfs/dbraw/zinc/29/37/53/595293753.db2.gz UXQRIWAHDRNECQ-UHFFFAOYSA-N 0 3 345.359 1.536 20 5 EDBDHN O=[N+]([O-])c1ccccc1NCCc1noc(C[C@H]2CNCCO2)n1 ZINC000843184710 595300996 /nfs/dbraw/zinc/30/09/96/595300996.db2.gz IDZJJZWSJSKHCY-NSHDSACASA-N 0 3 333.348 1.163 20 5 EDBDHN C[NH+](C)C1(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848593214 595412496 /nfs/dbraw/zinc/41/24/96/595412496.db2.gz BGWYVADIRZOGEV-UHFFFAOYSA-N 0 3 329.303 1.777 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000117102283 595531778 /nfs/dbraw/zinc/53/17/78/595531778.db2.gz AUJGDUFDKWCYDR-AWEZNQCLSA-N 0 3 330.344 1.609 20 5 EDBDHN O=C1OC[C@]2(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])COCCN12 ZINC000866520426 596238854 /nfs/dbraw/zinc/23/88/54/596238854.db2.gz BCQGQHPNDOUQGO-BBRMVZONSA-N 0 3 333.344 1.393 20 5 EDBDHN CC[C@H](CN(C)C)OC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000870550820 596279998 /nfs/dbraw/zinc/27/99/98/596279998.db2.gz JPEVCFXYOQBQRA-LLVKDONJSA-N 0 3 326.349 1.866 20 5 EDBDHN COCCN(CC1CCN(C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000869766852 596623471 /nfs/dbraw/zinc/62/34/71/596623471.db2.gz YVHFSQOYKGYJCL-UHFFFAOYSA-N 0 3 349.431 1.954 20 5 EDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000874842093 597194607 /nfs/dbraw/zinc/19/46/07/597194607.db2.gz GGSYZYFBZYWJEZ-LSDHHAIUSA-N 0 3 343.387 1.640 20 5 EDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000876470462 597211875 /nfs/dbraw/zinc/21/18/75/597211875.db2.gz UPGKWVCBTYCDGR-MRXNPFEDSA-N 0 3 337.376 1.014 20 5 EDBDHN Cc1cncc([C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000879750795 597710657 /nfs/dbraw/zinc/71/06/57/597710657.db2.gz WDTGKRALGZVUPA-HOTGVXAUSA-N 0 3 331.376 1.693 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585280 597971377 /nfs/dbraw/zinc/97/13/77/597971377.db2.gz GULJQKLXINDCGO-CQSZACIVSA-N 0 3 336.388 1.837 20 5 EDBDHN Cc1cc(NCCN(C)CCOCCO)c(Cl)cc1[N+](=O)[O-] ZINC000882952604 598114381 /nfs/dbraw/zinc/11/43/81/598114381.db2.gz ZRESJOSICINYGC-UHFFFAOYSA-N 0 3 331.800 1.909 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCN(C)C[C@H]2C1 ZINC000916666621 696716348 /nfs/dbraw/zinc/71/63/48/696716348.db2.gz VQZJVRHMLUWLBP-OLZOCXBDSA-N 0 3 339.417 1.475 20 5 EDBDHN O=C(NC1CCN(Cc2cc(C3CC3)no2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002787137 709393279 /nfs/dbraw/zinc/39/32/79/709393279.db2.gz GCSWGNOTAOXHHV-UKRRQHHQSA-N 0 3 334.376 1.298 20 5 EDBDHN Cc1ncc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(=O)[n-]1 ZINC000447599574 282156178 /nfs/dbraw/zinc/15/61/78/282156178.db2.gz KKUDJDBHKNJADI-QWHCGFSZSA-N 0 3 332.364 1.869 20 5 EDBDHN CN(C)[C@@H]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000068350562 282183819 /nfs/dbraw/zinc/18/38/19/282183819.db2.gz GDXPKTXBLHUUTN-CYBMUJFWSA-N 0 3 335.360 1.339 20 5 EDBDHN NC(=O)c1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000560001182 306260357 /nfs/dbraw/zinc/26/03/57/306260357.db2.gz FBLSAOVBORWNSV-TZMCWYRMSA-N 0 3 344.375 1.559 20 5 EDBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000066726088 215073398 /nfs/dbraw/zinc/07/33/98/215073398.db2.gz QMEXEOYTHFQBKP-UHFFFAOYSA-N 0 3 345.403 1.902 20 5 EDBDHN CNC(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068372041 215303425 /nfs/dbraw/zinc/30/34/25/215303425.db2.gz HBEKKVXLXNMQGC-UHFFFAOYSA-N 0 3 334.376 1.381 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C)C2)cc1OC ZINC000104189143 219358260 /nfs/dbraw/zinc/35/82/60/219358260.db2.gz FNUQCAWBXVIICH-LLVKDONJSA-N 0 3 337.376 1.684 20 5 EDBDHN NS(=O)(=O)c1ccc(CCNCc2csc([N+](=O)[O-])c2)cc1 ZINC000063201921 138167201 /nfs/dbraw/zinc/16/72/01/138167201.db2.gz DFGPRBWQKVUWMR-UHFFFAOYSA-N 0 3 341.414 1.636 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCCCCC1 ZINC000077850457 138255660 /nfs/dbraw/zinc/25/56/60/138255660.db2.gz HKFFAMGLOZQAEN-UHFFFAOYSA-N 0 3 348.403 1.834 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000124823185 138329916 /nfs/dbraw/zinc/32/99/16/138329916.db2.gz ORFJLPSPKADNQC-ZDUSSCGKSA-N 0 3 334.420 1.517 20 5 EDBDHN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCCn1cc([N+](=O)[O-])cn1 ZINC000185952893 283312363 /nfs/dbraw/zinc/31/23/63/283312363.db2.gz OMQCRMRGJKYCHL-CYBMUJFWSA-N 0 3 337.767 1.131 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2COc3ccccc3C2)c1 ZINC000564845666 306366958 /nfs/dbraw/zinc/36/69/58/306366958.db2.gz VVTGMVGLGRVIRA-GDBMZVCRSA-N 0 3 344.367 1.928 20 5 EDBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)COc2cccc3[nH]ccc32)c1 ZINC000565887070 306393734 /nfs/dbraw/zinc/39/37/34/306393734.db2.gz FHSWHEXSGFPFFN-CYBMUJFWSA-N 0 3 345.359 1.302 20 5 EDBDHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451404458 305344002 /nfs/dbraw/zinc/34/40/02/305344002.db2.gz GKXLRLKGCYKUTQ-JFGNBEQYSA-N 0 3 336.314 1.815 20 5 EDBDHN CCOC1CC(CNCc2cccc([N+](=O)[O-])c2)(N2CCOCC2)C1 ZINC000195459015 139017018 /nfs/dbraw/zinc/01/70/18/139017018.db2.gz CCVZBGMRDUJARW-UHFFFAOYSA-N 0 3 349.431 1.954 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261687428 139217512 /nfs/dbraw/zinc/21/75/12/139217512.db2.gz ISYPYEFQMNCLGL-WDEREUQCSA-N 0 3 343.405 1.270 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc([N+](=O)[O-])c1F ZINC000154313730 224236485 /nfs/dbraw/zinc/23/64/85/224236485.db2.gz MEXAYPKUAQWXIV-NSHDSACASA-N 0 3 345.396 1.757 20 5 EDBDHN C[C@]1(CO)CCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331659703 141063536 /nfs/dbraw/zinc/06/35/36/141063536.db2.gz OAMCXSXPUUJRJY-NVXWUHKLSA-N 0 3 333.388 1.625 20 5 EDBDHN CN(C)[C@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332144661 141130442 /nfs/dbraw/zinc/13/04/42/141130442.db2.gz MZSRUDCVCKPTJY-LBPRGKRZSA-N 0 3 335.360 1.071 20 5 EDBDHN O=C(CN1CCCC1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000343660748 142870684 /nfs/dbraw/zinc/87/06/84/142870684.db2.gz FYZGQKSNWOLDMY-UHFFFAOYSA-N 0 3 332.404 1.335 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000345873690 143142031 /nfs/dbraw/zinc/14/20/31/143142031.db2.gz IAWUKACGZKPNGE-QWHCGFSZSA-N 0 3 337.424 1.869 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346082502 143165664 /nfs/dbraw/zinc/16/56/64/143165664.db2.gz GRCMQXPTPCXXMW-UHFFFAOYSA-N 0 3 329.784 1.898 20 5 EDBDHN CCN(CCN1CCCCCC1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000346312375 143190506 /nfs/dbraw/zinc/19/05/06/143190506.db2.gz YQYVBYDWOGQHFD-UHFFFAOYSA-N 0 3 337.424 1.824 20 5 EDBDHN O=C([C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)N1CCNCC1 ZINC000347197956 143293781 /nfs/dbraw/zinc/29/37/81/143293781.db2.gz IIRUBDGFULVFMC-HNNXBMFYSA-N 0 3 332.404 1.239 20 5 EDBDHN CN(C)CC(C)(C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000416506134 304326239 /nfs/dbraw/zinc/32/62/39/304326239.db2.gz FIIDDAULLDVERP-UHFFFAOYSA-N 0 3 329.422 1.397 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000104747886 292171943 /nfs/dbraw/zinc/17/19/43/292171943.db2.gz SQRMTYLYJJKSGV-GFCCVEGCSA-N 0 3 327.406 1.475 20 5 EDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000341066213 149060756 /nfs/dbraw/zinc/06/07/56/149060756.db2.gz KFZHOQRSARUMNA-BETUJISGSA-N 0 3 336.392 1.136 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@](C)(CO)C(C)C)c([N+](=O)[O-])c1 ZINC000352908935 149212071 /nfs/dbraw/zinc/21/20/71/149212071.db2.gz IRFFCYDGEKSSOA-MRXNPFEDSA-N 0 3 339.392 1.929 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000353207624 149324279 /nfs/dbraw/zinc/32/42/79/149324279.db2.gz JFALJAGKNQSRIX-DGCLKSJQSA-N 0 3 338.360 1.397 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357426856 151029867 /nfs/dbraw/zinc/02/98/67/151029867.db2.gz ZWVDMNUDCPTGQV-OCCSQVGLSA-N 0 3 348.403 1.314 20 5 EDBDHN CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000357913587 151193456 /nfs/dbraw/zinc/19/34/56/151193456.db2.gz ONKYXKNXWBFBPK-UONOGXRCSA-N 0 3 341.408 1.780 20 5 EDBDHN Cc1sc(C(=O)N2CCCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000360572473 152103936 /nfs/dbraw/zinc/10/39/36/152103936.db2.gz KYMAGSDTOAOKIL-UHFFFAOYSA-N 0 3 340.449 1.674 20 5 EDBDHN C[C@]1([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000364354727 153215535 /nfs/dbraw/zinc/21/55/35/153215535.db2.gz AHMADEBGYJZZQN-MLGOLLRUSA-N 0 3 332.360 1.405 20 5 EDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cnc2c(c1)CNCC2 ZINC000367383430 154097707 /nfs/dbraw/zinc/09/77/07/154097707.db2.gz FPBFJKGYFDTOHF-UHFFFAOYSA-N 0 3 346.318 1.792 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000367454838 154128574 /nfs/dbraw/zinc/12/85/74/154128574.db2.gz XMFXEDJAPCAAHD-AWEZNQCLSA-N 0 3 346.431 1.835 20 5 EDBDHN CC(C)N1CCC[C@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000369494394 155058805 /nfs/dbraw/zinc/05/88/05/155058805.db2.gz QANACBFNDMAPEL-AWEZNQCLSA-N 0 3 335.408 1.828 20 5 EDBDHN CNC(=O)c1ccc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000053562027 287225238 /nfs/dbraw/zinc/22/52/38/287225238.db2.gz IBSANRPHQHDXSL-ZDUSSCGKSA-N 0 3 336.392 1.213 20 5 EDBDHN CCN1CCN(CCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079975690 287304561 /nfs/dbraw/zinc/30/45/61/287304561.db2.gz ZIAQGYRBXLNDAB-UHFFFAOYSA-N 0 3 348.447 1.974 20 5 EDBDHN Cc1c(CC(=O)N(CCN(C)C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000120872523 287365388 /nfs/dbraw/zinc/36/53/88/287365388.db2.gz PBFZWQHAYWUYFL-UHFFFAOYSA-N 0 3 336.436 1.398 20 5 EDBDHN CC(C)COC[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122271440 287378824 /nfs/dbraw/zinc/37/88/24/287378824.db2.gz DQROFYMMYIVOTN-ZFWWWQNUSA-N 0 3 338.408 1.510 20 5 EDBDHN CN(C)CCOc1ccccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000122942825 222186605 /nfs/dbraw/zinc/18/66/05/222186605.db2.gz BLNMYATWHLAMHA-UHFFFAOYSA-N 0 3 347.375 1.048 20 5 EDBDHN Cn1cc(CNCC2(CO)COC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000123015944 222200475 /nfs/dbraw/zinc/20/04/75/222200475.db2.gz PVEFHMFQBSBMQP-UHFFFAOYSA-N 0 3 332.360 1.094 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C[C@@H]1CC=CCC1 ZINC000123265259 222244936 /nfs/dbraw/zinc/24/49/36/222244936.db2.gz WEMMZZXGZWDJGG-CYBMUJFWSA-N 0 3 339.417 1.819 20 5 EDBDHN COCCO[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275508086 268353157 /nfs/dbraw/zinc/35/31/57/268353157.db2.gz HQZDTIJSAVDULG-ZIAGYGMSSA-N 0 3 340.376 1.072 20 5 EDBDHN COC(=O)CC1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCC1 ZINC000280479054 268962733 /nfs/dbraw/zinc/96/27/33/268962733.db2.gz PLYMDABSFWGOAZ-UHFFFAOYSA-N 0 3 335.360 1.659 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000044669944 272911086 /nfs/dbraw/zinc/91/10/86/272911086.db2.gz GNRDRCKLZBVTIG-INIZCTEOSA-N 0 3 343.387 1.745 20 5 EDBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285303968 274506384 /nfs/dbraw/zinc/50/63/84/274506384.db2.gz DMASTUHPLCCBNF-CQSZACIVSA-N 0 3 329.360 1.885 20 5 EDBDHN O=C1[C@@H](N2CCCN(C3CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000172543336 275027602 /nfs/dbraw/zinc/02/76/02/275027602.db2.gz ILOPIAJNUWHMBO-KRWDZBQOSA-N 0 3 344.415 1.870 20 5 EDBDHN CCOC(=O)N1CCC([C@@H](C)NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000495492880 276282356 /nfs/dbraw/zinc/28/23/56/276282356.db2.gz RVFQMGTXZDWQGW-LLVKDONJSA-N 0 3 339.396 1.675 20 5 EDBDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000362016962 276341763 /nfs/dbraw/zinc/34/17/63/276341763.db2.gz BCWLVZXNSHYSGX-NILFDRSVSA-N 0 3 337.376 1.705 20 5 EDBDHN CN1CCN(C[C@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])C2)CC1 ZINC000367164326 276927826 /nfs/dbraw/zinc/92/78/26/276927826.db2.gz HSUVLQKJYCXDHB-CQSZACIVSA-N 0 3 333.436 1.641 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CCNC[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000420257589 277150753 /nfs/dbraw/zinc/15/07/53/277150753.db2.gz FCCKQXPSSSWKJQ-AWEZNQCLSA-N 0 3 326.328 1.223 20 5 EDBDHN COC(=O)CC[C@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000288797484 288569535 /nfs/dbraw/zinc/56/95/35/288569535.db2.gz RIDZTMCVJWRRFH-AWEZNQCLSA-N 0 3 337.376 1.612 20 5 EDBDHN CCNC(=O)[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000293167081 289539318 /nfs/dbraw/zinc/53/93/18/289539318.db2.gz GCFWAXZLUVLHQZ-HIFRSBDPSA-N 0 3 339.392 1.085 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000173239996 302041814 /nfs/dbraw/zinc/04/18/14/302041814.db2.gz LLIUOFVODCDTNQ-STQMWFEESA-N 0 3 341.433 1.864 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(C)c2ccncc21 ZINC000176974638 302044026 /nfs/dbraw/zinc/04/40/26/302044026.db2.gz XVDZPUDWFHCYKR-UHFFFAOYSA-N 0 3 348.384 1.943 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261863899 302048061 /nfs/dbraw/zinc/04/80/61/302048061.db2.gz GJDDAEBYUXRSPJ-NWDGAFQWSA-N 0 3 327.406 1.570 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000361858026 303044419 /nfs/dbraw/zinc/04/44/19/303044419.db2.gz NRECMRKGMFOPMM-CYBMUJFWSA-N 0 3 341.371 1.953 20 5 EDBDHN C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295531207 303230725 /nfs/dbraw/zinc/23/07/25/303230725.db2.gz JOJIGPALHXZUPG-ZDUSSCGKSA-N 0 3 332.404 1.949 20 5 EDBDHN CC1(C)[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCO[C@@H]21 ZINC000296049860 303292265 /nfs/dbraw/zinc/29/22/65/303292265.db2.gz FSFGGRRTAQSLBQ-XKQJLSEDSA-N 0 3 345.399 1.887 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn(CCN(C)C)c2)c1 ZINC000302101024 303712572 /nfs/dbraw/zinc/71/25/72/303712572.db2.gz PWIYSGONQISZGV-UHFFFAOYSA-N 0 3 333.348 1.883 20 5 EDBDHN CC1CCN(C[C@H](O)CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000304310073 303752434 /nfs/dbraw/zinc/75/24/34/303752434.db2.gz KCCJSINRLWIORM-MRXNPFEDSA-N 0 3 335.404 1.346 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H](N(C)C)C2)c1F ZINC000411933626 303938241 /nfs/dbraw/zinc/93/82/41/303938241.db2.gz DNLOYKWMXQJXGR-NSHDSACASA-N 0 3 339.367 1.838 20 5 EDBDHN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CCN1C[C@H](C)O ZINC000430231210 305048019 /nfs/dbraw/zinc/04/80/19/305048019.db2.gz XMZGNVLFHUYBGX-ZFWWWQNUSA-N 0 3 337.420 1.880 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(NCC(=O)NCCN2CCCCCC2)n1 ZINC000431492533 305078084 /nfs/dbraw/zinc/07/80/84/305078084.db2.gz DKWSFEGFTXBPQL-UHFFFAOYSA-N 0 3 335.408 1.702 20 5 EDBDHN COc1cc(C(=O)N(C)C[C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1F ZINC000448915042 305303969 /nfs/dbraw/zinc/30/39/69/305303969.db2.gz ZHUUTRMVROSSNZ-SNVBAGLBSA-N 0 3 325.340 1.766 20 5 EDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000449099665 305306611 /nfs/dbraw/zinc/30/66/11/305306611.db2.gz OHVWRLRMBAZQRR-TZMCWYRMSA-N 0 3 341.433 1.539 20 5 EDBDHN CC[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000449173709 305308730 /nfs/dbraw/zinc/30/87/30/305308730.db2.gz GLWBNLHVEWMXQP-DZGCQCFKSA-N 0 3 335.404 1.753 20 5 EDBDHN CO[C@H]1C[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451512428 305350413 /nfs/dbraw/zinc/35/04/13/305350413.db2.gz XNNKHAOREMUYAD-GJZGRUSLSA-N 0 3 333.388 1.887 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000452352327 305391865 /nfs/dbraw/zinc/39/18/65/305391865.db2.gz RTYGXYFNAUHTDU-AWEZNQCLSA-N 0 3 347.371 1.918 20 5 EDBDHN C[C@@H](C(=O)NC[C@@H](O)CN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519740093 305773968 /nfs/dbraw/zinc/77/39/68/305773968.db2.gz OLTCWWLZWRQWJA-RHSMWYFYSA-N 0 3 349.431 1.907 20 5 EDBDHN COc1ccc(CC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000543754769 306069381 /nfs/dbraw/zinc/06/93/81/306069381.db2.gz GSEUWMRZEGBWJG-LBPRGKRZSA-N 0 3 333.388 1.913 20 5 EDBDHN CCc1ccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N(C)C)cc1 ZINC000548735651 306136345 /nfs/dbraw/zinc/13/63/45/306136345.db2.gz FMVHSIAKAYNQCJ-CQSZACIVSA-N 0 3 331.376 1.913 20 5 EDBDHN CCN1CCC(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000044019112 440816985 /nfs/dbraw/zinc/81/69/85/440816985.db2.gz RMJGPOGDTCXWNO-LBPRGKRZSA-N 0 3 348.403 1.314 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000046036541 441072973 /nfs/dbraw/zinc/07/29/73/441072973.db2.gz IYCJKDSZAJMCAF-UONOGXRCSA-N 0 3 339.417 1.808 20 5 EDBDHN C[C@@H]1CCCN(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000047146546 441158859 /nfs/dbraw/zinc/15/88/59/441158859.db2.gz YGWUFWFVNRWSQS-LLVKDONJSA-N 0 3 331.376 1.933 20 5 EDBDHN CCN(CC)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000048246182 441277806 /nfs/dbraw/zinc/27/78/06/441277806.db2.gz YSTKDNIAIMYJQM-CQSZACIVSA-N 0 3 346.391 1.386 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108617966 441468838 /nfs/dbraw/zinc/46/88/38/441468838.db2.gz VXCTYPRQCKYTIU-AWEZNQCLSA-N 0 3 346.387 1.442 20 5 EDBDHN CN(CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000066924096 441588839 /nfs/dbraw/zinc/58/88/39/441588839.db2.gz GWXZMQGVZNAWKA-UHFFFAOYSA-N 0 3 329.360 1.605 20 5 EDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cncn2)cc1 ZINC000090538611 441633791 /nfs/dbraw/zinc/63/37/91/441633791.db2.gz MZNZYSZXHDCPCI-GFCCVEGCSA-N 0 3 327.348 1.723 20 5 EDBDHN COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000041966703 441689037 /nfs/dbraw/zinc/68/90/37/441689037.db2.gz QTAXXXYHHYYNEC-UHFFFAOYSA-N 0 3 329.784 1.946 20 5 EDBDHN CCN1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069385976 441925597 /nfs/dbraw/zinc/92/55/97/441925597.db2.gz KEEFJETWXIUIQV-UHFFFAOYSA-N 0 3 336.392 1.757 20 5 EDBDHN C[C@@H](CNC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000150734523 441939646 /nfs/dbraw/zinc/93/96/46/441939646.db2.gz URWLFJWXFVZQMC-NSHDSACASA-N 0 3 347.375 1.169 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCCN(C)C2)c1C ZINC000078572649 441945945 /nfs/dbraw/zinc/94/59/45/441945945.db2.gz BEALKKKXWJKPBX-CYBMUJFWSA-N 0 3 341.433 1.832 20 5 EDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000162458039 442095258 /nfs/dbraw/zinc/09/52/58/442095258.db2.gz CMNWGYLTVSTZPN-INIZCTEOSA-N 0 3 332.404 1.333 20 5 EDBDHN CCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000171057346 442305050 /nfs/dbraw/zinc/30/50/50/442305050.db2.gz ASURCEMXNRTSJD-UHFFFAOYSA-N 0 3 334.420 1.974 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000177528689 442353767 /nfs/dbraw/zinc/35/37/67/442353767.db2.gz FLBMTPOBPXADBA-LBPRGKRZSA-N 0 3 334.376 1.394 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000133591241 442425719 /nfs/dbraw/zinc/42/57/19/442425719.db2.gz GCUNWXJZUSOPEO-YPMHNXCESA-N 0 3 346.387 1.066 20 5 EDBDHN CC(C)c1ccc([C@H](N)CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000178874726 442510067 /nfs/dbraw/zinc/51/00/67/442510067.db2.gz VCROEVASRTXTNS-OAHLLOKOSA-N 0 3 331.376 1.731 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)n1 ZINC000191648682 442483712 /nfs/dbraw/zinc/48/37/12/442483712.db2.gz RJMILKQSTJXDPI-OLZOCXBDSA-N 0 3 335.408 1.899 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CO)c1ccccc1 ZINC000182393728 442763511 /nfs/dbraw/zinc/76/35/11/442763511.db2.gz PBSFHXXALNEMOS-LSDHHAIUSA-N 0 3 332.356 1.658 20 5 EDBDHN COCCCN(CCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000188933654 442844811 /nfs/dbraw/zinc/84/48/11/442844811.db2.gz IVXREMKRKIWMMO-UHFFFAOYSA-N 0 3 348.403 1.826 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184311221 443011303 /nfs/dbraw/zinc/01/13/03/443011303.db2.gz ZYOBVNUINOGNOC-GFCCVEGCSA-N 0 3 335.408 1.054 20 5 EDBDHN COc1ccc(C)cc1[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266457379 443132987 /nfs/dbraw/zinc/13/29/87/443132987.db2.gz PLYYEGNEFFEUJE-TZMCWYRMSA-N 0 3 334.376 1.820 20 5 EDBDHN C[C@H](NC1CCN(CC(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268825994 443120507 /nfs/dbraw/zinc/12/05/07/443120507.db2.gz UDSMPIZLVBMSJD-ZDUSSCGKSA-N 0 3 334.420 1.798 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(O)(c3ccccc3)CC2)c1 ZINC000185503203 443209940 /nfs/dbraw/zinc/20/99/40/443209940.db2.gz XRWYZUNYXIVCRR-INIZCTEOSA-N 0 3 346.387 1.136 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCNC(C)(C)C2)c1F ZINC000413545590 319275090 /nfs/dbraw/zinc/27/50/90/319275090.db2.gz DEHHHIXFUIMNET-UHFFFAOYSA-N 0 3 325.340 1.495 20 5 EDBDHN COCCN(C)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272484118 443335316 /nfs/dbraw/zinc/33/53/16/443335316.db2.gz HBTCGPCDFAOSDJ-UHFFFAOYSA-N 0 3 331.319 1.381 20 5 EDBDHN C[C@@H]1CN(CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000278601953 443375132 /nfs/dbraw/zinc/37/51/32/443375132.db2.gz QXYZLGAZTZJJTH-GFCCVEGCSA-N 0 3 339.367 1.965 20 5 EDBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272611175 443382503 /nfs/dbraw/zinc/38/25/03/443382503.db2.gz ZKOKRICGAUNIDZ-GFCCVEGCSA-N 0 3 341.433 1.946 20 5 EDBDHN CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCNC1=O ZINC000282485515 443353608 /nfs/dbraw/zinc/35/36/08/443353608.db2.gz VPXYZWYUYFKEAS-CQSZACIVSA-N 0 3 334.376 1.442 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN(CC)CCO)c1 ZINC000282972481 443484490 /nfs/dbraw/zinc/48/44/90/443484490.db2.gz FCYQMOICQJFVHM-UHFFFAOYSA-N 0 3 325.365 1.038 20 5 EDBDHN CN(C)CCN(Cc1cccs1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000267769245 443571113 /nfs/dbraw/zinc/57/11/13/443571113.db2.gz UWXVUBDQGRURSG-UHFFFAOYSA-N 0 3 337.405 1.443 20 5 EDBDHN COc1ccc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000449433185 320190123 /nfs/dbraw/zinc/19/01/23/320190123.db2.gz LCZZPOVSCMZRKA-ZNMIVQPWSA-N 0 3 336.388 1.965 20 5 EDBDHN CN(C)CC1(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000281103788 443820014 /nfs/dbraw/zinc/82/00/14/443820014.db2.gz QLDIMHQFWLAGHA-UHFFFAOYSA-N 0 3 348.359 1.103 20 5 EDBDHN CC(C)(C(=O)N[C@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000298642420 443826723 /nfs/dbraw/zinc/82/67/23/443826723.db2.gz RJKWFZVHQZITCP-HNNXBMFYSA-N 0 3 349.431 1.835 20 5 EDBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)N1CCOCC1 ZINC000284990887 443810892 /nfs/dbraw/zinc/81/08/92/443810892.db2.gz YAAAWBDFVVXIJJ-CZUORRHYSA-N 0 3 333.388 1.522 20 5 EDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c1 ZINC000299050210 443938755 /nfs/dbraw/zinc/93/87/55/443938755.db2.gz GUBJHHLMGJEAFU-UONOGXRCSA-N 0 3 325.390 1.500 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@]1(CO)CCCc2ccccc21 ZINC000281582078 443950036 /nfs/dbraw/zinc/95/00/36/443950036.db2.gz DJULWFDOIPJUOS-SFHVURJKSA-N 0 3 343.383 1.570 20 5 EDBDHN COCCN(C)CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281618011 443961126 /nfs/dbraw/zinc/96/11/26/443961126.db2.gz PPTSNDYHYMJDRU-UHFFFAOYSA-N 0 3 339.392 1.367 20 5 EDBDHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299410248 444038566 /nfs/dbraw/zinc/03/85/66/444038566.db2.gz VXOUKAYWTAIIPR-AWEZNQCLSA-N 0 3 348.403 1.784 20 5 EDBDHN Cn1cc([C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277874322 444057121 /nfs/dbraw/zinc/05/71/21/444057121.db2.gz UZKRBXQHHIKRAM-XIRDDKMYSA-N 0 3 346.387 1.070 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000299700184 444119839 /nfs/dbraw/zinc/11/98/39/444119839.db2.gz OWEONFIOYNQRKA-UHFFFAOYSA-N 0 3 334.376 1.394 20 5 EDBDHN Cc1nn(C)c(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301573653 444180313 /nfs/dbraw/zinc/18/03/13/444180313.db2.gz PEMQIHMTCGJRJK-TXEJJXNPSA-N 0 3 325.413 1.938 20 5 EDBDHN CNC(=O)c1ccc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301724677 444187290 /nfs/dbraw/zinc/18/72/90/444187290.db2.gz OZISIGWSPZQWFB-AWEZNQCLSA-N 0 3 348.403 1.620 20 5 EDBDHN Cc1cc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000303996670 444239398 /nfs/dbraw/zinc/23/93/98/444239398.db2.gz PFTROXWFQZGCNK-OAHLLOKOSA-N 0 3 335.404 1.726 20 5 EDBDHN CC(C)[C@@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(N)=O ZINC000297657136 444314199 /nfs/dbraw/zinc/31/41/99/444314199.db2.gz NQWLLYODHDTLHS-OAHLLOKOSA-N 0 3 340.355 1.552 20 5 EDBDHN CCOC(=O)CC(C)(C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000343875921 444641095 /nfs/dbraw/zinc/64/10/95/444641095.db2.gz LSGBRAKAYQCQIX-UHFFFAOYSA-N 0 3 325.365 1.420 20 5 EDBDHN CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)CCN1CCN(CC)CC1 ZINC000344123052 444793163 /nfs/dbraw/zinc/79/31/63/444793163.db2.gz GJIYUMOZQFAYIM-UHFFFAOYSA-N 0 3 338.456 1.141 20 5 EDBDHN CCCN(CCn1cc([N+](=O)[O-])cn1)CCN1CCN(CC)CC1 ZINC000344123052 444793172 /nfs/dbraw/zinc/79/31/72/444793172.db2.gz GJIYUMOZQFAYIM-UHFFFAOYSA-N 0 3 338.456 1.141 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2Cn2cc(C3CC3)nn2)c1 ZINC000344313473 444895338 /nfs/dbraw/zinc/89/53/38/444895338.db2.gz PNSOABVIYLYMOY-CYBMUJFWSA-N 0 3 331.380 1.425 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2Cn2ccnn2)c1 ZINC000344351080 444912396 /nfs/dbraw/zinc/91/23/96/444912396.db2.gz VHECKKWODHXABS-CABCVRRESA-N 0 3 347.375 1.091 20 5 EDBDHN O=C(CCN1CCC[C@@H]1Cn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000344357933 444916137 /nfs/dbraw/zinc/91/61/37/444916137.db2.gz VEFBBAJCQHAEON-CYBMUJFWSA-N 0 3 344.375 1.680 20 5 EDBDHN COCCn1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000337383110 445057236 /nfs/dbraw/zinc/05/72/36/445057236.db2.gz DUXCLNPSOLQKMX-LSDHHAIUSA-N 0 3 348.407 1.908 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(CC2CCC2)CC1 ZINC000339201516 445085765 /nfs/dbraw/zinc/08/57/65/445085765.db2.gz NVFYNVRHFATBDJ-UHFFFAOYSA-N 0 3 349.435 1.824 20 5 EDBDHN Cn1nccc1[C@H]1[C@@H](NCc2ccc([N+](=O)[O-])cc2)CCC(=O)N1C ZINC000343464720 445227617 /nfs/dbraw/zinc/22/76/17/445227617.db2.gz WGOUKMWZDGRFBB-WMLDXEAASA-N 0 3 343.387 1.780 20 5 EDBDHN CS[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000343591543 445254354 /nfs/dbraw/zinc/25/43/54/445254354.db2.gz ZFXGTIQKUNVUAZ-LSDHHAIUSA-N 0 3 325.434 1.951 20 5 EDBDHN NC(=O)c1ccc(CN[C@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000348519132 445312162 /nfs/dbraw/zinc/31/21/62/445312162.db2.gz ANQZGGJRCITNTI-CMPLNLGQSA-N 0 3 329.303 1.944 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)c1 ZINC000351902347 445364456 /nfs/dbraw/zinc/36/44/56/445364456.db2.gz IOWIHUXADLFYJC-SMDDNHRTSA-N 0 3 341.433 1.782 20 5 EDBDHN Cc1c(CNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000360286708 445677227 /nfs/dbraw/zinc/67/72/27/445677227.db2.gz PDFGZHPVRRQBGT-AWEZNQCLSA-N 0 3 348.403 1.072 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCCN2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000369247477 446020106 /nfs/dbraw/zinc/02/01/06/446020106.db2.gz BRFHGPCGHXYJMJ-ZWKOTPCHSA-N 0 3 349.431 1.895 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365262962 446110432 /nfs/dbraw/zinc/11/04/32/446110432.db2.gz BOHVDSQDWQECAG-UNEWFSDZSA-N 0 3 346.387 1.038 20 5 EDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000366590914 446272498 /nfs/dbraw/zinc/27/24/98/446272498.db2.gz STFUTYAJYAKAOK-CYBMUJFWSA-N 0 3 337.351 1.717 20 5 EDBDHN CC[C@@H](C)N[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000359542161 446282585 /nfs/dbraw/zinc/28/25/85/446282585.db2.gz LPDPFDIKVIIKBV-YPMHNXCESA-N 0 3 349.391 1.938 20 5 EDBDHN CC1(O)C[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366678422 446306132 /nfs/dbraw/zinc/30/61/32/446306132.db2.gz TUIHGWPEXIDYCW-QDSSRZTBSA-N 0 3 336.388 1.712 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CCC[C@@H](C1)N2 ZINC000420350451 446527727 /nfs/dbraw/zinc/52/77/27/446527727.db2.gz SWHDEXKYHPCLTL-TXEJJXNPSA-N 0 3 334.376 1.368 20 5 EDBDHN COCCCN1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000371002752 446567640 /nfs/dbraw/zinc/56/76/40/446567640.db2.gz CQMRRLMHOUWGIE-KRWDZBQOSA-N 0 3 337.420 1.672 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN2CCC1CC2 ZINC000375136649 446602098 /nfs/dbraw/zinc/60/20/98/446602098.db2.gz VNPJWWUMQRPYJU-UHFFFAOYSA-N 0 3 334.376 1.593 20 5 EDBDHN COC(=O)[C@H]1CN(C)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411906631 446714408 /nfs/dbraw/zinc/71/44/08/446714408.db2.gz OFFDYJCYTKJPPF-ZDUSSCGKSA-N 0 3 337.376 1.010 20 5 EDBDHN Nc1nc(NC[C@H]2CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000377114188 446928938 /nfs/dbraw/zinc/92/89/38/446928938.db2.gz LSBGEFCUOIAQSC-CYBMUJFWSA-N 0 3 328.376 1.323 20 5 EDBDHN CC(=O)N[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000420987228 446964449 /nfs/dbraw/zinc/96/44/49/446964449.db2.gz NPJTXJSMLVTKCB-ZDUSSCGKSA-N 0 3 334.376 1.442 20 5 EDBDHN O=[N+]([O-])c1ccc2ccnc(NCCCN3CCC(O)CC3)c2c1 ZINC000413069998 446991170 /nfs/dbraw/zinc/99/11/70/446991170.db2.gz LJARDZZWULDBOF-UHFFFAOYSA-N 0 3 330.388 2.402 20 5 EDBDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000443326311 447034319 /nfs/dbraw/zinc/03/43/19/447034319.db2.gz JYRAAHIYVVOLFZ-RMRKRWHISA-N 0 3 338.404 1.816 20 5 EDBDHN CC(C)C[C@H](Nc1ncc([N+](=O)[O-])cc1F)C(=O)NCCN(C)C ZINC000413211997 447071465 /nfs/dbraw/zinc/07/14/65/447071465.db2.gz QURKRCFPQFXEEN-ZDUSSCGKSA-N 0 3 341.387 1.633 20 5 EDBDHN CCN(CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000444170321 447084479 /nfs/dbraw/zinc/08/44/79/447084479.db2.gz MXFYMBLJVPDYCV-UHFFFAOYSA-N 0 3 345.421 1.612 20 5 EDBDHN CN1CCC[C@@]2(CCN(CCOc3ccccc3[N+](=O)[O-])C2)C1=O ZINC000372558456 447140033 /nfs/dbraw/zinc/14/00/33/447140033.db2.gz TWNMOPHLRNZDGL-KRWDZBQOSA-N 0 3 333.388 1.918 20 5 EDBDHN COc1cc(CN[C@H]2CCc3nnnn3CC2)c([N+](=O)[O-])cc1OC ZINC000421397689 447151015 /nfs/dbraw/zinc/15/10/15/447151015.db2.gz MMSLMOIVYGJQSA-NSHDSACASA-N 0 3 348.363 1.093 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)NC(C)(C)CN(C)C)ccc1[N+](=O)[O-] ZINC000457210649 447543270 /nfs/dbraw/zinc/54/32/70/447543270.db2.gz DOOKZFMWBOHHTE-UHFFFAOYSA-N 0 3 336.392 1.089 20 5 EDBDHN CCCC[C@H](CN)NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420118209 447613512 /nfs/dbraw/zinc/61/35/12/447613512.db2.gz ICJMSNVKCQPXSM-CQSZACIVSA-N 0 3 348.403 1.113 20 5 EDBDHN CC(C)N1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000452092468 447815244 /nfs/dbraw/zinc/81/52/44/447815244.db2.gz DWQICMVYYZEHPG-OAHLLOKOSA-N 0 3 341.433 1.839 20 5 EDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000487270896 447828741 /nfs/dbraw/zinc/82/87/41/447828741.db2.gz KLWOXFAGKHJAMN-RYUDHWBXSA-N 0 3 341.433 1.897 20 5 EDBDHN CC(COC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)[N+](=O)[O-] ZINC000496827829 447947534 /nfs/dbraw/zinc/94/75/34/447947534.db2.gz LWKUWASLPVOUAP-JTQLQIEISA-N 0 3 339.348 1.928 20 5 EDBDHN COc1ccc(CC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000530767261 447953395 /nfs/dbraw/zinc/95/33/95/447953395.db2.gz LTXZMILINYRVEB-AAEUAGOBSA-N 0 3 333.388 1.887 20 5 EDBDHN CC(C)c1n[nH]c(C(=O)N2CCN(c3ncc[nH]3)CC2)c1[N+](=O)[O-] ZINC000551997929 447923720 /nfs/dbraw/zinc/92/37/20/447923720.db2.gz GVISCNXMIXZYIR-UHFFFAOYSA-N 0 3 333.352 1.127 20 5 EDBDHN CC(C)c1n[n-]c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000551997929 447923729 /nfs/dbraw/zinc/92/37/29/447923729.db2.gz GVISCNXMIXZYIR-UHFFFAOYSA-N 0 3 333.352 1.127 20 5 EDBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1C ZINC000525543102 448004166 /nfs/dbraw/zinc/00/41/66/448004166.db2.gz YPBPIBMDPAICJN-RYUDHWBXSA-N 0 3 349.387 1.921 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC(=O)N1CCN(C)CC1 ZINC000532216064 448217607 /nfs/dbraw/zinc/21/76/07/448217607.db2.gz RQOZTGZOWPCILF-CQSZACIVSA-N 0 3 334.420 1.718 20 5 EDBDHN O=C(CCN[C@H]1CC(=O)N(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591747733 448480354 /nfs/dbraw/zinc/48/03/54/448480354.db2.gz DSLFTFODPSRWNF-NSHDSACASA-N 0 3 332.360 1.276 20 5 EDBDHN C[C@@H](C(=O)N[C@@H](C)CCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000517004406 448519529 /nfs/dbraw/zinc/51/95/29/448519529.db2.gz IMIYIWUXLHNFQR-LSDHHAIUSA-N 0 3 348.447 1.841 20 5 EDBDHN CCC[NH+]1CCC(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000573146563 448554338 /nfs/dbraw/zinc/55/43/38/448554338.db2.gz KRDWHZBBVREDHZ-UHFFFAOYSA-N 0 3 342.421 1.390 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3cccc(F)c3)CCC2)c1 ZINC000592145613 448705130 /nfs/dbraw/zinc/70/51/30/448705130.db2.gz UJSIALLBUAAJNO-HNNXBMFYSA-N 0 3 334.351 1.960 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000568984076 448948749 /nfs/dbraw/zinc/94/87/49/448948749.db2.gz OMKLWPAUDLNGHV-YUTCNCBUSA-N 0 3 346.330 1.473 20 5 EDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000522055124 449046738 /nfs/dbraw/zinc/04/67/38/449046738.db2.gz ARXXAJYHLCJRFO-UHFFFAOYSA-N 0 3 332.364 1.649 20 5 EDBDHN C[C@H](CO)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000593079919 449125592 /nfs/dbraw/zinc/12/55/92/449125592.db2.gz BBXMQYMDHJUYTR-UKRRQHHQSA-N 0 3 338.404 1.675 20 5 EDBDHN Cc1nccnc1CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590195573 449115350 /nfs/dbraw/zinc/11/53/50/449115350.db2.gz DCTRFGBQJCWTCO-UHFFFAOYSA-N 0 3 330.344 1.797 20 5 EDBDHN O=C1[C@H](N[C@H]2C[C@@H](O)C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595786103 449164748 /nfs/dbraw/zinc/16/47/48/449164748.db2.gz ZVVDCPDMUZSCCH-QLFBSQMISA-N 0 3 331.372 1.593 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000600007493 449146453 /nfs/dbraw/zinc/14/64/53/449146453.db2.gz UWGMHTHGPIBKFW-UHFFFAOYSA-N 0 3 348.403 1.625 20 5 EDBDHN Cc1c(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000590402480 449149600 /nfs/dbraw/zinc/14/96/00/449149600.db2.gz UVVAYQJCOPDOKL-HOTGVXAUSA-N 0 3 333.388 1.838 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000590589074 449204498 /nfs/dbraw/zinc/20/44/98/449204498.db2.gz LKMLSBPPLDUOHI-ZYHUDNBSSA-N 0 3 343.405 1.317 20 5 EDBDHN C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO ZINC000595875177 449224500 /nfs/dbraw/zinc/22/45/00/449224500.db2.gz PZAYYHPFOUJMOA-PXAZEXFGSA-N 0 3 349.387 1.843 20 5 EDBDHN CN(CCN1CCCCC1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000593517937 449321383 /nfs/dbraw/zinc/32/13/83/449321383.db2.gz VIZNIPAZMIAVKI-UHFFFAOYSA-N 0 3 342.421 1.164 20 5 EDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000598263095 449321700 /nfs/dbraw/zinc/32/17/00/449321700.db2.gz PMFTZDFYWHHGKZ-CYBMUJFWSA-N 0 3 337.424 1.763 20 5 EDBDHN CN([C@@H](CN)C(F)(F)F)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000596051042 449337487 /nfs/dbraw/zinc/33/74/87/449337487.db2.gz LDQUNKRZHTVCRW-JTQLQIEISA-N 0 3 341.311 1.246 20 5 EDBDHN Nc1nccc(C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000594285746 449431045 /nfs/dbraw/zinc/43/10/45/449431045.db2.gz BKPWDMCLPFQVMX-GFCCVEGCSA-N 0 3 333.392 1.663 20 5 EDBDHN C[C@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000596155397 449388067 /nfs/dbraw/zinc/38/80/67/449388067.db2.gz JSNSUDUSVQCAPS-GXSJLCMTSA-N 0 3 340.405 1.279 20 5 EDBDHN COCCN1CCC[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710718 449390280 /nfs/dbraw/zinc/39/02/80/449390280.db2.gz NLQSEKINNPFYSF-ZDUSSCGKSA-N 0 3 331.376 2.061 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC2(CN(C)C)CCC2)c(C)c1[N+](=O)[O-] ZINC000598611631 449492802 /nfs/dbraw/zinc/49/28/02/449492802.db2.gz VCYGWYKNFDBNRE-UHFFFAOYSA-N 0 3 341.433 1.974 20 5 EDBDHN C[C@@H]1NCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)[C@H]1C ZINC000602490663 449629280 /nfs/dbraw/zinc/62/92/80/449629280.db2.gz CVFCRUXLLBTZCE-QWRGUYRKSA-N 0 3 347.350 1.742 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598893767 449633266 /nfs/dbraw/zinc/63/32/66/449633266.db2.gz CWBRXYBJDKOTJD-AWEZNQCLSA-N 0 3 349.391 1.317 20 5 EDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCN(CCO)CC1 ZINC000601114159 449696985 /nfs/dbraw/zinc/69/69/85/449696985.db2.gz NESVZAPAMJNBMF-UHFFFAOYSA-N 0 3 337.302 1.216 20 5 EDBDHN C[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000601135849 449709049 /nfs/dbraw/zinc/70/90/49/449709049.db2.gz JQEOMTQHGLXCMW-TZMCWYRMSA-N 0 3 337.399 1.591 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](n3cnc4c3CCCC4)C2)c1 ZINC000614740800 449785015 /nfs/dbraw/zinc/78/50/15/449785015.db2.gz KSIXDNLZMRIKOX-CYBMUJFWSA-N 0 3 330.392 1.814 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595122247 449883869 /nfs/dbraw/zinc/88/38/69/449883869.db2.gz IKOVRRSMQUTEKY-GHMZBOCLSA-N 0 3 331.369 1.271 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000609382578 450021426 /nfs/dbraw/zinc/02/14/26/450021426.db2.gz CELZHVJTZZAXIJ-AWEZNQCLSA-N 0 3 347.371 1.596 20 5 EDBDHN CCCN(C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595380704 450095174 /nfs/dbraw/zinc/09/51/74/450095174.db2.gz AUXIBGLCAXAVEE-UHFFFAOYSA-N 0 3 329.422 1.994 20 5 EDBDHN C[C@]1(CO)CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599623344 450111004 /nfs/dbraw/zinc/11/10/04/450111004.db2.gz MBDKEEHTYCFFIK-CALCHBBNSA-N 0 3 338.404 1.677 20 5 EDBDHN C[NH+](C)C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCC1 ZINC000610261054 450173215 /nfs/dbraw/zinc/17/32/15/450173215.db2.gz UUYHJIQGZYIVHI-UHFFFAOYSA-N 0 3 342.421 1.533 20 5 EDBDHN CCN1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000595536386 450215623 /nfs/dbraw/zinc/21/56/23/450215623.db2.gz REUOCTTYTNVRMC-AWEZNQCLSA-N 0 3 346.431 1.900 20 5 EDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2CCC1CC2 ZINC000615883768 450264864 /nfs/dbraw/zinc/26/48/64/450264864.db2.gz FDKXZWJCQFWFJY-UHFFFAOYSA-N 0 3 346.387 1.021 20 5 EDBDHN COC(=O)COc1ccc(CNCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000616092865 450319482 /nfs/dbraw/zinc/31/94/82/450319482.db2.gz HAZXXGLLSDVCLL-UHFFFAOYSA-N 0 3 326.349 1.255 20 5 EDBDHN Cc1cc(OCC(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000619535948 450501064 /nfs/dbraw/zinc/50/10/64/450501064.db2.gz DSVABXVXSDUMMU-CQSZACIVSA-N 0 3 333.388 1.883 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184306160 533906582 /nfs/dbraw/zinc/90/65/82/533906582.db2.gz SXSMPWMJSNYGMG-CQSZACIVSA-N 0 3 334.420 1.280 20 5 EDBDHN CC(C)(C(=O)NC[C@H]1CCCCN1C1CC1)n1cc([N+](=O)[O-])cn1 ZINC000347323654 534347873 /nfs/dbraw/zinc/34/78/73/534347873.db2.gz YTVIAQVFBGAPEN-CYBMUJFWSA-N 0 3 335.408 1.660 20 5 EDBDHN CC1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000189111105 535196509 /nfs/dbraw/zinc/19/65/09/535196509.db2.gz JQZVQIZXPOYAPX-UHFFFAOYSA-N 0 3 325.340 1.909 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093045485 535489811 /nfs/dbraw/zinc/48/98/11/535489811.db2.gz SLBSBYZSSYFIAD-UHFFFAOYSA-N 0 3 348.447 1.889 20 5 EDBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1c(C)nn(C)c1C ZINC000348045401 535804271 /nfs/dbraw/zinc/80/42/71/535804271.db2.gz NNYANWYCXVGRPV-CQSZACIVSA-N 0 3 333.392 1.848 20 5 EDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271351247 535939558 /nfs/dbraw/zinc/93/95/58/535939558.db2.gz FANMXGMGFCWZJO-CYBMUJFWSA-N 0 3 331.376 1.231 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000741725596 579426278 /nfs/dbraw/zinc/42/62/78/579426278.db2.gz QBFMSFMWPPKHHK-GHMZBOCLSA-N 0 3 325.340 1.712 20 5 EDBDHN CN(CCCNC(=O)C1CCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759998793 580021280 /nfs/dbraw/zinc/02/12/80/580021280.db2.gz JZGVZAYBNURNHO-INIZCTEOSA-N 0 3 335.404 1.866 20 5 EDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729502355 578578138 /nfs/dbraw/zinc/57/81/38/578578138.db2.gz SMNNIQUPEYYOMX-HUUCEWRRSA-N 0 3 348.403 1.599 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000731058396 578666718 /nfs/dbraw/zinc/66/67/18/578666718.db2.gz WZFHCLQXWIRBTC-LLVKDONJSA-N 0 3 336.348 1.883 20 5 EDBDHN CN(C)[C@@H]1CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000738142643 579163592 /nfs/dbraw/zinc/16/35/92/579163592.db2.gz GFLWWSXNHPROKR-GFCCVEGCSA-N 0 3 332.360 1.174 20 5 EDBDHN COc1ccccc1[C@@H](O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749675405 579734394 /nfs/dbraw/zinc/73/43/94/579734394.db2.gz ZAYDCNRKVHAZNK-HOTGVXAUSA-N 0 3 332.356 1.960 20 5 EDBDHN COC[C@](C)(CC(=O)OC)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750108844 579752226 /nfs/dbraw/zinc/75/22/26/579752226.db2.gz WVQCRNKAPCCVRB-HIFRSBDPSA-N 0 3 326.349 1.186 20 5 EDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000780600421 580528233 /nfs/dbraw/zinc/52/82/33/580528233.db2.gz NGYRVJJMEUDDQO-GFCCVEGCSA-N 0 3 333.392 1.524 20 5 EDBDHN CCCCN(C)CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781974677 580562259 /nfs/dbraw/zinc/56/22/59/580562259.db2.gz MXPPFVPTWAWPJN-MRXNPFEDSA-N 0 3 348.403 1.936 20 5 EDBDHN C/C(=C\C(=O)NCCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785067993 580634972 /nfs/dbraw/zinc/63/49/72/580634972.db2.gz ZZHDSSSZPVATNT-CCEZHUSRSA-N 0 3 346.431 1.752 20 5 EDBDHN C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788711466 580728393 /nfs/dbraw/zinc/72/83/93/580728393.db2.gz MNFKGSRLXCQCMX-WCQYABFASA-N 0 3 337.376 1.750 20 5 EDBDHN C[C@@]1(C(N)=O)CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000794707515 580903878 /nfs/dbraw/zinc/90/38/78/580903878.db2.gz XYMXFOHZMGRXMX-MRXNPFEDSA-N 0 3 329.360 1.613 20 5 EDBDHN COc1ccc(CNC(=O)NCCN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000892213105 590868194 /nfs/dbraw/zinc/86/81/94/590868194.db2.gz WUGIWJKGZLYDRC-LBPRGKRZSA-N 0 3 336.392 1.887 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CCN(C)CCO ZINC000894592134 591361403 /nfs/dbraw/zinc/36/14/03/591361403.db2.gz WIYXHJITKOJOIZ-UHFFFAOYSA-N 0 3 325.365 1.050 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@@H]3CCCN4CCO)c21 ZINC000897221633 591776626 /nfs/dbraw/zinc/77/66/26/591776626.db2.gz NYHXVZUEJMAKSQ-KGLIPLIRSA-N 0 3 343.387 1.573 20 5 EDBDHN CC(C)N1CCN(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000900100207 591902517 /nfs/dbraw/zinc/90/25/17/591902517.db2.gz ZXFHPSIZHZCDKG-UHFFFAOYSA-N 0 3 346.431 1.900 20 5 EDBDHN CN1CCC(NCc2cn(CCc3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000900525483 592036857 /nfs/dbraw/zinc/03/68/57/592036857.db2.gz VGULSXMTKNDISW-UHFFFAOYSA-N 0 3 344.419 1.613 20 5 EDBDHN O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507192 592198626 /nfs/dbraw/zinc/19/86/26/592198626.db2.gz QPBNZELCXOZDBP-IYBDPMFKSA-N 0 3 346.431 1.701 20 5 EDBDHN O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507192 592198629 /nfs/dbraw/zinc/19/86/29/592198629.db2.gz QPBNZELCXOZDBP-IYBDPMFKSA-N 0 3 346.431 1.701 20 5 EDBDHN O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507192 592198633 /nfs/dbraw/zinc/19/86/33/592198633.db2.gz QPBNZELCXOZDBP-IYBDPMFKSA-N 0 3 346.431 1.701 20 5 EDBDHN CNCCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000903588897 592223462 /nfs/dbraw/zinc/22/34/62/592223462.db2.gz PLSLGMBQNKANIK-UHFFFAOYSA-N 0 3 335.813 1.867 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901186148 592268898 /nfs/dbraw/zinc/26/88/98/592268898.db2.gz KRLRGHJEDQXEIA-ZDUSSCGKSA-N 0 3 333.747 1.430 20 5 EDBDHN COc1ccc(C[C@H](CO)CNCC[N+](=O)[O-])cc1Br ZINC000905373845 592518905 /nfs/dbraw/zinc/51/89/05/592518905.db2.gz QXUHFOGLHPRKQT-NSHDSACASA-N 0 3 347.209 1.475 20 5 EDBDHN C[C@@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCO1 ZINC000905589974 592584268 /nfs/dbraw/zinc/58/42/68/592584268.db2.gz PVWIMCXRCHQRLC-HNNXBMFYSA-N 0 3 342.417 1.917 20 5 EDBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000805427316 593449466 /nfs/dbraw/zinc/44/94/66/593449466.db2.gz VQMUTUIQDBHECO-LBPRGKRZSA-N 0 3 336.392 1.111 20 5 EDBDHN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813103828 593517939 /nfs/dbraw/zinc/51/79/39/593517939.db2.gz UUQIZDGITSXINY-NSHDSACASA-N 0 3 344.389 1.538 20 5 EDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(NC(C)=O)c1OC ZINC000813114695 593518856 /nfs/dbraw/zinc/51/88/56/593518856.db2.gz VGYVQLVZVOYJAE-QMMMGPOBSA-N 0 3 326.305 1.484 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000816953590 593563125 /nfs/dbraw/zinc/56/31/25/593563125.db2.gz JYCOWTZEHXAEKE-UFBFGSQYSA-N 0 3 333.373 1.376 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000818292071 593690206 /nfs/dbraw/zinc/69/02/06/593690206.db2.gz YNFNWCSXANESHE-QWHCGFSZSA-N 0 3 333.323 1.034 20 5 EDBDHN CC(C)(C)[S@@](=O)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819057365 593736260 /nfs/dbraw/zinc/73/62/60/593736260.db2.gz VSRXIBHVOFRAIZ-NPMABZOXSA-N 0 3 344.433 1.471 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCOc1cccnc1 ZINC000819067972 593737154 /nfs/dbraw/zinc/73/71/54/593737154.db2.gz CVDSXEMLKQUSLP-CYBMUJFWSA-N 0 3 333.344 1.398 20 5 EDBDHN COCC(C)(C)N1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000819894392 593774763 /nfs/dbraw/zinc/77/47/63/593774763.db2.gz SLPSCXFGBHMAGW-UHFFFAOYSA-N 0 3 347.419 1.945 20 5 EDBDHN CC(C)C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824261857 593970050 /nfs/dbraw/zinc/97/00/50/593970050.db2.gz SCFJZOHLOIATMQ-LLVKDONJSA-N 0 3 346.395 1.702 20 5 EDBDHN CC(C)C[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824261857 593970052 /nfs/dbraw/zinc/97/00/52/593970052.db2.gz SCFJZOHLOIATMQ-LLVKDONJSA-N 0 3 346.395 1.702 20 5 EDBDHN CC(C)C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824261857 593970054 /nfs/dbraw/zinc/97/00/54/593970054.db2.gz SCFJZOHLOIATMQ-LLVKDONJSA-N 0 3 346.395 1.702 20 5 EDBDHN CC(C)C[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824261857 593970057 /nfs/dbraw/zinc/97/00/57/593970057.db2.gz SCFJZOHLOIATMQ-LLVKDONJSA-N 0 3 346.395 1.702 20 5 EDBDHN CC[NH+](CC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821182670 593984861 /nfs/dbraw/zinc/98/48/61/593984861.db2.gz XEALTNXYWDUKRG-LBPRGKRZSA-N 0 3 331.380 1.695 20 5 EDBDHN CC[NH+](CC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821182670 593984863 /nfs/dbraw/zinc/98/48/63/593984863.db2.gz XEALTNXYWDUKRG-LBPRGKRZSA-N 0 3 331.380 1.695 20 5 EDBDHN C[C@H](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[NH+]1CCCCC1 ZINC000824407054 594004095 /nfs/dbraw/zinc/00/40/95/594004095.db2.gz UWNWFXSJIWYYFT-LLVKDONJSA-N 0 3 346.395 1.846 20 5 EDBDHN C[C@H](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[NH+]1CCCCC1 ZINC000824407054 594004098 /nfs/dbraw/zinc/00/40/98/594004098.db2.gz UWNWFXSJIWYYFT-LLVKDONJSA-N 0 3 346.395 1.846 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CCN(C)C2)c1 ZINC000841524515 594914676 /nfs/dbraw/zinc/91/46/76/594914676.db2.gz NVQKCOJACATEKK-JTQLQIEISA-N 0 3 347.824 1.787 20 5 EDBDHN C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000836283775 594946910 /nfs/dbraw/zinc/94/69/10/594946910.db2.gz NRIFCMFJWIPZDT-VBNZEHGJSA-N 0 3 348.403 1.818 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000834570013 595165907 /nfs/dbraw/zinc/16/59/07/595165907.db2.gz XFIUGBQDROLULJ-HNNXBMFYSA-N 0 3 325.340 1.263 20 5 EDBDHN C[C@H](OC(=O)C1CCCN(C)C1=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000837953769 595238526 /nfs/dbraw/zinc/23/85/26/595238526.db2.gz MHPUXERPTSYPSU-WDEREUQCSA-N 0 3 349.343 1.333 20 5 EDBDHN COc1cc(Cc2noc(C[C@@H]3CNCCO3)n2)ccc1[N+](=O)[O-] ZINC000843192934 595302581 /nfs/dbraw/zinc/30/25/81/595302581.db2.gz ZQMSKMTZIAMVEG-LLVKDONJSA-N 0 3 334.332 1.108 20 5 EDBDHN COCCN(C)CCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848582110 595408763 /nfs/dbraw/zinc/40/87/63/595408763.db2.gz WNNSBKDPLYIZSQ-UHFFFAOYSA-N 0 3 347.318 1.261 20 5 EDBDHN COCC[N@H+](C)CC[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848582110 595408765 /nfs/dbraw/zinc/40/87/65/595408765.db2.gz WNNSBKDPLYIZSQ-UHFFFAOYSA-N 0 3 347.318 1.261 20 5 EDBDHN COCC[N@@H+](C)CC[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848582110 595408769 /nfs/dbraw/zinc/40/87/69/595408769.db2.gz WNNSBKDPLYIZSQ-UHFFFAOYSA-N 0 3 347.318 1.261 20 5 EDBDHN [NH3+]CC1([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000857766060 595600715 /nfs/dbraw/zinc/60/07/15/595600715.db2.gz YIVCRWMSOJXXNB-UHFFFAOYSA-N 0 3 329.303 1.954 20 5 EDBDHN C[C@@H]1CO[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000851416991 595799242 /nfs/dbraw/zinc/79/92/42/595799242.db2.gz VZZGCYZTSWPCEJ-SLBVQIDZSA-N 0 3 334.372 1.484 20 5 EDBDHN CCN(CCNC(=O)OC(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000859530415 596123761 /nfs/dbraw/zinc/12/37/61/596123761.db2.gz OXIFTVGJHRQIQS-UHFFFAOYSA-N 0 3 327.385 1.638 20 5 EDBDHN O=C1CCCN1C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852680023 596226145 /nfs/dbraw/zinc/22/61/45/596226145.db2.gz JLLKRIJYWBVNFL-CJNGLKHVSA-N 0 3 333.388 1.573 20 5 EDBDHN O=C(c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1)N1CCCC1 ZINC000865495817 596590849 /nfs/dbraw/zinc/59/08/49/596590849.db2.gz OFTUZRCCVGPIBH-UHFFFAOYSA-N 0 3 343.387 1.817 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000869776609 596627203 /nfs/dbraw/zinc/62/72/03/596627203.db2.gz OYSCGOLRKKATBN-ZDUSSCGKSA-N 0 3 339.367 1.238 20 5 EDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869776850 596628501 /nfs/dbraw/zinc/62/85/01/596628501.db2.gz YHBITWYCKDLXQC-NSHDSACASA-N 0 3 339.367 1.617 20 5 EDBDHN Cc1c(CNC[C@H]2CCCN2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873094488 597190895 /nfs/dbraw/zinc/19/08/95/597190895.db2.gz JOLMWTMJASINLT-CYBMUJFWSA-N 0 3 327.406 1.417 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)c2ccc[nH]2)CC1 ZINC000939947630 700063039 /nfs/dbraw/zinc/06/30/39/700063039.db2.gz HTEGURBZXFZONX-UHFFFAOYSA-N 0 3 346.391 1.441 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(CCOC)CCN(C)C)c1 ZINC000563185046 306322152 /nfs/dbraw/zinc/32/21/52/306322152.db2.gz PWONEOJCBKYSNK-UHFFFAOYSA-N 0 3 339.392 1.644 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCCSC1 ZINC000183607040 235161099 /nfs/dbraw/zinc/16/10/99/235161099.db2.gz QRUHTZKGMKCGCW-LLVKDONJSA-N 0 3 345.446 1.358 20 5 EDBDHN Cc1sc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184407067 235390279 /nfs/dbraw/zinc/39/02/79/235390279.db2.gz IFPRVCFCMRWMSW-NSHDSACASA-N 0 3 340.449 1.721 20 5 EDBDHN C[C@H]1C[C@H]1N1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488724000 291158241 /nfs/dbraw/zinc/15/82/41/291158241.db2.gz BMPSQMWDDUYKJS-TYNCELHUSA-N 0 3 332.404 1.860 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCNC[C@@H]1C(F)F ZINC000566242715 306405850 /nfs/dbraw/zinc/40/58/50/306405850.db2.gz WRJGQABZYOEAPD-CYBMUJFWSA-N 0 3 342.346 1.771 20 5 EDBDHN O=C(NCCN1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109986246 220007672 /nfs/dbraw/zinc/00/76/72/220007672.db2.gz JVHAEOFKYCEZAR-UHFFFAOYSA-N 0 3 344.371 1.652 20 5 EDBDHN CN(C)CCNC(=O)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000195519160 139019224 /nfs/dbraw/zinc/01/92/24/139019224.db2.gz PKLRAJVBORUMPM-UHFFFAOYSA-N 0 3 334.420 1.485 20 5 EDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000246862782 139124725 /nfs/dbraw/zinc/12/47/25/139124725.db2.gz DAJSAOIZFAPKHW-SWLSCSKDSA-N 0 3 339.417 1.700 20 5 EDBDHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCNCC1 ZINC000178359833 284668221 /nfs/dbraw/zinc/66/82/21/284668221.db2.gz PYBOPAFWQWQPLO-UHFFFAOYSA-N 0 3 328.166 1.793 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000261462094 139208468 /nfs/dbraw/zinc/20/84/68/139208468.db2.gz UBNOTIIOUABXJM-CQSZACIVSA-N 0 3 347.419 1.150 20 5 EDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000261730396 139221335 /nfs/dbraw/zinc/22/13/35/139221335.db2.gz ROWUROXUQLENQK-QEORTHHSSA-N 0 3 333.388 1.744 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261759929 139223764 /nfs/dbraw/zinc/22/37/64/139223764.db2.gz PVIZCDJMIWCUBU-MNOVXSKESA-N 0 3 343.405 1.270 20 5 EDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@](C)(O)CN(C)C ZINC000152871234 224023980 /nfs/dbraw/zinc/02/39/80/224023980.db2.gz XPZPAUPPXBUMAS-NHYWBVRUSA-N 0 3 341.433 1.504 20 5 EDBDHN CCCCN(C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000112401322 220319419 /nfs/dbraw/zinc/31/94/19/220319419.db2.gz OTUXLOZNYADLCB-UHFFFAOYSA-N 0 3 336.392 1.173 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CCO)C(C)(C)C ZINC000183679099 533138709 /nfs/dbraw/zinc/13/87/09/533138709.db2.gz UNMTUOVSMGVZSS-AWEZNQCLSA-N 0 3 339.392 1.929 20 5 EDBDHN C[C@H](NC[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000271684723 140333566 /nfs/dbraw/zinc/33/35/66/140333566.db2.gz DGAAFTQOLWOVSG-STQMWFEESA-N 0 3 341.433 1.917 20 5 EDBDHN C[C@@H]1CN(C)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332009872 141110134 /nfs/dbraw/zinc/11/01/34/141110134.db2.gz DGKWWKBDCXPVRO-GFCCVEGCSA-N 0 3 334.376 1.529 20 5 EDBDHN CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000344731800 143004476 /nfs/dbraw/zinc/00/44/76/143004476.db2.gz HIVPAMSPDMNZFS-OLZOCXBDSA-N 0 3 327.381 1.852 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N(C)C1 ZINC000346787231 143245885 /nfs/dbraw/zinc/24/58/85/143245885.db2.gz GPHYYXZQBKVMPJ-ZIAGYGMSSA-N 0 3 340.355 1.917 20 5 EDBDHN Cc1c(CNC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000348025231 143392682 /nfs/dbraw/zinc/39/26/82/143392682.db2.gz TVUDUHHLLAWOHN-FZMZJTMJSA-N 0 3 348.403 1.118 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-]CCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000360393325 152019387 /nfs/dbraw/zinc/01/93/87/152019387.db2.gz KIJMAEQFPZFVJI-UHFFFAOYSA-N 0 3 341.433 1.913 20 5 EDBDHN O=[N+]([O-])c1cnccc1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000360993310 152272517 /nfs/dbraw/zinc/27/25/17/152272517.db2.gz ATLOKFMMJRZNIE-KRWDZBQOSA-N 0 3 328.372 1.461 20 5 EDBDHN CNS(=O)(=O)c1ccc(N[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000361065550 152293695 /nfs/dbraw/zinc/29/36/95/152293695.db2.gz KTRHDMZADZEYJQ-WDEREUQCSA-N 0 3 342.421 1.398 20 5 EDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000363890948 153087536 /nfs/dbraw/zinc/08/75/36/153087536.db2.gz SPMLHBSBKBNDGT-LBPRGKRZSA-N 0 3 333.392 1.663 20 5 EDBDHN Cc1ccnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000363925976 153098278 /nfs/dbraw/zinc/09/82/78/153098278.db2.gz XJVUXTVCJDBLBY-HNNXBMFYSA-N 0 3 333.436 1.903 20 5 EDBDHN Cc1nn(C)c(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)c1[N+](=O)[O-] ZINC000364302699 153200174 /nfs/dbraw/zinc/20/01/74/153200174.db2.gz IAZSEEUQPAOGPQ-QWHCGFSZSA-N 0 3 347.350 1.343 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000374071185 157130001 /nfs/dbraw/zinc/13/00/01/157130001.db2.gz YCLQEYNJULMRSU-SQWLQELKSA-N 0 3 336.388 1.835 20 5 EDBDHN CN(C)CCN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000192744733 272985575 /nfs/dbraw/zinc/98/55/75/272985575.db2.gz GUQYIGMKOOEHBI-BQYQJAHWSA-N 0 3 332.404 1.314 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-]CC2([NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC000237738581 273012495 /nfs/dbraw/zinc/01/24/95/273012495.db2.gz AMYQEDPYKCSQPO-UHFFFAOYSA-N 0 3 327.406 1.843 20 5 EDBDHN CN(C)CCN1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000275002856 268261246 /nfs/dbraw/zinc/26/12/46/268261246.db2.gz VEOBOOAPDFIGFK-UHFFFAOYSA-N 0 3 340.811 1.568 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(CCCO)CC1 ZINC000273156846 273030443 /nfs/dbraw/zinc/03/04/43/273030443.db2.gz MVFRLAQAUWUNJE-HNNXBMFYSA-N 0 3 338.404 1.819 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H](c1cccs1)N1CCCC1 ZINC000043284951 272910478 /nfs/dbraw/zinc/91/04/78/272910478.db2.gz DQYPBOBUXCNURU-GFCCVEGCSA-N 0 3 349.416 1.806 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000283942391 274020039 /nfs/dbraw/zinc/02/00/39/274020039.db2.gz YCABLFYNYGXDCM-NEPJUHHUSA-N 0 3 334.376 1.758 20 5 EDBDHN CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000284201483 274114614 /nfs/dbraw/zinc/11/46/14/274114614.db2.gz SNBFDPOGTXSHNO-ZIAGYGMSSA-N 0 3 340.405 1.980 20 5 EDBDHN COc1ccc([C@H](CN(C)C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000284333850 274164929 /nfs/dbraw/zinc/16/49/29/274164929.db2.gz MMARKACOMDKPAT-HNNXBMFYSA-N 0 3 347.375 1.219 20 5 EDBDHN CCN1CCN([C@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000107370362 276201385 /nfs/dbraw/zinc/20/13/85/276201385.db2.gz GIPOMCLHVWZTFM-AWEZNQCLSA-N 0 3 336.411 1.946 20 5 EDBDHN COC(=O)N1CCC([C@@H](C)NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000496002797 277333799 /nfs/dbraw/zinc/33/37/99/277333799.db2.gz CJHZCFNUPAGTFE-SNVBAGLBSA-N 0 3 325.369 1.285 20 5 EDBDHN C[C@@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000193410259 278565736 /nfs/dbraw/zinc/56/57/36/278565736.db2.gz VVLXEBNJHSSKGP-SCZZXKLOSA-N 0 3 333.797 1.525 20 5 EDBDHN C[C@H](NC(=O)NCCNc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000341909466 279437876 /nfs/dbraw/zinc/43/78/76/279437876.db2.gz UOLDZWOOVVQOKL-LBPRGKRZSA-N 0 3 329.360 1.884 20 5 EDBDHN COCCCN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCN(C)CC1 ZINC000291262678 289027279 /nfs/dbraw/zinc/02/72/79/289027279.db2.gz QZGUWHVDYDOGGC-UHFFFAOYSA-N 0 3 325.365 1.761 20 5 EDBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000262010581 289987226 /nfs/dbraw/zinc/98/72/26/289987226.db2.gz WIIOHSMYVZQWAF-UWVGGRQHSA-N 0 3 347.824 1.915 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000340877821 301685817 /nfs/dbraw/zinc/68/58/17/301685817.db2.gz CVRIMRCYBBFKRT-WCQYABFASA-N 0 3 327.406 1.474 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000295429738 303217896 /nfs/dbraw/zinc/21/78/96/303217896.db2.gz URVZFYSTYAIKBX-LBPRGKRZSA-N 0 3 335.408 1.433 20 5 EDBDHN Cc1cc(Cl)c(C(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000295442167 303219815 /nfs/dbraw/zinc/21/98/15/303219815.db2.gz NEIPKBYKQXIAPF-AWEZNQCLSA-N 0 3 329.784 1.599 20 5 EDBDHN COCCCN(C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296530236 303322660 /nfs/dbraw/zinc/32/26/60/303322660.db2.gz PPHWDZVENPKTGJ-ZDUSSCGKSA-N 0 3 338.408 1.923 20 5 EDBDHN C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000296738925 303334630 /nfs/dbraw/zinc/33/46/30/303334630.db2.gz OSXHVYPMNGDLLW-ZDUSSCGKSA-N 0 3 332.404 1.949 20 5 EDBDHN NC(=O)c1ccc(N2CCC[C@H]2CN2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000362740848 303344302 /nfs/dbraw/zinc/34/43/02/303344302.db2.gz HZIFWVOZCAIJHC-UONOGXRCSA-N 0 3 348.403 1.119 20 5 EDBDHN CCN(CC)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298019360 303488060 /nfs/dbraw/zinc/48/80/60/303488060.db2.gz DCDGFRRHKSEGOE-UHFFFAOYSA-N 0 3 342.783 1.645 20 5 EDBDHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423706204 304904813 /nfs/dbraw/zinc/90/48/13/304904813.db2.gz QFMXGKZXPFIGFE-JSGCOSHPSA-N 0 3 348.403 1.106 20 5 EDBDHN COc1ccc(OCCN[C@H](CO)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447910593 305288809 /nfs/dbraw/zinc/28/88/09/305288809.db2.gz CZLUNDIYLNGVFY-OCCSQVGLSA-N 0 3 326.349 1.112 20 5 EDBDHN CC[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449782218 305318930 /nfs/dbraw/zinc/31/89/30/305318930.db2.gz YDVZXSAJSLSMTO-AWEZNQCLSA-N 0 3 331.376 1.610 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000457228033 305484826 /nfs/dbraw/zinc/48/48/26/305484826.db2.gz XCWQBALIVSOCIE-UHFFFAOYSA-N 0 3 332.364 1.246 20 5 EDBDHN CC(C)[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C ZINC000518398810 305761562 /nfs/dbraw/zinc/76/15/62/305761562.db2.gz GZPXNNAQLZRXOT-OAHLLOKOSA-N 0 3 335.408 1.225 20 5 EDBDHN Cn1ccnc1[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000536069268 306019330 /nfs/dbraw/zinc/01/93/30/306019330.db2.gz YIIBCZBWZSFOLM-UKRRQHHQSA-N 0 3 346.387 1.558 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000542778270 306057996 /nfs/dbraw/zinc/05/79/96/306057996.db2.gz YPSSQJUBIDGCFO-CJNGLKHVSA-N 0 3 348.403 1.709 20 5 EDBDHN CC1(C)c2ccccc2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000552678704 306180812 /nfs/dbraw/zinc/18/08/12/306180812.db2.gz ZFFMLYOIXQKWLD-OAHLLOKOSA-N 0 3 330.388 1.946 20 5 EDBDHN CCCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014252364 441180941 /nfs/dbraw/zinc/18/09/41/441180941.db2.gz KXAWNCIWDSUBQO-UHFFFAOYSA-N 0 3 327.406 1.748 20 5 EDBDHN CN(C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000065769043 441483468 /nfs/dbraw/zinc/48/34/68/441483468.db2.gz ZJMUMYODICRPPG-HNNXBMFYSA-N 0 3 331.376 1.601 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112922714 441569779 /nfs/dbraw/zinc/56/97/79/441569779.db2.gz MHTNTOSIADDKMJ-OAHLLOKOSA-N 0 3 348.447 1.527 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1C[NH3+] ZINC000173336704 441717761 /nfs/dbraw/zinc/71/77/61/441717761.db2.gz IZZWLPFYVNZWDE-CMPLNLGQSA-N 0 3 343.405 1.399 20 5 EDBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000159390187 441809734 /nfs/dbraw/zinc/80/97/34/441809734.db2.gz YNSRIUZVLBIETC-MRXNPFEDSA-N 0 3 332.404 1.509 20 5 EDBDHN Cc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000122002556 441826775 /nfs/dbraw/zinc/82/67/75/441826775.db2.gz VOIIMOZYDBYZEA-CYBMUJFWSA-N 0 3 334.420 1.517 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000078572486 441946227 /nfs/dbraw/zinc/94/62/27/441946227.db2.gz PTFCMBMYXPZUCR-GFCCVEGCSA-N 0 3 327.406 1.523 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000126229919 442090637 /nfs/dbraw/zinc/09/06/37/442090637.db2.gz LJFOJGPJBVBMIV-OCCSQVGLSA-N 0 3 349.387 1.585 20 5 EDBDHN CCC[N@H+](CC)CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175362121 442049911 /nfs/dbraw/zinc/04/99/11/442049911.db2.gz MMOJFVRVXGKQPW-UHFFFAOYSA-N 0 3 333.385 1.744 20 5 EDBDHN CCC[N@@H+](CC)CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175362121 442049913 /nfs/dbraw/zinc/04/99/13/442049913.db2.gz MMOJFVRVXGKQPW-UHFFFAOYSA-N 0 3 333.385 1.744 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000126058995 442073841 /nfs/dbraw/zinc/07/38/41/442073841.db2.gz DWUKXPLNGWNKPR-YGRLFVJLSA-N 0 3 331.376 1.883 20 5 EDBDHN Cc1cc(NC(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)no1 ZINC000176201206 442189685 /nfs/dbraw/zinc/18/96/85/442189685.db2.gz XCCPAUQEKGYFDA-UHFFFAOYSA-N 0 3 348.363 1.438 20 5 EDBDHN CCN1CCC[C@@H]1CN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155356267 442390931 /nfs/dbraw/zinc/39/09/31/442390931.db2.gz YXTUAVQVMXAICC-OAHLLOKOSA-N 0 3 341.433 1.841 20 5 EDBDHN Cc1cc(S(=O)(=O)NC[C@H](C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000172018113 442399633 /nfs/dbraw/zinc/39/96/33/442399633.db2.gz MOVDXIKUWMAOCB-LBPRGKRZSA-N 0 3 341.433 1.913 20 5 EDBDHN COC[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178001058 442400316 /nfs/dbraw/zinc/40/03/16/442400316.db2.gz AHAHOJWSIOBIJJ-CQSZACIVSA-N 0 3 345.421 1.134 20 5 EDBDHN CC(C)N(C)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000155558384 442407958 /nfs/dbraw/zinc/40/79/58/442407958.db2.gz MTHFJDLQSUOXDD-UHFFFAOYSA-N 0 3 329.422 1.397 20 5 EDBDHN CCCNC(=O)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178858512 442504865 /nfs/dbraw/zinc/50/48/65/442504865.db2.gz CPDRMPFAQILPMY-ZBFHGGJFSA-N 0 3 335.404 1.866 20 5 EDBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178923015 442526602 /nfs/dbraw/zinc/52/66/02/442526602.db2.gz MJXFFNQTVKXECW-UHFFFAOYSA-N 0 3 345.403 1.818 20 5 EDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000178943447 442533712 /nfs/dbraw/zinc/53/37/12/442533712.db2.gz GITDBRLQOINUCP-CYBMUJFWSA-N 0 3 343.449 1.787 20 5 EDBDHN COC(=O)Cn1cc(CCN[C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000180459466 442605323 /nfs/dbraw/zinc/60/53/23/442605323.db2.gz YUOAUWDFTTUIBJ-LLVKDONJSA-N 0 3 333.348 1.253 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000192921156 442698237 /nfs/dbraw/zinc/69/82/37/442698237.db2.gz OPUXRHRGQWTWJW-TXEJJXNPSA-N 0 3 325.390 1.085 20 5 EDBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(-n2ccnn2)cc1 ZINC000182007688 442727613 /nfs/dbraw/zinc/72/76/13/442727613.db2.gz CWXPFTZNXJNOSA-LBPRGKRZSA-N 0 3 327.348 1.723 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000182217757 442747007 /nfs/dbraw/zinc/74/70/07/442747007.db2.gz OJDGFSQQBSAEFW-UONOGXRCSA-N 0 3 346.387 1.937 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000193580016 442755767 /nfs/dbraw/zinc/75/57/67/442755767.db2.gz IOUZNXFJAYIQOT-CYBMUJFWSA-N 0 3 349.435 1.302 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000193871770 442802641 /nfs/dbraw/zinc/80/26/41/442802641.db2.gz WEOXCDZAWPFJJS-JTQLQIEISA-N 0 3 343.380 1.497 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000193871770 442802645 /nfs/dbraw/zinc/80/26/45/442802645.db2.gz WEOXCDZAWPFJJS-JTQLQIEISA-N 0 3 343.380 1.497 20 5 EDBDHN C[C@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(C)C1CC1 ZINC000183010088 442864354 /nfs/dbraw/zinc/86/43/54/442864354.db2.gz VCKYWOHIARJGEE-BDJLRTHQSA-N 0 3 346.387 1.687 20 5 EDBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181533169 318485393 /nfs/dbraw/zinc/48/53/93/318485393.db2.gz COHCJFRVAUBFHF-LBPRGKRZSA-N 0 3 335.360 1.880 20 5 EDBDHN CCc1nn(C)c(NC[C@@H](C)CN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000189448251 442956229 /nfs/dbraw/zinc/95/62/29/442956229.db2.gz RVDYQWLHQKHGFQ-CYBMUJFWSA-N 0 3 338.456 1.576 20 5 EDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189432700 442951909 /nfs/dbraw/zinc/95/19/09/442951909.db2.gz ZIMWFXFLXJRMBR-CQSZACIVSA-N 0 3 337.420 1.751 20 5 EDBDHN CCN1CCC[C@@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000249771074 443005040 /nfs/dbraw/zinc/00/50/40/443005040.db2.gz SNLLKSVHFVTTJH-GXTWGEPZSA-N 0 3 348.403 1.314 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000268884705 443137257 /nfs/dbraw/zinc/13/72/57/443137257.db2.gz WZFBZWRUVNKQEJ-OAHLLOKOSA-N 0 3 348.403 1.346 20 5 EDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000268899062 443140784 /nfs/dbraw/zinc/14/07/84/443140784.db2.gz ZLIKQLDITGAXIT-AWEZNQCLSA-N 0 3 333.392 1.041 20 5 EDBDHN CCc1nc(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)n[nH]1 ZINC000190710399 443168528 /nfs/dbraw/zinc/16/85/28/443168528.db2.gz ZIQKPWDFTISSCL-UHFFFAOYSA-N 0 3 346.391 1.317 20 5 EDBDHN CCc1n[nH]c(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000190710399 443168535 /nfs/dbraw/zinc/16/85/35/443168535.db2.gz ZIQKPWDFTISSCL-UHFFFAOYSA-N 0 3 346.391 1.317 20 5 EDBDHN CCc1nnc(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)[nH]1 ZINC000190710399 443168543 /nfs/dbraw/zinc/16/85/43/443168543.db2.gz ZIQKPWDFTISSCL-UHFFFAOYSA-N 0 3 346.391 1.317 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000269031968 443177918 /nfs/dbraw/zinc/17/79/18/443177918.db2.gz ANRMAOSAUFPOAQ-RDJZCZTQSA-N 0 3 345.403 1.729 20 5 EDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000268956771 443159048 /nfs/dbraw/zinc/15/90/48/443159048.db2.gz DOPJPXCPLNWVGX-WMLDXEAASA-N 0 3 346.431 1.894 20 5 EDBDHN COc1cc(CNC[C@H]2CCNCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000415011038 319345418 /nfs/dbraw/zinc/34/54/18/319345418.db2.gz VSDYLUMNZQUCJV-LLVKDONJSA-N 0 3 345.346 1.946 20 5 EDBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185975261 443292688 /nfs/dbraw/zinc/29/26/88/443292688.db2.gz VDKSZPNNVYDETC-DOMZBBRYSA-N 0 3 339.417 1.700 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000267096987 443340802 /nfs/dbraw/zinc/34/08/02/443340802.db2.gz JVEGLZPPRQUZAI-HNNXBMFYSA-N 0 3 339.417 1.771 20 5 EDBDHN COC[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000272636626 443390943 /nfs/dbraw/zinc/39/09/43/443390943.db2.gz BTXDOJCFVPOBJQ-HNNXBMFYSA-N 0 3 334.376 1.746 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@@H]2C1 ZINC000272661946 443401120 /nfs/dbraw/zinc/40/11/20/443401120.db2.gz ROQJJSJKSDUKJI-GXFFZTMASA-N 0 3 333.344 1.490 20 5 EDBDHN C[C@H](Cn1cccn1)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265071964 443524074 /nfs/dbraw/zinc/52/40/74/443524074.db2.gz OECSVNCBANMMQS-GFCCVEGCSA-N 0 3 329.360 1.359 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000279193518 443530716 /nfs/dbraw/zinc/53/07/16/443530716.db2.gz JXUGEPSNVUBJGN-UHFFFAOYSA-N 0 3 338.383 1.966 20 5 EDBDHN O=C([C@@H]1CCCN1C1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000279692554 443618617 /nfs/dbraw/zinc/61/86/17/443618617.db2.gz IGXJYYMVNAGXOQ-KRWDZBQOSA-N 0 3 344.415 1.870 20 5 EDBDHN COC(=O)[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280784560 443744944 /nfs/dbraw/zinc/74/49/44/443744944.db2.gz QKKCDEFFGTYQFX-FRRDWIJNSA-N 0 3 338.360 1.075 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000298511016 443787262 /nfs/dbraw/zinc/78/72/62/443787262.db2.gz WVLVWKZEOWKSQS-KBPBESRZSA-N 0 3 339.417 1.808 20 5 EDBDHN CN(C)CCN(CCN(C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000531357846 320656725 /nfs/dbraw/zinc/65/67/25/320656725.db2.gz PVKPTAMEBWQRFA-UHFFFAOYSA-N 0 3 348.403 1.906 20 5 EDBDHN Cc1cc(OCC(=O)N2C[C@H]3CCCN3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281551842 443941257 /nfs/dbraw/zinc/94/12/57/443941257.db2.gz XSJRIVKLXKHVFV-UONOGXRCSA-N 0 3 333.388 1.977 20 5 EDBDHN CC[C@@H](NC(=O)C(=O)NCCN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000285226416 443902541 /nfs/dbraw/zinc/90/25/41/443902541.db2.gz XCVBDONHGHHUKC-OAHLLOKOSA-N 0 3 348.403 1.373 20 5 EDBDHN COc1ccc(S(=O)(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000281673995 443976189 /nfs/dbraw/zinc/97/61/89/443976189.db2.gz XVKAPXPKRPNHSD-UHFFFAOYSA-N 0 3 343.405 1.366 20 5 EDBDHN CCN1CC[C@H]2OCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293311575 443980649 /nfs/dbraw/zinc/98/06/49/443980649.db2.gz QHKGGIDYBBELOG-YESZJQIVSA-N 0 3 335.404 1.423 20 5 EDBDHN CN1CC[C@@H]2OCCN(Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000285433948 443983061 /nfs/dbraw/zinc/98/30/61/443983061.db2.gz WXMOCWDOFVFUOV-GJZGRUSLSA-N 0 3 327.331 1.778 20 5 EDBDHN CC[C@@H](C)[C@H](O)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570515410 321344145 /nfs/dbraw/zinc/34/41/45/321344145.db2.gz HGLWWXVANJRHAW-BXUZGUMPSA-N 0 3 330.406 1.365 20 5 EDBDHN C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C)C1CC1 ZINC000278200716 444116110 /nfs/dbraw/zinc/11/61/10/444116110.db2.gz PVNSVYJTKYZIKY-SNVBAGLBSA-N 0 3 346.391 1.753 20 5 EDBDHN O=[N+]([O-])c1cnc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)nc1 ZINC000302243534 444210663 /nfs/dbraw/zinc/21/06/63/444210663.db2.gz ZBSQFKZJWJXOJJ-UKRRQHHQSA-N 0 3 329.360 1.432 20 5 EDBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cn1 ZINC000302441894 444213499 /nfs/dbraw/zinc/21/34/99/444213499.db2.gz NHBPWIBJQJEEHR-QGZVFWFLSA-N 0 3 343.387 1.458 20 5 EDBDHN C[C@@H]1C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000296238040 444214907 /nfs/dbraw/zinc/21/49/07/444214907.db2.gz CNRLPFVSPIXJHW-SUNKGSAMSA-N 0 3 343.405 1.029 20 5 EDBDHN Cc1c(NC(=O)N[C@@H]2CCCN(CCCO)C2)cccc1[N+](=O)[O-] ZINC000297509285 444295260 /nfs/dbraw/zinc/29/52/60/444295260.db2.gz RAMOHPJPZMYDFH-CYBMUJFWSA-N 0 3 336.392 1.872 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000342245508 444585343 /nfs/dbraw/zinc/58/53/43/444585343.db2.gz JZPVFKNDMGVQQH-TVQRCGJNSA-N 0 3 340.405 1.137 20 5 EDBDHN CC[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000338724071 444821812 /nfs/dbraw/zinc/82/18/12/444821812.db2.gz NPGOIBXALQQBTH-JTQLQIEISA-N 0 3 333.435 1.667 20 5 EDBDHN CC[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000338724071 444821817 /nfs/dbraw/zinc/82/18/17/444821817.db2.gz NPGOIBXALQQBTH-JTQLQIEISA-N 0 3 333.435 1.667 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)N(C)C1 ZINC000344490532 445007206 /nfs/dbraw/zinc/00/72/06/445007206.db2.gz DQJHEPVZVAJSGZ-UKRRQHHQSA-N 0 3 337.376 1.151 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)N(C)C1 ZINC000344493315 445009011 /nfs/dbraw/zinc/00/90/11/445009011.db2.gz HFMMDOITGGVPBG-LSDHHAIUSA-N 0 3 335.404 1.623 20 5 EDBDHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000337286842 445016939 /nfs/dbraw/zinc/01/69/39/445016939.db2.gz MPIZWSTWITVARB-QWRGUYRKSA-N 0 3 333.435 1.464 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(OCCN(C)C)CC1 ZINC000330721963 445111980 /nfs/dbraw/zinc/11/19/80/445111980.db2.gz HJEVCMDPDSHQIP-UHFFFAOYSA-N 0 3 336.392 1.481 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000345879019 445201015 /nfs/dbraw/zinc/20/10/15/445201015.db2.gz HBFYWMFKJRYKLK-TUAOUCFPSA-N 0 3 334.376 1.426 20 5 EDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000346921078 445227847 /nfs/dbraw/zinc/22/78/47/445227847.db2.gz JZFRTVSWBSNDQD-DFBGVHRSSA-N 0 3 343.387 1.590 20 5 EDBDHN C[C@@H]1[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCCN1C ZINC000343455729 445226183 /nfs/dbraw/zinc/22/61/83/445226183.db2.gz JQSNKNJZBXHVKB-MWLCHTKSSA-N 0 3 328.394 1.137 20 5 EDBDHN CN1CCN(CCCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347399590 445237254 /nfs/dbraw/zinc/23/72/54/445237254.db2.gz LQZSWTWXTJWEHY-UHFFFAOYSA-N 0 3 330.392 1.587 20 5 EDBDHN CCCN1CCC[C@@H]1CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000343567628 445245497 /nfs/dbraw/zinc/24/54/97/445245497.db2.gz JNGMOVRVMKUCIE-CQSZACIVSA-N 0 3 349.387 1.986 20 5 EDBDHN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C2CC2)C1 ZINC000348180936 445307489 /nfs/dbraw/zinc/30/74/89/445307489.db2.gz MXVIHXVSGNFYCA-MRXNPFEDSA-N 0 3 344.415 1.652 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@@H]1CCCOC1 ZINC000348144824 445288379 /nfs/dbraw/zinc/28/83/79/445288379.db2.gz RAPRZLXAETZHLG-VXGBXAGGSA-N 0 3 337.376 1.947 20 5 EDBDHN CN(C)CCOC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351893802 445360000 /nfs/dbraw/zinc/36/00/00/445360000.db2.gz LDCOACKYPOGITP-UHFFFAOYSA-N 0 3 339.367 1.917 20 5 EDBDHN COc1ccc(C(=O)Nc2cnc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000362633032 445471502 /nfs/dbraw/zinc/47/15/02/445471502.db2.gz CZPBSPWIDJARKX-UHFFFAOYSA-N 0 3 328.328 1.896 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC2(CO)Cc3ccccc3C2)c1 ZINC000363164376 445703634 /nfs/dbraw/zinc/70/36/34/445703634.db2.gz MRXGLJUAFFQXNE-QGZVFWFLSA-N 0 3 328.368 1.748 20 5 EDBDHN CN(C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000353800971 445761677 /nfs/dbraw/zinc/76/16/77/445761677.db2.gz HSNDRFZTBAZHAE-UHFFFAOYSA-N 0 3 339.367 1.917 20 5 EDBDHN CN(C)C(=O)CCN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353995619 445845318 /nfs/dbraw/zinc/84/53/18/445845318.db2.gz KILKRMIFOCTZNJ-ALCCZGGFSA-N 0 3 346.431 1.704 20 5 EDBDHN CCNC(=O)N1CC[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000583079698 325994979 /nfs/dbraw/zinc/99/49/79/325994979.db2.gz GUOPMUFTROIKJW-GFCCVEGCSA-N 0 3 349.391 1.317 20 5 EDBDHN COCCC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000584227640 326224512 /nfs/dbraw/zinc/22/45/12/326224512.db2.gz ZOLQRQFVEAXHOU-UHFFFAOYSA-N 0 3 342.417 1.775 20 5 EDBDHN CCO[C@@H]1COCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000362024280 446161040 /nfs/dbraw/zinc/16/10/40/446161040.db2.gz JJFTZCMWIXKHQZ-LSDHHAIUSA-N 0 3 337.376 1.341 20 5 EDBDHN CN1CCC(CC(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000365859045 446373530 /nfs/dbraw/zinc/37/35/30/446373530.db2.gz XBTMHWYCJVBYNR-AWEZNQCLSA-N 0 3 335.408 1.687 20 5 EDBDHN N[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000420419892 446593945 /nfs/dbraw/zinc/59/39/45/446593945.db2.gz MYZSXEMYESAIRQ-MRXNPFEDSA-N 0 3 349.412 1.757 20 5 EDBDHN COC(=O)CC[C@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423718095 446658222 /nfs/dbraw/zinc/65/82/22/446658222.db2.gz BUDOFKMDNHFNDI-ZDUSSCGKSA-N 0 3 335.360 1.366 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C[NH3+])C(C)(C)C)c1[N+](=O)[O-] ZINC000420450337 446626596 /nfs/dbraw/zinc/62/65/96/446626596.db2.gz PFEYRFDLBOSQIF-LLVKDONJSA-N 0 3 329.422 1.863 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC[C@@H](C)C1 ZINC000371110515 446633727 /nfs/dbraw/zinc/63/37/27/446633727.db2.gz ZDXBFHOZXONVCH-LBPRGKRZSA-N 0 3 337.376 1.900 20 5 EDBDHN Cc1nc([C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n[nH]1 ZINC000412029149 446792646 /nfs/dbraw/zinc/79/26/46/446792646.db2.gz NUZSRLDMHYFGNG-LLVKDONJSA-N 0 3 345.359 1.877 20 5 EDBDHN Cc1n[nH]c([C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000412029149 446792651 /nfs/dbraw/zinc/79/26/51/446792651.db2.gz NUZSRLDMHYFGNG-LLVKDONJSA-N 0 3 345.359 1.877 20 5 EDBDHN Cc1nnc([C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)[nH]1 ZINC000412029149 446792655 /nfs/dbraw/zinc/79/26/55/446792655.db2.gz NUZSRLDMHYFGNG-LLVKDONJSA-N 0 3 345.359 1.877 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420786274 446819748 /nfs/dbraw/zinc/81/97/48/446819748.db2.gz VGFPHBGSGCLAJJ-AWEZNQCLSA-N 0 3 336.392 1.839 20 5 EDBDHN Cc1nc(N2CCN(C3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000371461543 446872117 /nfs/dbraw/zinc/87/21/17/446872117.db2.gz YPPITSGXOMWXSB-CYBMUJFWSA-N 0 3 333.436 1.903 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CCCN(C)[C@@H]2C)c1F ZINC000412238571 446908117 /nfs/dbraw/zinc/90/81/17/446908117.db2.gz AOOPSHMEDKXTTL-ZYHUDNBSSA-N 0 3 339.367 1.884 20 5 EDBDHN CC(C)Oc1cc(C(=O)NC[C@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000412245293 446909528 /nfs/dbraw/zinc/90/95/28/446909528.db2.gz HQUHTUSAELQKSW-MRXNPFEDSA-N 0 3 337.376 1.178 20 5 EDBDHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000442580657 446910090 /nfs/dbraw/zinc/91/00/90/446910090.db2.gz QILLTVVBKWZXIC-UHFFFAOYSA-N 0 3 348.403 1.772 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000377197134 446985577 /nfs/dbraw/zinc/98/55/77/446985577.db2.gz PGZVXZYYMBHOJW-BZUAXINKSA-N 0 3 336.388 1.965 20 5 EDBDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000372806080 447292965 /nfs/dbraw/zinc/29/29/65/447292965.db2.gz PBOJIALUKPBQSH-PBHICJAKSA-N 0 3 331.372 1.641 20 5 EDBDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415506257 447485507 /nfs/dbraw/zinc/48/55/07/447485507.db2.gz ZOGHTTWOPBETAS-LLVKDONJSA-N 0 3 338.364 1.176 20 5 EDBDHN O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CCCN1CCCO ZINC000450600300 447536603 /nfs/dbraw/zinc/53/66/03/447536603.db2.gz VLLSAMINLLBDCD-CQSZACIVSA-N 0 3 330.388 2.402 20 5 EDBDHN COc1cc(C(=O)NC[C@@](C)(O)CCN(C)C)ccc1[N+](=O)[O-] ZINC000420044074 447564688 /nfs/dbraw/zinc/56/46/88/447564688.db2.gz PDWSRGGUUOKQFA-HNNXBMFYSA-N 0 3 325.365 1.036 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000416493836 447624757 /nfs/dbraw/zinc/62/47/57/447624757.db2.gz GOZKGUNVIIIMPT-GFCCVEGCSA-N 0 3 327.406 1.442 20 5 EDBDHN CC(COC(=O)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1)[N+](=O)[O-] ZINC000495953051 447671144 /nfs/dbraw/zinc/67/11/44/447671144.db2.gz WGYUBEABDWDLHM-AXFHLTTASA-N 0 3 332.353 1.267 20 5 EDBDHN O=C(CCN1CC[C@](O)(C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451432315 447732341 /nfs/dbraw/zinc/73/23/41/447732341.db2.gz OMWDGSZDHNQDNP-CQSZACIVSA-N 0 3 329.303 1.625 20 5 EDBDHN C[C@H]1C[C@@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCN1C ZINC000524688766 447940681 /nfs/dbraw/zinc/94/06/81/447940681.db2.gz HTLPALCSSPNRLC-UWVGGRQHSA-N 0 3 328.394 1.137 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CN1C1CC1 ZINC000530767563 447952601 /nfs/dbraw/zinc/95/26/01/447952601.db2.gz QGENBSLUEMYRHA-GHMZBOCLSA-N 0 3 347.371 1.721 20 5 EDBDHN CNc1nccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000575933701 447932973 /nfs/dbraw/zinc/93/29/73/447932973.db2.gz SODAPIPMONDXMY-YPMHNXCESA-N 0 3 333.392 1.588 20 5 EDBDHN CN[C@@H](C)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000570224790 447968133 /nfs/dbraw/zinc/96/81/33/447968133.db2.gz GKNGQFOHUOUWEN-AAEUAGOBSA-N 0 3 337.376 1.702 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Cl)cc2F)c1 ZINC000570274392 447973999 /nfs/dbraw/zinc/97/39/99/447973999.db2.gz RXULPKKINSXIRJ-GFCCVEGCSA-N 0 3 328.731 1.735 20 5 EDBDHN COC(=O)N[C@@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000497275233 448029047 /nfs/dbraw/zinc/02/90/47/448029047.db2.gz BGTBTMIGKIZAFS-AUTRQRHGSA-N 0 3 328.296 1.820 20 5 EDBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000507504298 448143634 /nfs/dbraw/zinc/14/36/34/448143634.db2.gz ITZZNSDYOZKHKB-YPMHNXCESA-N 0 3 329.360 1.883 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531823626 448153170 /nfs/dbraw/zinc/15/31/70/448153170.db2.gz KJKSTQQFXCUAPP-BXKDBHETSA-N 0 3 333.344 1.536 20 5 EDBDHN O=C(CN1CCNC[C@@H]1C(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000519156693 448747122 /nfs/dbraw/zinc/74/71/22/448747122.db2.gz FFLQVZPJLKCMBU-LLVKDONJSA-N 0 3 348.737 1.726 20 5 EDBDHN Cc1ccc(-c2nn(C)cc2CNCCn2cc([N+](=O)[O-])cn2)o1 ZINC000592365977 448806548 /nfs/dbraw/zinc/80/65/48/448806548.db2.gz NGSJVNHGQADHRG-UHFFFAOYSA-N 0 3 330.348 1.883 20 5 EDBDHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1(C)C ZINC000592562092 448901694 /nfs/dbraw/zinc/90/16/94/448901694.db2.gz CZUSUERAPLVCJW-RHSMWYFYSA-N 0 3 348.403 1.407 20 5 EDBDHN Cc1nn(C)cc1[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579891801 448903053 /nfs/dbraw/zinc/90/30/53/448903053.db2.gz HUONUQXIYOHJDQ-YPMHNXCESA-N 0 3 334.376 1.727 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000520824160 448934295 /nfs/dbraw/zinc/93/42/95/448934295.db2.gz PQNIPNFTZQSOIX-NSHDSACASA-N 0 3 335.360 1.438 20 5 EDBDHN CC(C)Oc1nc(NC[C@H]2CCCCN2CCO)ccc1[N+](=O)[O-] ZINC000582132512 449020759 /nfs/dbraw/zinc/02/07/59/449020759.db2.gz OTKULDJCLMSADX-CYBMUJFWSA-N 0 3 338.408 2.036 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000575344318 449083047 /nfs/dbraw/zinc/08/30/47/449083047.db2.gz YKXNTZIEXAPXTJ-ZDUSSCGKSA-N 0 3 348.403 1.608 20 5 EDBDHN O=C1[C@H](N[C@@H]2C[C@@H](O)C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595786104 449165015 /nfs/dbraw/zinc/16/50/15/449165015.db2.gz ZVVDCPDMUZSCCH-RBSFLKMASA-N 0 3 331.372 1.593 20 5 EDBDHN O=C(NC[C@H]1CCN1C1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600064617 449166825 /nfs/dbraw/zinc/16/68/25/449166825.db2.gz SWAOZKIELHMITD-OAHLLOKOSA-N 0 3 346.387 1.666 20 5 EDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000590589492 449205643 /nfs/dbraw/zinc/20/56/43/449205643.db2.gz OPFGONWRHQNAOX-SWLSCSKDSA-N 0 3 341.433 1.492 20 5 EDBDHN COc1ccc(NC(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595951450 449277448 /nfs/dbraw/zinc/27/74/48/449277448.db2.gz LSVJJJHBRMVMME-SECBINFHSA-N 0 3 331.332 1.656 20 5 EDBDHN Cc1c(CN)c(NC(=O)CCOc2ccccc2[N+](=O)[O-])nn1C ZINC000595959113 449282850 /nfs/dbraw/zinc/28/28/50/449282850.db2.gz BGFGTNQEDIAEFG-UHFFFAOYSA-N 0 3 333.348 1.503 20 5 EDBDHN Cc1c(CN)c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])nn1C ZINC000595960040 449283382 /nfs/dbraw/zinc/28/33/82/449283382.db2.gz SEIDCVFGZKSCOX-UHFFFAOYSA-N 0 3 332.364 1.170 20 5 EDBDHN CN(CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)CC(C)(C)C ZINC000602100739 449345767 /nfs/dbraw/zinc/34/57/67/449345767.db2.gz CTLDMANCSXULLT-ZDUSSCGKSA-N 0 3 349.435 1.981 20 5 EDBDHN Cn1cc(CNC[C@@H]2COCCN2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600776920 449543576 /nfs/dbraw/zinc/54/35/76/449543576.db2.gz SUFUFQGLIFIZKS-CQSZACIVSA-N 0 3 331.376 1.073 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](CN)C(F)(F)F ZINC000594532410 449564933 /nfs/dbraw/zinc/56/49/33/449564933.db2.gz RCEOMJPFRUYNQS-SECBINFHSA-N 0 3 348.281 1.156 20 5 EDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000601421315 449939004 /nfs/dbraw/zinc/93/90/04/449939004.db2.gz DYMRZFIRTXIBDS-ONGXEEELSA-N 0 3 347.824 1.961 20 5 EDBDHN COC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000615087209 449948582 /nfs/dbraw/zinc/94/85/82/449948582.db2.gz MFPKWBVZSMLDQS-CQSZACIVSA-N 0 3 337.376 1.565 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCCN(C)C2)cc1[N+](=O)[O-] ZINC000599411630 449957452 /nfs/dbraw/zinc/95/74/52/449957452.db2.gz AWOWYTCNLKYZAE-ZDUSSCGKSA-N 0 3 341.433 1.913 20 5 EDBDHN CN1CCCC[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000599415408 449961586 /nfs/dbraw/zinc/96/15/86/449961586.db2.gz OGXSQIAGJGVGNS-CYBMUJFWSA-N 0 3 341.433 1.746 20 5 EDBDHN CCN(CCO)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601455986 449979627 /nfs/dbraw/zinc/97/96/27/449979627.db2.gz YMXWVWHSLYEIKH-UHFFFAOYSA-N 0 3 335.404 1.447 20 5 EDBDHN CCc1n[nH]c(C(=O)N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000609463372 450032191 /nfs/dbraw/zinc/03/21/91/450032191.db2.gz ZGIYJNGORLJKMV-UHFFFAOYSA-N 0 3 330.348 1.238 20 5 EDBDHN CCc1[nH]nc(C(=O)N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000609463372 450032197 /nfs/dbraw/zinc/03/21/97/450032197.db2.gz ZGIYJNGORLJKMV-UHFFFAOYSA-N 0 3 330.348 1.238 20 5 EDBDHN CN1CCC[C@@H](N2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000595372846 450085470 /nfs/dbraw/zinc/08/54/70/450085470.db2.gz WLHXTKGBZVOFLE-MRXNPFEDSA-N 0 3 336.411 1.946 20 5 EDBDHN CN(C)CCc1cn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)nn1 ZINC000603171876 450110245 /nfs/dbraw/zinc/11/02/45/450110245.db2.gz OUQFXWSFWCBNQI-UHFFFAOYSA-N 0 3 333.348 1.205 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CN1C1CC1 ZINC000610653946 450285281 /nfs/dbraw/zinc/28/52/81/450285281.db2.gz PPUWJGYMHYUNAE-QWRGUYRKSA-N 0 3 347.371 1.721 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CC(NS(C)(=O)=O)C1 ZINC000619748013 450325376 /nfs/dbraw/zinc/32/53/76/450325376.db2.gz QUDLNGMCTFVWSC-UHFFFAOYSA-N 0 3 343.405 1.163 20 5 EDBDHN CO[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000619429030 450471742 /nfs/dbraw/zinc/47/17/42/450471742.db2.gz OIINTTDLSPGGOX-OCCSQVGLSA-N 0 3 342.417 1.916 20 5 EDBDHN CCCN1CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000129739424 528203646 /nfs/dbraw/zinc/20/36/46/528203646.db2.gz ZKMGDFSKOUPLLG-UHFFFAOYSA-N 0 3 341.433 1.889 20 5 EDBDHN CCOc1ccccc1[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000271740247 535540669 /nfs/dbraw/zinc/54/06/69/535540669.db2.gz ILNWMBPLXZNHQX-OCCSQVGLSA-N 0 3 334.376 1.902 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N2CCC[C@H]2CN(C)C)cc([N+](=O)[O-])c1 ZINC000263925648 535675643 /nfs/dbraw/zinc/67/56/43/535675643.db2.gz RSANZGQGBNXKIC-AWEZNQCLSA-N 0 3 349.387 1.938 20 5 EDBDHN C[NH2+][C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000261834628 536343862 /nfs/dbraw/zinc/34/38/62/536343862.db2.gz VRFMMHQIEJFGTF-ZETCQYMHSA-N 0 3 341.311 1.500 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332093960 536363925 /nfs/dbraw/zinc/36/39/25/536363925.db2.gz BFHDXCFWRPVPTN-ILXRZTDVSA-N 0 3 346.387 1.204 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000743982062 579496875 /nfs/dbraw/zinc/49/68/75/579496875.db2.gz NSCVOVAUTKYLDY-LBPRGKRZSA-N 0 3 334.376 1.442 20 5 EDBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CCCC2)C1 ZINC000727108365 578518859 /nfs/dbraw/zinc/51/88/59/578518859.db2.gz AVAOQHQZCUBDJF-HNNXBMFYSA-N 0 3 343.387 1.641 20 5 EDBDHN COC(=O)/C=C\c1ccc(NC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000762816262 580084417 /nfs/dbraw/zinc/08/44/17/580084417.db2.gz OBHPAEYJYUTEPU-LEXSJLIMSA-N 0 3 335.360 1.260 20 5 EDBDHN CS[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000772848652 580321799 /nfs/dbraw/zinc/32/17/99/580321799.db2.gz XBQBWTZIZJJATB-STQMWFEESA-N 0 3 327.381 1.852 20 5 EDBDHN O=C(C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000776576012 580421763 /nfs/dbraw/zinc/42/17/63/580421763.db2.gz ZKKWMIPPXAGEOZ-QGZVFWFLSA-N 0 3 347.415 1.963 20 5 EDBDHN COC(=O)[C@H]1CC12CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776583396 580422191 /nfs/dbraw/zinc/42/21/91/580422191.db2.gz FJMKTZKWBSUQFX-HUUCEWRRSA-N 0 3 334.372 1.903 20 5 EDBDHN C[C@]1(NC(=O)CCOc2ccccc2[N+](=O)[O-])CN2CCC1CC2 ZINC000892795222 591182489 /nfs/dbraw/zinc/18/24/89/591182489.db2.gz ZLVVQHJVQQFUFC-KRWDZBQOSA-N 0 3 333.388 1.964 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000892928929 591228199 /nfs/dbraw/zinc/22/81/99/591228199.db2.gz BVVMSMMILKLFBW-WFASDCNBSA-N 0 3 334.376 1.319 20 5 EDBDHN CCC[C@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1 ZINC000895058416 591552194 /nfs/dbraw/zinc/55/21/94/591552194.db2.gz KWMXOZQJZGCXIR-NSHDSACASA-N 0 3 327.406 1.577 20 5 EDBDHN C[C@H]1CCCN1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000898038127 591764862 /nfs/dbraw/zinc/76/48/62/591764862.db2.gz GSGXPIWTRWVKHA-LBPRGKRZSA-N 0 3 349.387 1.970 20 5 EDBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)CCO ZINC000899737877 591926642 /nfs/dbraw/zinc/92/66/42/591926642.db2.gz RUCJBGSOILTGAZ-UHFFFAOYSA-N 0 3 341.433 1.751 20 5 EDBDHN COCC[C@@H]1CNCCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000900440887 592018885 /nfs/dbraw/zinc/01/88/85/592018885.db2.gz RUEZCIJRRNHSNP-CQSZACIVSA-N 0 3 348.403 1.302 20 5 EDBDHN CN1CCOC[C@@]1(CO)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903279742 592151343 /nfs/dbraw/zinc/15/13/43/592151343.db2.gz RVLPGNXMBUAOLM-WMZOPIPTSA-N 0 3 349.431 1.600 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)C[C@@]2(O)CCCN(C)C2)cc1[N+](=O)[O-] ZINC000900966929 592187413 /nfs/dbraw/zinc/18/74/13/592187413.db2.gz IPDGNPIXAIDAOD-DYVFJYSZSA-N 0 3 335.404 1.927 20 5 EDBDHN COC[C@H]1CNCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903875927 592356806 /nfs/dbraw/zinc/35/68/06/592356806.db2.gz UBKHESDNZXSNSX-LLVKDONJSA-N 0 3 342.783 1.107 20 5 EDBDHN CN(C)C[C@@H](CO)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908199431 592377464 /nfs/dbraw/zinc/37/74/64/592377464.db2.gz DYRAQILPZSWIJV-NSHDSACASA-N 0 3 329.784 1.220 20 5 EDBDHN CN1CCC[C@@](O)(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000907655161 592744646 /nfs/dbraw/zinc/74/46/46/592744646.db2.gz WTSYSYNJPNNIFF-QGZVFWFLSA-N 0 3 349.387 1.031 20 5 EDBDHN CCN1CC[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000910471275 592868067 /nfs/dbraw/zinc/86/80/67/592868067.db2.gz AJFBDEFAGAJPCF-LLVKDONJSA-N 0 3 335.360 1.580 20 5 EDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC000839481876 593305658 /nfs/dbraw/zinc/30/56/58/593305658.db2.gz UBUMHWCGVOSSJE-CQSZACIVSA-N 0 3 334.376 1.524 20 5 EDBDHN CC(COC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[N+](=O)[O-] ZINC000813099793 593517527 /nfs/dbraw/zinc/51/75/27/593517527.db2.gz CYJHZPKPNCWGHO-QWRGUYRKSA-N 0 3 344.389 1.249 20 5 EDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc2cnccc21 ZINC000813112377 593518587 /nfs/dbraw/zinc/51/85/87/593518587.db2.gz GEUSFQYGCZUZBC-SNVBAGLBSA-N 0 3 341.327 1.946 20 5 EDBDHN CCN1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816974569 593566460 /nfs/dbraw/zinc/56/64/60/593566460.db2.gz GXKUDVUJBRALDQ-UHFFFAOYSA-N 0 3 340.811 1.616 20 5 EDBDHN C[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601222 593643968 /nfs/dbraw/zinc/64/39/68/593643968.db2.gz QKJJJKDURYSMPW-ITDIGPHOSA-N 0 3 336.392 1.463 20 5 EDBDHN CS(=O)(=O)C1(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000819276564 593748199 /nfs/dbraw/zinc/74/81/99/593748199.db2.gz OORCIZPWEAHVRV-CYBMUJFWSA-N 0 3 328.390 1.185 20 5 EDBDHN CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1C ZINC000825451247 594187147 /nfs/dbraw/zinc/18/71/47/594187147.db2.gz HMXUAPIPOROPMD-WDEREUQCSA-N 0 3 331.380 1.694 20 5 EDBDHN CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1C ZINC000825451247 594187148 /nfs/dbraw/zinc/18/71/48/594187148.db2.gz HMXUAPIPOROPMD-WDEREUQCSA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@@H](C1CC1)N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000823430051 594200937 /nfs/dbraw/zinc/20/09/37/594200937.db2.gz IFIKCSNHVBZKDR-AWEZNQCLSA-N 0 3 346.431 1.974 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000826685009 594554894 /nfs/dbraw/zinc/55/48/94/594554894.db2.gz DHGXNDMKDUGZQS-SNVBAGLBSA-N 0 3 337.336 1.059 20 5 EDBDHN O=C(NC[C@H]1CCCCN1C1CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831158891 594571860 /nfs/dbraw/zinc/57/18/60/594571860.db2.gz NHLWZXFONMCGPY-CVEARBPZSA-N 0 3 333.388 1.761 20 5 EDBDHN CC(C)(CCC(=O)N1CC[C@H](OCCN2CCCCC2)C1)[N+](=O)[O-] ZINC000826902858 594598841 /nfs/dbraw/zinc/59/88/41/594598841.db2.gz MEIFANLORZESKV-HNNXBMFYSA-N 0 3 341.452 1.925 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000832226115 594736788 /nfs/dbraw/zinc/73/67/88/594736788.db2.gz UNOSXLQUVLVHDE-CABCVRRESA-N 0 3 345.399 1.968 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000832690429 594769290 /nfs/dbraw/zinc/76/92/90/594769290.db2.gz GXTXJCQGXZUAJM-QMTHXVAHSA-N 0 3 334.332 1.588 20 5 EDBDHN CCC(=O)N[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874330 595085766 /nfs/dbraw/zinc/08/57/66/595085766.db2.gz HPFFIEYXWGQAMM-ISTVAULSSA-N 0 3 326.324 1.990 20 5 EDBDHN CC(COC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000842364188 595086723 /nfs/dbraw/zinc/08/67/23/595086723.db2.gz SMVHVCHJRSSIHX-YPMHNXCESA-N 0 3 338.335 1.425 20 5 EDBDHN CCCC(=O)NCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845880539 595087051 /nfs/dbraw/zinc/08/70/51/595087051.db2.gz ZYNWRNPYTFTSQT-ZUZCIYMTSA-N 0 3 326.324 1.992 20 5 EDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN1CCCO ZINC000843899158 595211865 /nfs/dbraw/zinc/21/18/65/595211865.db2.gz YEWUMGAAPKZOBU-LBPRGKRZSA-N 0 3 339.367 1.619 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000842878685 595223830 /nfs/dbraw/zinc/22/38/30/595223830.db2.gz OFDFXXYMOCRELD-VIFPVBQESA-N 0 3 335.813 1.962 20 5 EDBDHN CC(COC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)[N+](=O)[O-] ZINC000851037581 595710750 /nfs/dbraw/zinc/71/07/50/595710750.db2.gz XARUYDAYIWYLIK-ZETCQYMHSA-N 0 3 341.263 1.802 20 5 EDBDHN COCCN1CCC[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865522207 596599447 /nfs/dbraw/zinc/59/94/47/596599447.db2.gz NTQVPWXNSCGUJQ-LBPRGKRZSA-N 0 3 327.356 1.749 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000874253608 596987523 /nfs/dbraw/zinc/98/75/23/596987523.db2.gz SXUKDTALYHHWQW-ZIAGYGMSSA-N 0 3 333.388 1.805 20 5 EDBDHN CC(C)(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000876531113 597231424 /nfs/dbraw/zinc/23/14/24/597231424.db2.gz VKQQCGSMTDKKDM-UHFFFAOYSA-N 0 3 348.447 1.828 20 5 EDBDHN CN1CCC[C@@H]2[C@@H]1CCN2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880137850 597853115 /nfs/dbraw/zinc/85/31/15/597853115.db2.gz LNPRTRQDYWRDGR-JKSUJKDBSA-N 0 3 344.415 1.652 20 5 EDBDHN CC1(N2CCC2)CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000882767345 598050196 /nfs/dbraw/zinc/05/01/96/598050196.db2.gz KOYFVGZLWWYLPC-UHFFFAOYSA-N 0 3 340.405 1.239 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CC3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000738369218 598504334 /nfs/dbraw/zinc/50/43/34/598504334.db2.gz JLQGLMNVZBQKRJ-JTQLQIEISA-N 0 3 330.352 1.066 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](CC3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000738369218 598504335 /nfs/dbraw/zinc/50/43/35/598504335.db2.gz JLQGLMNVZBQKRJ-JTQLQIEISA-N 0 3 330.352 1.066 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CC3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000738369218 598504336 /nfs/dbraw/zinc/50/43/36/598504336.db2.gz JLQGLMNVZBQKRJ-JTQLQIEISA-N 0 3 330.352 1.066 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](CC3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000738369218 598504337 /nfs/dbraw/zinc/50/43/37/598504337.db2.gz JLQGLMNVZBQKRJ-JTQLQIEISA-N 0 3 330.352 1.066 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)CC2CCC2)CC1 ZINC000940028508 700127338 /nfs/dbraw/zinc/12/73/38/700127338.db2.gz AQQYFZCEBDGGAZ-UHFFFAOYSA-N 0 3 349.435 1.989 20 5 EDBDHN Cc1ccc([C@H](C)NC[C@H](O)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000557584989 306230012 /nfs/dbraw/zinc/23/00/12/306230012.db2.gz JZMALWYZSGMPEE-HOCLYGCPSA-N 0 3 336.436 1.162 20 5 EDBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000152921105 529808996 /nfs/dbraw/zinc/80/89/96/529808996.db2.gz ZFWHBYMYIWHWFY-DOMZBBRYSA-N 0 3 339.417 1.700 20 5 EDBDHN O=Cc1ccc(OCC(=O)N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000068349834 215301199 /nfs/dbraw/zinc/30/11/99/215301199.db2.gz MWMGGCXRGWQLLX-CQSZACIVSA-N 0 3 347.371 1.483 20 5 EDBDHN CN(CC1CCN(C)CC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000103531863 219312780 /nfs/dbraw/zinc/31/27/80/219312780.db2.gz IGNXFIQCFFNHQY-UHFFFAOYSA-N 0 3 348.403 1.125 20 5 EDBDHN O=[N+]([O-])c1cnn(CCNCc2cncc(Br)c2)c1 ZINC000183737183 235211168 /nfs/dbraw/zinc/21/11/68/235211168.db2.gz OPMWVIINDUDPQZ-UHFFFAOYSA-N 0 3 326.154 1.739 20 5 EDBDHN O=[N+]([O-])c1c(NCC2CCN(CCO)CC2)nc2sccn21 ZINC000105791654 138301802 /nfs/dbraw/zinc/30/18/02/138301802.db2.gz YKEVVYCEAUDHOF-UHFFFAOYSA-N 0 3 325.394 1.420 20 5 EDBDHN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)N(C)C ZINC000187253182 236158301 /nfs/dbraw/zinc/15/83/01/236158301.db2.gz RRHZFORSLXOHGC-BLLLJJGKSA-N 0 3 331.376 1.599 20 5 EDBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000173463174 237261288 /nfs/dbraw/zinc/26/12/88/237261288.db2.gz YVDBNJSDYSUUBD-CQSZACIVSA-N 0 3 347.419 1.925 20 5 EDBDHN COc1cccc([N+](=O)[O-])c1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000565489695 306385097 /nfs/dbraw/zinc/38/50/97/306385097.db2.gz BTYHALVNJZBZSI-CQSZACIVSA-N 0 3 348.403 1.346 20 5 EDBDHN CN(C)CCn1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])n1 ZINC000566017997 306396773 /nfs/dbraw/zinc/39/67/73/306396773.db2.gz RFZUDYXKJAKDQJ-UHFFFAOYSA-N 0 3 346.391 1.195 20 5 EDBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000567419801 306451056 /nfs/dbraw/zinc/45/10/56/306451056.db2.gz DNZKRDKIPPPUSG-ZDUSSCGKSA-N 0 3 333.348 1.359 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000261687427 139217589 /nfs/dbraw/zinc/21/75/89/139217589.db2.gz ISYPYEFQMNCLGL-QWRGUYRKSA-N 0 3 343.405 1.270 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]C2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000262518881 139283825 /nfs/dbraw/zinc/28/38/25/139283825.db2.gz NUJJWRQVNCPZIN-UHFFFAOYSA-N 0 3 329.378 1.024 20 5 EDBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC000423994578 252110784 /nfs/dbraw/zinc/11/07/84/252110784.db2.gz ISOPZWYLGMUETH-JTQLQIEISA-N 0 3 345.808 1.445 20 5 EDBDHN Cc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000112549358 220347814 /nfs/dbraw/zinc/34/78/14/220347814.db2.gz QXFMAIPIFPVCRB-ZWNOBZJWSA-N 0 3 344.375 1.426 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000154085827 224200397 /nfs/dbraw/zinc/20/03/97/224200397.db2.gz WIBCOVGWKQBJTP-YPMHNXCESA-N 0 3 329.360 1.711 20 5 EDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264128965 139381913 /nfs/dbraw/zinc/38/19/13/139381913.db2.gz LZQBYVHBYOKLMX-GFCCVEGCSA-N 0 3 329.422 1.745 20 5 EDBDHN COCCCN(C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270233492 140064529 /nfs/dbraw/zinc/06/45/29/140064529.db2.gz AYWFTBKSZQESEJ-UHFFFAOYSA-N 0 3 338.408 1.405 20 5 EDBDHN Cc1cc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc([N+](=O)[O-])c1 ZINC000270307927 140077158 /nfs/dbraw/zinc/07/71/58/140077158.db2.gz ZLXLBMJBDLTANS-UHFFFAOYSA-N 0 3 344.371 1.879 20 5 EDBDHN Cc1ccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000271674330 140331647 /nfs/dbraw/zinc/33/16/47/140331647.db2.gz ADVOQNIYYOSJRG-FZMZJTMJSA-N 0 3 349.347 1.720 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H](O)Cc2ccccc2)c1 ZINC000572001532 306579335 /nfs/dbraw/zinc/57/93/35/306579335.db2.gz HQRVFDCUFLGFSO-IAGOWNOFSA-N 0 3 346.383 1.528 20 5 EDBDHN CCCN1CCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331971658 141104887 /nfs/dbraw/zinc/10/48/87/141104887.db2.gz URJUUZBQKAGZOJ-CQSZACIVSA-N 0 3 335.408 1.829 20 5 EDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c1 ZINC000332057092 141116240 /nfs/dbraw/zinc/11/62/40/141116240.db2.gz PATKBMNFKKUTBQ-LSDHHAIUSA-N 0 3 339.417 1.641 20 5 EDBDHN CCN1CCCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332498297 141191187 /nfs/dbraw/zinc/19/11/87/141191187.db2.gz QLWQVBVAIDTBMC-LBPRGKRZSA-N 0 3 349.387 1.970 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](O)CC1 ZINC000339778707 142153290 /nfs/dbraw/zinc/15/32/90/142153290.db2.gz DWISSCPYALQDPA-ZDUSSCGKSA-N 0 3 335.360 1.740 20 5 EDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000345810571 143136007 /nfs/dbraw/zinc/13/60/07/143136007.db2.gz AJPCOJLLYKTVAP-NWDGAFQWSA-N 0 3 337.376 1.616 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000572964868 306605890 /nfs/dbraw/zinc/60/58/90/306605890.db2.gz QEDQCZCFJKLZEY-CYBMUJFWSA-N 0 3 348.403 1.751 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCS(=O)(=O)N(C)C ZINC000353129886 149298547 /nfs/dbraw/zinc/29/85/47/149298547.db2.gz UGTCJOAZPYVWJP-XFXZXTDPSA-N 0 3 327.406 1.479 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000353211487 149326069 /nfs/dbraw/zinc/32/60/69/149326069.db2.gz UFBQKZAWOGKMRM-SDWAUSNYSA-N 0 3 344.389 1.003 20 5 EDBDHN COCCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000355111728 150121928 /nfs/dbraw/zinc/12/19/28/150121928.db2.gz XUYUXESONIGWDN-UHFFFAOYSA-N 0 3 337.376 1.444 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000355339207 150224057 /nfs/dbraw/zinc/22/40/57/150224057.db2.gz GYMMZPISXZGHHQ-IRXDYDNUSA-N 0 3 347.415 1.849 20 5 EDBDHN CCOC(=O)[C@@](C)(O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000357438061 151032582 /nfs/dbraw/zinc/03/25/82/151032582.db2.gz HTQNFXPMIBERPZ-INIZCTEOSA-N 0 3 333.344 1.599 20 5 EDBDHN C[C@@H](NCCn1nc2ccccn2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000358099670 151270718 /nfs/dbraw/zinc/27/07/18/151270718.db2.gz OYSDWTWGAYGYHP-GFCCVEGCSA-N 0 3 327.344 1.755 20 5 EDBDHN CN1CC[C@@](O)(CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000358335111 151341250 /nfs/dbraw/zinc/34/12/50/151341250.db2.gz YSFZNCLOBHUIDZ-LLVKDONJSA-N 0 3 331.170 1.231 20 5 EDBDHN O=C1CC[C@@H](NCCn2cc([N+](=O)[O-])cn2)c2cc(F)ccc2N1 ZINC000360710628 152164745 /nfs/dbraw/zinc/16/47/45/152164745.db2.gz IBXYDBZOZSEQHT-CYBMUJFWSA-N 0 3 333.323 1.994 20 5 EDBDHN CN(C(=O)CN1CC[C@H]2CCN(C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370148814 155348029 /nfs/dbraw/zinc/34/80/29/155348029.db2.gz CMXMHNIFFKHNPC-CZUORRHYSA-N 0 3 332.404 1.584 20 5 EDBDHN NC(=O)c1ccc(CN2CCC[C@@H](c3nc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000363642249 153020176 /nfs/dbraw/zinc/02/01/76/153020176.db2.gz XSOCNCITGHWYRT-GFCCVEGCSA-N 0 3 330.348 1.191 20 5 EDBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000372337753 156341714 /nfs/dbraw/zinc/34/17/14/156341714.db2.gz DZJSLJBUMKELJD-ZDUSSCGKSA-N 0 3 329.360 1.664 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1c2ccccc2CC[C@@H]1CO ZINC000373810984 157014203 /nfs/dbraw/zinc/01/42/03/157014203.db2.gz CXSRMLDAMLLAFB-KDOFPFPSSA-N 0 3 343.383 1.642 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCN1CCCC1=O ZINC000112703658 287341407 /nfs/dbraw/zinc/34/14/07/287341407.db2.gz DASKFLKYKBAXFH-UHFFFAOYSA-N 0 3 348.403 1.786 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000160241728 225370417 /nfs/dbraw/zinc/37/04/17/225370417.db2.gz GXUKZQVALDRGIV-YPMHNXCESA-N 0 3 328.376 1.899 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122241438 222045126 /nfs/dbraw/zinc/04/51/26/222045126.db2.gz OIDXRXDOSBJZJS-AWEZNQCLSA-N 0 3 334.420 1.598 20 5 EDBDHN Cc1nn(C)c(NCc2ccccc2CN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000273262366 268008412 /nfs/dbraw/zinc/00/84/12/268008412.db2.gz WDNRAPIYNSYURG-HNNXBMFYSA-N 0 3 345.403 1.815 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000273518871 268056463 /nfs/dbraw/zinc/05/64/63/268056463.db2.gz PCMSIKBCIGBREA-WDEREUQCSA-N 0 3 339.421 1.278 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000273518871 268056465 /nfs/dbraw/zinc/05/64/65/268056465.db2.gz PCMSIKBCIGBREA-WDEREUQCSA-N 0 3 339.421 1.278 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000276010468 268390786 /nfs/dbraw/zinc/39/07/86/268390786.db2.gz HDJZKLZDEPCHSJ-LBPRGKRZSA-N 0 3 346.387 1.608 20 5 EDBDHN CCN(CCO)CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274418964 273089018 /nfs/dbraw/zinc/08/90/18/273089018.db2.gz NVUVBUYKASJATE-UHFFFAOYSA-N 0 3 326.353 1.039 20 5 EDBDHN CN(CC(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000173007164 272932907 /nfs/dbraw/zinc/93/29/07/272932907.db2.gz SOEWCPNAFSRCRS-AWEZNQCLSA-N 0 3 332.404 1.728 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000377121592 273999032 /nfs/dbraw/zinc/99/90/32/273999032.db2.gz WHBYTODYQUTLLN-LBPRGKRZSA-N 0 3 334.376 1.759 20 5 EDBDHN CCOc1cc(CN2CCO[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000284818520 274344993 /nfs/dbraw/zinc/34/49/93/274344993.db2.gz LMTHXFDRFBSGBE-CVEARBPZSA-N 0 3 335.404 1.898 20 5 EDBDHN COCCN1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255135455 287831121 /nfs/dbraw/zinc/83/11/21/287831121.db2.gz BPXVLLBZKHQABF-DAXSKMNVSA-N 0 3 333.388 1.835 20 5 EDBDHN CCO[C@H]1C[C@@](N)(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186725634 276363481 /nfs/dbraw/zinc/36/34/81/276363481.db2.gz ZTKJWFXYRJKFHZ-WMLDXEAASA-N 0 3 335.404 1.786 20 5 EDBDHN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420427298 278250704 /nfs/dbraw/zinc/25/07/04/278250704.db2.gz QYCLHNWXMQDRAQ-LURJTMIESA-N 0 3 327.284 1.239 20 5 EDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000359990811 279120219 /nfs/dbraw/zinc/12/02/19/279120219.db2.gz DLLAWLGYGOASGW-GFCCVEGCSA-N 0 3 329.422 1.745 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCCCC3)C2)n1 ZINC000287218326 288183736 /nfs/dbraw/zinc/18/37/36/288183736.db2.gz IPWLHKOMGOBARJ-LBPRGKRZSA-N 0 3 334.376 1.841 20 5 EDBDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000236821838 282075972 /nfs/dbraw/zinc/07/59/72/282075972.db2.gz MWJCKGQVKFMSHX-UHFFFAOYSA-N 0 3 331.394 1.399 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000292295714 289308963 /nfs/dbraw/zinc/30/89/63/289308963.db2.gz NKMWEBWPFUBILH-INIZCTEOSA-N 0 3 334.376 1.617 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000293769907 303016115 /nfs/dbraw/zinc/01/61/15/303016115.db2.gz VSORGAUMKAXBBC-QMTHXVAHSA-N 0 3 341.795 1.775 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000295344981 303207465 /nfs/dbraw/zinc/20/74/65/303207465.db2.gz NRENRTSWTPDPKW-INIZCTEOSA-N 0 3 348.359 1.979 20 5 EDBDHN N[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1F ZINC000424041039 304926096 /nfs/dbraw/zinc/92/60/96/304926096.db2.gz SIFBAEAHOFNFDR-DZGCQCFKSA-N 0 3 347.350 1.274 20 5 EDBDHN COc1cc(CNC[C@]2(O)CCO[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000433203514 305102972 /nfs/dbraw/zinc/10/29/72/305102972.db2.gz CBAOXMMKMARGLV-MEBBXXQBSA-N 0 3 326.349 1.242 20 5 EDBDHN COc1ccc(CNC(=O)C[C@@H]2CSCCN2)cc1[N+](=O)[O-] ZINC000434874723 305131956 /nfs/dbraw/zinc/13/19/56/305131956.db2.gz QQYGLXXWIRZGGX-LLVKDONJSA-N 0 3 325.390 1.315 20 5 EDBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCN2CCC[C@@H]2C1 ZINC000448923306 305304264 /nfs/dbraw/zinc/30/42/64/305304264.db2.gz UJRZCFOWHDCQSI-CQSZACIVSA-N 0 3 341.371 1.905 20 5 EDBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)(C)C(N)=O ZINC000451133903 305332182 /nfs/dbraw/zinc/33/21/82/305332182.db2.gz FKELWYDTAPKVSW-UHFFFAOYSA-N 0 3 336.348 1.089 20 5 EDBDHN CO[C@@H]1C[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451512430 305350389 /nfs/dbraw/zinc/35/03/89/305350389.db2.gz XNNKHAOREMUYAD-LSDHHAIUSA-N 0 3 333.388 1.887 20 5 EDBDHN CS[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000539198952 306034845 /nfs/dbraw/zinc/03/48/45/306034845.db2.gz XULBFQGSRMSMFD-KGLIPLIRSA-N 0 3 349.416 1.725 20 5 EDBDHN CN1CCNC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414970517 447380682 /nfs/dbraw/zinc/38/06/82/447380682.db2.gz UZIXWXVOZSMXIN-LBPRGKRZSA-N 0 3 330.335 1.189 20 5 EDBDHN COc1cc(C(=O)N[C@@H]2CNCCC2(F)F)cc([N+](=O)[O-])c1OC ZINC000449670700 447382795 /nfs/dbraw/zinc/38/27/95/447382795.db2.gz XUXXSKIVUUDKQZ-LLVKDONJSA-N 0 3 345.302 1.339 20 5 EDBDHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104748834 441204129 /nfs/dbraw/zinc/20/41/29/441204129.db2.gz YOXQCZUHBMGMOX-SNVBAGLBSA-N 0 3 347.824 1.820 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000104748197 441204269 /nfs/dbraw/zinc/20/42/69/441204269.db2.gz CMDOYBVNWQVLAF-LBPRGKRZSA-N 0 3 327.406 1.475 20 5 EDBDHN COCCN1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000104867589 441217391 /nfs/dbraw/zinc/21/73/91/441217391.db2.gz RDFKBDXTYXVQAL-UHFFFAOYSA-N 0 3 336.392 1.326 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000073842138 441359335 /nfs/dbraw/zinc/35/93/35/441359335.db2.gz XXWHJBVIVIAORF-GFCCVEGCSA-N 0 3 339.417 1.666 20 5 EDBDHN CCN1CCN([C@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107370492 441413802 /nfs/dbraw/zinc/41/38/02/441413802.db2.gz UYVVTYFODDNMOU-KRWDZBQOSA-N 0 3 348.447 1.685 20 5 EDBDHN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000108406633 441451921 /nfs/dbraw/zinc/45/19/21/441451921.db2.gz AAZVEORWNUYXMB-NSHDSACASA-N 0 3 343.405 1.224 20 5 EDBDHN COCCCN(CCOC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000054365506 441574008 /nfs/dbraw/zinc/57/40/08/441574008.db2.gz KIYCCWKWJKMPKD-HNNXBMFYSA-N 0 3 342.392 1.319 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067274395 441623166 /nfs/dbraw/zinc/62/31/66/441623166.db2.gz LOWHRNGAQDYKER-AWEZNQCLSA-N 0 3 344.375 1.342 20 5 EDBDHN CCN1CCN(CCNc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000092606284 441812423 /nfs/dbraw/zinc/81/24/23/441812423.db2.gz XMWJSJVFNRQTKD-UHFFFAOYSA-N 0 3 326.372 1.792 20 5 EDBDHN [NH3+][C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125108590 441985014 /nfs/dbraw/zinc/98/50/14/441985014.db2.gz XTJJDFKXPCEQSD-IUCAKERBSA-N 0 3 333.797 1.796 20 5 EDBDHN Cc1c(Br)cc(C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000162735046 442118762 /nfs/dbraw/zinc/11/87/62/442118762.db2.gz LNWURZGHNXNTNH-UHFFFAOYSA-N 0 3 330.182 1.957 20 5 EDBDHN Cc1nn(C)c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000128561653 442275059 /nfs/dbraw/zinc/27/50/59/442275059.db2.gz UQGJWRJPAXACPK-GRYCIOLGSA-N 0 3 337.424 1.733 20 5 EDBDHN COc1cc(OCC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177168792 442308787 /nfs/dbraw/zinc/30/87/87/442308787.db2.gz BTKGRHSNGDSLNF-NEPJUHHUSA-N 0 3 349.387 1.724 20 5 EDBDHN COc1cc(OCC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177168821 442308839 /nfs/dbraw/zinc/30/88/39/442308839.db2.gz BTKGRHSNGDSLNF-VXGBXAGGSA-N 0 3 349.387 1.724 20 5 EDBDHN C[C@H]1CCCC[C@]1(C[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000178980485 442543842 /nfs/dbraw/zinc/54/38/42/442543842.db2.gz OYSJNRNVOOXUPZ-SMDDNHRTSA-N 0 3 327.406 1.781 20 5 EDBDHN CC(=O)Nc1cccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000193430135 442742272 /nfs/dbraw/zinc/74/22/72/442742272.db2.gz NMUXYISJDSTYHN-ZBEGNZNMSA-N 0 3 347.375 1.461 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000265815942 442931910 /nfs/dbraw/zinc/93/19/10/442931910.db2.gz VPQAYRXTPQTPBG-HUUCEWRRSA-N 0 3 345.403 1.623 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249188899 442958652 /nfs/dbraw/zinc/95/86/52/442958652.db2.gz OUJIXROEIAPZCU-OCCSQVGLSA-N 0 3 348.403 1.640 20 5 EDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000189467069 442961363 /nfs/dbraw/zinc/96/13/63/442961363.db2.gz FYXFAMZOVRGARD-CQSZACIVSA-N 0 3 337.420 1.751 20 5 EDBDHN COCCCN(C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000265960984 442985711 /nfs/dbraw/zinc/98/57/11/442985711.db2.gz GQXUYBRGQLXPMC-UHFFFAOYSA-N 0 3 334.376 1.774 20 5 EDBDHN CC[C@@H](C)N1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000296237927 318678475 /nfs/dbraw/zinc/67/84/75/318678475.db2.gz WWVQWGNDLIYBRN-CQSZACIVSA-N 0 3 346.431 1.900 20 5 EDBDHN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000266158598 443039230 /nfs/dbraw/zinc/03/92/30/443039230.db2.gz GUUFTWZHQSHNPB-SECBINFHSA-N 0 3 335.813 1.867 20 5 EDBDHN CN(C)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000298204965 318800329 /nfs/dbraw/zinc/80/03/29/318800329.db2.gz OHMZTGSAWYMKMT-UHFFFAOYSA-N 0 3 342.421 1.353 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000185627071 443229692 /nfs/dbraw/zinc/22/96/92/443229692.db2.gz YHGUZARJFJJNID-AWEZNQCLSA-N 0 3 349.435 1.420 20 5 EDBDHN COc1cc(CN[C@H](CO)[C@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000411986332 319218691 /nfs/dbraw/zinc/21/86/91/319218691.db2.gz KJZNQJGCINBIRK-GXFFZTMASA-N 0 3 328.340 1.620 20 5 EDBDHN CN1CCC(O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000267013037 443313534 /nfs/dbraw/zinc/31/35/34/443313534.db2.gz BTQMVJNVVQBYLS-UHFFFAOYSA-N 0 3 341.795 1.364 20 5 EDBDHN CN1CCC(O)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267147438 443358328 /nfs/dbraw/zinc/35/83/28/443358328.db2.gz RBUADVILMPPZBV-UHFFFAOYSA-N 0 3 335.404 1.445 20 5 EDBDHN COc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000264656522 443363762 /nfs/dbraw/zinc/36/37/62/443363762.db2.gz ZTINFOQNVIWDEC-LLVKDONJSA-N 0 3 343.405 1.318 20 5 EDBDHN CCn1nccc1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000278794641 443441265 /nfs/dbraw/zinc/44/12/65/443441265.db2.gz FGYQFNKBKPWQJK-HNNXBMFYSA-N 0 3 348.407 1.248 20 5 EDBDHN C[C@@H]1CN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278664562 443394836 /nfs/dbraw/zinc/39/48/36/443394836.db2.gz TWLPCGYWZLJVNV-CQSZACIVSA-N 0 3 335.404 1.754 20 5 EDBDHN CCO[C@@H]1COC[C@H]1N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449729028 320202961 /nfs/dbraw/zinc/20/29/61/320202961.db2.gz YJKRKSLJKUEXHO-NILFDRSVSA-N 0 3 337.376 1.705 20 5 EDBDHN CN1CC[C@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000286296131 443684670 /nfs/dbraw/zinc/68/46/70/443684670.db2.gz VJXASWBHTALGPA-WDEREUQCSA-N 0 3 335.389 1.509 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1=CCN(C)CC1 ZINC000290941155 443717037 /nfs/dbraw/zinc/71/70/37/443717037.db2.gz ZTVMNXFSDBISMY-UHFFFAOYSA-N 0 3 346.387 1.474 20 5 EDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000298371197 443755168 /nfs/dbraw/zinc/75/51/68/443755168.db2.gz NOQLLGAUJVBOMW-NSHDSACASA-N 0 3 338.383 1.966 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC1=CCN(C)CC1 ZINC000298721749 443849622 /nfs/dbraw/zinc/84/96/22/443849622.db2.gz URNWPTXWXBBCBL-UHFFFAOYSA-N 0 3 346.387 1.528 20 5 EDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000299071909 443946365 /nfs/dbraw/zinc/94/63/65/443946365.db2.gz PHLAKCDMYQYBBT-CABCVRRESA-N 0 3 339.417 1.641 20 5 EDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000299071914 443946680 /nfs/dbraw/zinc/94/66/80/443946680.db2.gz PHLAKCDMYQYBBT-GJZGRUSLSA-N 0 3 339.417 1.641 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000285227241 443903885 /nfs/dbraw/zinc/90/38/85/443903885.db2.gz FRPYYOFMEQWXNP-AWEZNQCLSA-N 0 3 349.347 1.235 20 5 EDBDHN CN(C)[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000277203664 443936158 /nfs/dbraw/zinc/93/61/58/443936158.db2.gz PXAUMMSUZWDDRM-LBPRGKRZSA-N 0 3 341.433 1.919 20 5 EDBDHN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN(C2CCC2)C1 ZINC000293612187 444070290 /nfs/dbraw/zinc/07/02/90/444070290.db2.gz DVFZHFFSNNJMEM-ZDUSSCGKSA-N 0 3 335.408 1.514 20 5 EDBDHN Cn1cc([C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]2CO)cn1 ZINC000277893509 444061443 /nfs/dbraw/zinc/06/14/43/444061443.db2.gz WCOZNIYZZOUOPJ-YOEHRIQHSA-N 0 3 346.387 1.415 20 5 EDBDHN O=C(CCN1CCNC[C@H]1C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000565659268 321195668 /nfs/dbraw/zinc/19/56/68/321195668.db2.gz WYQKZEMSGUUKND-LBPRGKRZSA-N 0 3 328.319 1.462 20 5 EDBDHN C[C@@H](C(=O)NC[C@@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000565698548 321198387 /nfs/dbraw/zinc/19/83/87/321198387.db2.gz HDETZQFIPANSQT-CJNGLKHVSA-N 0 3 335.404 1.661 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000567847190 321262635 /nfs/dbraw/zinc/26/26/35/321262635.db2.gz CCQQYVKGBBPGSA-AWEZNQCLSA-N 0 3 344.375 1.431 20 5 EDBDHN O=C(CN[C@@H](CO)C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289430057 444141503 /nfs/dbraw/zinc/14/15/03/444141503.db2.gz DAUPRYJDICDQLH-HNNXBMFYSA-N 0 3 333.388 1.625 20 5 EDBDHN O=C(CN1CCCC1)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301202992 444154243 /nfs/dbraw/zinc/15/42/43/444154243.db2.gz QDYBPPVXYZBDIC-UHFFFAOYSA-N 0 3 336.367 1.478 20 5 EDBDHN NC(=O)c1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000296359683 444222822 /nfs/dbraw/zinc/22/28/22/444222822.db2.gz SAECFCQVZGTMAK-NWANDNLSSA-N 0 3 331.372 1.741 20 5 EDBDHN CC(C)OCCN1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301870724 444194933 /nfs/dbraw/zinc/19/49/33/444194933.db2.gz JULLYKHXBZTVEP-UHFFFAOYSA-N 0 3 348.407 1.939 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000304222269 444243392 /nfs/dbraw/zinc/24/33/92/444243392.db2.gz JKIZSBHKXMNVTP-OAHLLOKOSA-N 0 3 335.404 1.726 20 5 EDBDHN Cc1nn(C)cc1[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579891798 321981788 /nfs/dbraw/zinc/98/17/88/321981788.db2.gz HUONUQXIYOHJDQ-AAEUAGOBSA-N 0 3 334.376 1.727 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C[C@@H]21 ZINC000580621136 322074088 /nfs/dbraw/zinc/07/40/88/322074088.db2.gz DOIVZEJRUAGGCH-MFKMUULPSA-N 0 3 333.344 1.142 20 5 EDBDHN COC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000342300196 444619023 /nfs/dbraw/zinc/61/90/23/444619023.db2.gz CKDCCKHTAQXPAJ-LSDHHAIUSA-N 0 3 338.339 1.269 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2Cn2cc(C3CC3)nn2)n1 ZINC000344355324 444914476 /nfs/dbraw/zinc/91/44/76/444914476.db2.gz QDUOAPRXAMUQQG-ZDUSSCGKSA-N 0 3 331.380 1.425 20 5 EDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330459843 444989937 /nfs/dbraw/zinc/98/99/37/444989937.db2.gz ZZRIGYMMEXTZNN-OLZOCXBDSA-N 0 3 337.424 1.763 20 5 EDBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000337408245 445067477 /nfs/dbraw/zinc/06/74/77/445067477.db2.gz KHTMEQJHYHQULW-NEPJUHHUSA-N 0 3 335.360 1.807 20 5 EDBDHN CC(=O)N[C@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000339186107 445078771 /nfs/dbraw/zinc/07/87/71/445078771.db2.gz OPYJJOIOSANKLV-AWEZNQCLSA-N 0 3 348.403 1.832 20 5 EDBDHN CN(C)CCOC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000347884579 445253988 /nfs/dbraw/zinc/25/39/88/445253988.db2.gz FBEBPZWRTFUHMM-UHFFFAOYSA-N 0 3 334.380 1.185 20 5 EDBDHN CCC(=O)N[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000354679963 445337750 /nfs/dbraw/zinc/33/77/50/445337750.db2.gz WUCWSJGYIYNBBN-AWEZNQCLSA-N 0 3 348.403 1.914 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](Oc2ccccc2)C1 ZINC000362713233 445513847 /nfs/dbraw/zinc/51/38/47/445513847.db2.gz ZBRGFPSMENLUAA-MRXNPFEDSA-N 0 3 329.356 1.910 20 5 EDBDHN C[C@@H]1CCN(C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362769016 445541351 /nfs/dbraw/zinc/54/13/51/445541351.db2.gz IWKIXMPCVSUZOB-SNVBAGLBSA-N 0 3 327.331 1.968 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCN2CCN(C)CC2)c1 ZINC000360159609 445602061 /nfs/dbraw/zinc/60/20/61/445602061.db2.gz ZLUIMASSJBQEPO-UHFFFAOYSA-N 0 3 336.392 1.431 20 5 EDBDHN C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000356082726 445609082 /nfs/dbraw/zinc/60/90/82/445609082.db2.gz KMICAEFAHWPBAR-GFCCVEGCSA-N 0 3 335.408 1.789 20 5 EDBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000349815597 445687423 /nfs/dbraw/zinc/68/74/23/445687423.db2.gz YKAMMYSBNXXNIR-GFCCVEGCSA-N 0 3 329.422 1.743 20 5 EDBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356496888 445822802 /nfs/dbraw/zinc/82/28/02/445822802.db2.gz KJUDIWURHFCKFC-UHFFFAOYSA-N 0 3 331.376 1.532 20 5 EDBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356427794 445785505 /nfs/dbraw/zinc/78/55/05/445785505.db2.gz NNERQBQMGKJYTO-ZDUSSCGKSA-N 0 3 331.376 1.231 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(CC(C)C)CC1 ZINC000363442337 445805579 /nfs/dbraw/zinc/80/55/79/445805579.db2.gz SCQRIVYIBOBMTO-UHFFFAOYSA-N 0 3 337.424 1.680 20 5 EDBDHN CN(CC(=O)N(C)[C@H]1CN2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000361808216 445962457 /nfs/dbraw/zinc/96/24/57/445962457.db2.gz SOUUJCPJKJXOHL-INIZCTEOSA-N 0 3 332.404 1.584 20 5 EDBDHN CCCN1CCN(C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000361811152 445964888 /nfs/dbraw/zinc/96/48/88/445964888.db2.gz ADAXIEDGBQRCKG-UHFFFAOYSA-N 0 3 333.436 1.986 20 5 EDBDHN COC(=O)c1cnc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000365057818 445998812 /nfs/dbraw/zinc/99/88/12/445998812.db2.gz BPXBKTXTVRQWDS-VXGBXAGGSA-N 0 3 336.348 1.052 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000361935225 446083271 /nfs/dbraw/zinc/08/32/71/446083271.db2.gz BGPUAOHVLFCIQH-HZMBPMFUSA-N 0 3 329.360 1.637 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCN(CC)CC1 ZINC000354355409 446139998 /nfs/dbraw/zinc/13/99/98/446139998.db2.gz YVKHIWSQAVKMQQ-UHFFFAOYSA-N 0 3 348.403 1.696 20 5 EDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000354455969 446217470 /nfs/dbraw/zinc/21/74/70/446217470.db2.gz IPBACPXOPDDNAK-LBPRGKRZSA-N 0 3 329.422 1.912 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000370504325 446310174 /nfs/dbraw/zinc/31/01/74/446310174.db2.gz GMQARMZUHDHRBP-ZDUSSCGKSA-N 0 3 345.359 1.147 20 5 EDBDHN CO[C@@]1(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000359630403 446327554 /nfs/dbraw/zinc/32/75/54/446327554.db2.gz DWOBMFXEAPBYGO-QGZVFWFLSA-N 0 3 346.387 1.890 20 5 EDBDHN O=[N+]([O-])c1ccccc1CNC[C@@]1(N2CCOCC2)CCCOC1 ZINC000370556599 446330998 /nfs/dbraw/zinc/33/09/98/446330998.db2.gz LJLZWNVHNKNZNN-KRWDZBQOSA-N 0 3 335.404 1.566 20 5 EDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418082729 446435594 /nfs/dbraw/zinc/43/55/94/446435594.db2.gz JRTMELLDFDJZCC-VHSXEESVSA-N 0 3 332.364 1.363 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000411161381 446414471 /nfs/dbraw/zinc/41/44/71/446414471.db2.gz BNWGKLLBSRBWDI-GFCCVEGCSA-N 0 3 337.376 1.779 20 5 EDBDHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000371243180 446711474 /nfs/dbraw/zinc/71/14/74/446711474.db2.gz SIHVAQSSLSJWEO-AWEZNQCLSA-N 0 3 343.387 1.960 20 5 EDBDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000454103767 446776383 /nfs/dbraw/zinc/77/63/83/446776383.db2.gz PZXWAYIFTNSYNI-AWEZNQCLSA-N 0 3 334.376 1.474 20 5 EDBDHN COc1ccc(OCCN2CC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000412024341 446790669 /nfs/dbraw/zinc/79/06/69/446790669.db2.gz BRPYGSQGPDQRSH-GFCCVEGCSA-N 0 3 347.375 1.898 20 5 EDBDHN COc1ccc(OCCN2CC[C@@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412024341 446790678 /nfs/dbraw/zinc/79/06/78/446790678.db2.gz BRPYGSQGPDQRSH-GFCCVEGCSA-N 0 3 347.375 1.898 20 5 EDBDHN COc1ccc(OCCN2CC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412024341 446790686 /nfs/dbraw/zinc/79/06/86/446790686.db2.gz BRPYGSQGPDQRSH-GFCCVEGCSA-N 0 3 347.375 1.898 20 5 EDBDHN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1C1CCN(C)CC1 ZINC000371465755 446873610 /nfs/dbraw/zinc/87/36/10/446873610.db2.gz HRFIAPMRSUBTRC-AWEZNQCLSA-N 0 3 346.431 1.835 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377173166 446969709 /nfs/dbraw/zinc/96/97/09/446969709.db2.gz CRKMUVHYJYFABD-KBPBESRZSA-N 0 3 334.376 1.888 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC23CC[NH2+]CC3)c1C ZINC000368636551 446996305 /nfs/dbraw/zinc/99/63/05/446996305.db2.gz VMOUORVADYQYBI-CYBMUJFWSA-N 0 3 339.417 1.632 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@H]2CN)cc1[N+](=O)[O-] ZINC000419276567 447050867 /nfs/dbraw/zinc/05/08/67/447050867.db2.gz TWTULDOYRMLEFH-YPMHNXCESA-N 0 3 334.376 1.030 20 5 EDBDHN O=C(CCN1CC[C@H](c2nnc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425545523 447222792 /nfs/dbraw/zinc/22/27/92/447222792.db2.gz JWOZPQQMIAANQN-NSHDSACASA-N 0 3 330.348 1.531 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000421703011 447224258 /nfs/dbraw/zinc/22/42/58/447224258.db2.gz LJKZMKGCEPNPPE-MRXNPFEDSA-N 0 3 343.387 1.947 20 5 EDBDHN CNc1nc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000456062739 447291610 /nfs/dbraw/zinc/29/16/10/447291610.db2.gz LOWOGBAWSPCDNS-SLEUVZQESA-N 0 3 347.419 1.834 20 5 EDBDHN COc1ccc(NC(=O)CN[C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000372803867 447292852 /nfs/dbraw/zinc/29/28/52/447292852.db2.gz DNWVOAUUMLVGFI-BBRMVZONSA-N 0 3 335.360 1.699 20 5 EDBDHN CC1(C)CCCN[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000392983201 447527956 /nfs/dbraw/zinc/52/79/56/447527956.db2.gz SODMDZBTBDTHDK-OAHLLOKOSA-N 0 3 347.419 1.417 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CCCN3CCCO)c21 ZINC000450598786 447535243 /nfs/dbraw/zinc/53/52/43/447535243.db2.gz RELDMIHNURVZBP-GFCCVEGCSA-N 0 3 331.376 1.797 20 5 EDBDHN C[C@@H](C(=O)NC[C@](C)(O)CCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000420021168 447550257 /nfs/dbraw/zinc/55/02/57/447550257.db2.gz UEKPLKCGVRNWRQ-BDJLRTHQSA-N 0 3 341.383 1.656 20 5 EDBDHN Cc1cc(N2CCN([C@@H]3CCNC(=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000450891953 447606344 /nfs/dbraw/zinc/60/63/44/447606344.db2.gz LTTQYCIWOCUJJA-AWEZNQCLSA-N 0 3 332.404 1.694 20 5 EDBDHN CN(C)CC(C)(C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459532410 447697592 /nfs/dbraw/zinc/69/75/92/447697592.db2.gz DWJRMSOEUWFIEM-UHFFFAOYSA-N 0 3 338.364 1.192 20 5 EDBDHN CC(COC(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000496820917 447941209 /nfs/dbraw/zinc/94/12/09/447941209.db2.gz YPIMJFZJFKCCQC-HFAKWTLXSA-N 0 3 328.365 1.842 20 5 EDBDHN C[C@@H](C(=O)N[C@@H](CO)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000582653140 448301118 /nfs/dbraw/zinc/30/11/18/448301118.db2.gz WSMRSDPWRYWVEK-UKRRQHHQSA-N 0 3 335.404 1.661 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H](CO)C2)cc1 ZINC000582965082 448390967 /nfs/dbraw/zinc/39/09/67/448390967.db2.gz KJXZXYCQKNQXKR-OLZOCXBDSA-N 0 3 342.417 1.509 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000572969710 448510112 /nfs/dbraw/zinc/51/01/12/448510112.db2.gz JHFIIFJYEKWXBO-QGZVFWFLSA-N 0 3 343.387 1.723 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000573539256 448650937 /nfs/dbraw/zinc/65/09/37/448650937.db2.gz LAKCCECYTOEMAA-SNVBAGLBSA-N 0 3 327.331 1.874 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCN1 ZINC000592247756 448761623 /nfs/dbraw/zinc/76/16/23/448761623.db2.gz SZZDUZIHXYRGGF-MRXNPFEDSA-N 0 3 343.387 1.851 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)n1 ZINC000567611727 448723895 /nfs/dbraw/zinc/72/38/95/448723895.db2.gz GAMKBQWUVNFTEP-QWHCGFSZSA-N 0 3 329.360 1.378 20 5 EDBDHN Cc1ccc(NCCCNC[C@H](C)S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000579463125 448798476 /nfs/dbraw/zinc/79/84/76/448798476.db2.gz DSRQJJKPXLPFQP-LBPRGKRZSA-N 0 3 329.422 1.728 20 5 EDBDHN CS[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H]1N(C)C ZINC000588007932 448856523 /nfs/dbraw/zinc/85/65/23/448856523.db2.gz SONMNWBSSMMNQQ-OLZOCXBDSA-N 0 3 326.422 1.151 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@]12CCNC2=O ZINC000582070442 449003906 /nfs/dbraw/zinc/00/39/06/449003906.db2.gz KCQQQTHYEHGYSF-KRWDZBQOSA-N 0 3 346.387 1.586 20 5 EDBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593565585 449074871 /nfs/dbraw/zinc/07/48/71/449074871.db2.gz IIDZGZSOZZHZJP-YPMHNXCESA-N 0 3 340.405 1.095 20 5 EDBDHN Cc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590399905 449147083 /nfs/dbraw/zinc/14/70/83/449147083.db2.gz QBWXHJYWRQMMNP-ZBFHGGJFSA-N 0 3 333.388 1.838 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC2(COC2)C1 ZINC000595835694 449198092 /nfs/dbraw/zinc/19/80/92/449198092.db2.gz WEHLAKRWDPLOIA-UHFFFAOYSA-N 0 3 335.360 1.654 20 5 EDBDHN CN1CCC2(CC1)CC(=O)NN(c1ccc([N+](=O)[O-])cc1F)C2=O ZINC000601938439 449236041 /nfs/dbraw/zinc/23/60/41/449236041.db2.gz HWGAVONKWCTKPE-UHFFFAOYSA-N 0 3 336.323 1.214 20 5 EDBDHN COc1cc(CNCC2COC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600210480 449245541 /nfs/dbraw/zinc/24/55/41/449245541.db2.gz JQZKBMWBLRPVTC-UHFFFAOYSA-N 0 3 332.303 1.983 20 5 EDBDHN O=[N+]([O-])c1ccc2ncnc(N[C@@H](CO)CN3CCCCC3)c2c1 ZINC000590702025 449252540 /nfs/dbraw/zinc/25/25/40/449252540.db2.gz NXWCWVKPJVSIQX-GFCCVEGCSA-N 0 3 331.376 1.797 20 5 EDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCCN(C)C1=O ZINC000601970940 449253363 /nfs/dbraw/zinc/25/33/63/449253363.db2.gz RFRIQSACJPQYRN-HNNXBMFYSA-N 0 3 348.403 1.866 20 5 EDBDHN COC(=O)[C@@H]1CN(C)CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593479231 449302740 /nfs/dbraw/zinc/30/27/40/449302740.db2.gz IVYWKSIOFAIOQE-GFCCVEGCSA-N 0 3 344.371 1.684 20 5 EDBDHN Cc1c(NC(=O)CCN2CCC[C@]23CCNC3=O)cccc1[N+](=O)[O-] ZINC000593998338 449317673 /nfs/dbraw/zinc/31/76/73/449317673.db2.gz HKMSVMUBBSXAFS-QGZVFWFLSA-N 0 3 346.387 1.586 20 5 EDBDHN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)N(C)C ZINC000596088895 449357511 /nfs/dbraw/zinc/35/75/11/449357511.db2.gz AHTWQZXIGGNOFQ-NSHDSACASA-N 0 3 344.437 1.645 20 5 EDBDHN Cn1cc(CN2CC[C@@H](F)[C@H](N)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596107100 449364938 /nfs/dbraw/zinc/36/49/38/449364938.db2.gz QJJVZHUZYSWNKO-HUUCEWRRSA-N 0 3 333.367 1.866 20 5 EDBDHN C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000593533745 449330015 /nfs/dbraw/zinc/33/00/15/449330015.db2.gz CJRBOMSOKTUZGZ-NSHDSACASA-N 0 3 328.394 1.000 20 5 EDBDHN CC(C)N1CCN(C2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000596177068 449398497 /nfs/dbraw/zinc/39/84/97/449398497.db2.gz CYHUZDVUQVTHMS-UHFFFAOYSA-N 0 3 348.451 1.567 20 5 EDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594228823 449400288 /nfs/dbraw/zinc/40/02/88/449400288.db2.gz FPVNFBNMRQVLFL-ZIAGYGMSSA-N 0 3 336.396 1.107 20 5 EDBDHN CC(C)[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCN1C ZINC000596205459 449412639 /nfs/dbraw/zinc/41/26/39/449412639.db2.gz JNGKAWMKAOOSAN-CYBMUJFWSA-N 0 3 342.421 1.019 20 5 EDBDHN COc1cc(C(=O)N2CCN[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000598571927 449470587 /nfs/dbraw/zinc/47/05/87/449470587.db2.gz CLDQFUHFASIJEU-LBPRGKRZSA-N 0 3 337.376 1.682 20 5 EDBDHN NC[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594451035 449526265 /nfs/dbraw/zinc/52/62/65/449526265.db2.gz CWAHAEREZJRRHE-LLVKDONJSA-N 0 3 334.298 1.793 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2C[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594473949 449538879 /nfs/dbraw/zinc/53/88/79/449538879.db2.gz AMCYIFCJYOKTBL-BETUJISGSA-N 0 3 341.433 1.830 20 5 EDBDHN COC(=O)c1ccnc(N2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000598624791 449502013 /nfs/dbraw/zinc/50/20/13/449502013.db2.gz HGYRLIQPKSEWNE-NWDGAFQWSA-N 0 3 334.376 1.839 20 5 EDBDHN COC(=O)c1ccnc(N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000598628386 449506205 /nfs/dbraw/zinc/50/62/05/449506205.db2.gz RKNDDESZXYZTCF-INIZCTEOSA-N 0 3 334.376 1.699 20 5 EDBDHN CN(C)[C@H]1C[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000594591776 449585988 /nfs/dbraw/zinc/58/59/88/449585988.db2.gz KDHWTNZPESPMRV-DTORHVGOSA-N 0 3 333.435 1.812 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3nccc(N)c3C2)n1 ZINC000598943576 449661417 /nfs/dbraw/zinc/66/14/17/449661417.db2.gz RZXYZDFXNYJNDN-UHFFFAOYSA-N 0 3 329.316 1.316 20 5 EDBDHN CC(C)N1CC[C@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000602555434 449670908 /nfs/dbraw/zinc/67/09/08/449670908.db2.gz QWEZBTYUVQWCQJ-HNNXBMFYSA-N 0 3 347.419 1.558 20 5 EDBDHN C[C@H]1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC000602558704 449673915 /nfs/dbraw/zinc/67/39/15/449673915.db2.gz DFVWYJNGXRJCSA-BLLLJJGKSA-N 0 3 343.387 1.654 20 5 EDBDHN COC[C@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCCN1 ZINC000602502256 449633556 /nfs/dbraw/zinc/63/35/56/449633556.db2.gz GEBNMUOWDWNHMA-INIZCTEOSA-N 0 3 334.376 1.033 20 5 EDBDHN CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000598897517 449635357 /nfs/dbraw/zinc/63/53/57/449635357.db2.gz GCOUVMQWOIPBJV-AWEZNQCLSA-N 0 3 349.391 1.269 20 5 EDBDHN COC1CC(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594718255 449644904 /nfs/dbraw/zinc/64/49/04/449644904.db2.gz MDZNRNQSLMTQGR-UHFFFAOYSA-N 0 3 342.417 1.773 20 5 EDBDHN CC(C)(C)N1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594800856 449711709 /nfs/dbraw/zinc/71/17/09/449711709.db2.gz IJZOXDCQSWCQSN-ZDUSSCGKSA-N 0 3 341.433 1.887 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601142564 449713153 /nfs/dbraw/zinc/71/31/53/449713153.db2.gz UYHFRADUXVYJSC-UHFFFAOYSA-N 0 3 338.383 1.443 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000594821177 449729637 /nfs/dbraw/zinc/72/96/37/449729637.db2.gz JYTKXOIFYSGTNJ-LBPRGKRZSA-N 0 3 329.422 1.830 20 5 EDBDHN CC(C)Oc1nc(N2CC(CN3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000599107773 449740515 /nfs/dbraw/zinc/74/05/15/449740515.db2.gz LXEAOASQDUHTED-UHFFFAOYSA-N 0 3 349.435 1.461 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)CN1CCN(C)CC1 ZINC000595019536 449842429 /nfs/dbraw/zinc/84/24/29/449842429.db2.gz QPBFXJHZCNRYGT-KGLIPLIRSA-N 0 3 336.436 1.890 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601364109 449877517 /nfs/dbraw/zinc/87/75/17/449877517.db2.gz DECUMXVWFAHEDA-MRXNPFEDSA-N 0 3 335.404 1.445 20 5 EDBDHN COCCN1CCN(CCn2c(C)ncc2[N+](=O)[O-])C(C)(C)C1 ZINC000602870259 449879711 /nfs/dbraw/zinc/87/97/11/449879711.db2.gz MSZBNLPVAHGSHL-UHFFFAOYSA-N 0 3 325.413 1.142 20 5 EDBDHN Cc1sc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601420700 449937540 /nfs/dbraw/zinc/93/75/40/449937540.db2.gz FKUHXQPGXOMLEI-SCZZXKLOSA-N 0 3 333.435 1.678 20 5 EDBDHN CN(C)CCn1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cn1 ZINC000608879524 449948247 /nfs/dbraw/zinc/94/82/47/449948247.db2.gz WRACVTDNBHCIMQ-UHFFFAOYSA-N 0 3 336.327 1.327 20 5 EDBDHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000602894086 449902578 /nfs/dbraw/zinc/90/25/78/449902578.db2.gz YGSYVXQLMCXNKE-NSHDSACASA-N 0 3 335.330 1.750 20 5 EDBDHN COc1cccc(C(=O)Nc2cnn(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000618092056 450003280 /nfs/dbraw/zinc/00/32/80/450003280.db2.gz YOIZISANXJXLNV-UHFFFAOYSA-N 0 3 333.348 1.614 20 5 EDBDHN CNc1c(C(=O)Nc2cnn(CCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000613229198 450092016 /nfs/dbraw/zinc/09/20/16/450092016.db2.gz IIPOSCJGODXNCI-UHFFFAOYSA-N 0 3 332.364 1.647 20 5 EDBDHN CCC1(N2CCOCC2)CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000599663562 450137021 /nfs/dbraw/zinc/13/70/21/450137021.db2.gz IBBSIHKEYPRCCV-UHFFFAOYSA-N 0 3 338.408 1.968 20 5 EDBDHN CN1CC[C@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832695 450241163 /nfs/dbraw/zinc/24/11/63/450241163.db2.gz ILWHXGSSIOOSRK-INIZCTEOSA-N 0 3 345.359 1.331 20 5 EDBDHN CC1([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)OCCO1 ZINC000183827296 528053511 /nfs/dbraw/zinc/05/35/11/528053511.db2.gz HSDQXYPAMCLXPL-CYBMUJFWSA-N 0 3 337.376 1.232 20 5 EDBDHN CC[C@@H](C)[C@@H](N)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000195140044 535653829 /nfs/dbraw/zinc/65/38/29/535653829.db2.gz WXIQXUUIYRBDSY-MEBBXXQBSA-N 0 3 339.392 1.644 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269877647 535950479 /nfs/dbraw/zinc/95/04/79/535950479.db2.gz JOTQZZWKSPHSIY-AWEZNQCLSA-N 0 3 344.799 1.360 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000741579881 579421181 /nfs/dbraw/zinc/42/11/81/579421181.db2.gz QZUZAEOAKWDHIC-DOMZBBRYSA-N 0 3 345.403 1.743 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000726165198 578335294 /nfs/dbraw/zinc/33/52/94/578335294.db2.gz WXBZQBRGYDLGOS-OLZOCXBDSA-N 0 3 344.371 1.669 20 5 EDBDHN CN(CCCNC(=O)C1CCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759998795 580021246 /nfs/dbraw/zinc/02/12/46/580021246.db2.gz JZGVZAYBNURNHO-MRXNPFEDSA-N 0 3 335.404 1.866 20 5 EDBDHN CN(C)C[C@H](O)CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000765004859 580133078 /nfs/dbraw/zinc/13/30/78/580133078.db2.gz BRDVFMBRPMTFSS-CQSZACIVSA-N 0 3 346.387 1.903 20 5 EDBDHN O=[N+]([O-])c1c(NC2CCN([C@H]3CCOC3)CC2)nc2ccccn21 ZINC000770445913 580260669 /nfs/dbraw/zinc/26/06/69/580260669.db2.gz OFNAPGQTTJLJPX-ZDUSSCGKSA-N 0 3 331.376 1.908 20 5 EDBDHN Cc1nc([C@@H]2CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000776586247 580422564 /nfs/dbraw/zinc/42/25/64/580422564.db2.gz LRIODRFMFRFJQZ-HIFRSBDPSA-N 0 3 331.376 1.934 20 5 EDBDHN Cc1n[nH]c([C@@H]2CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000776586247 580422565 /nfs/dbraw/zinc/42/25/65/580422565.db2.gz LRIODRFMFRFJQZ-HIFRSBDPSA-N 0 3 331.376 1.934 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]2C1 ZINC000793924048 580860500 /nfs/dbraw/zinc/86/05/00/580860500.db2.gz BOLNBIQOMYFOSP-MNOVXSKESA-N 0 3 333.344 1.347 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000738358439 598855708 /nfs/dbraw/zinc/85/57/08/598855708.db2.gz MFKPROYDZGWFOO-GFCCVEGCSA-N 0 3 343.391 1.697 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000738358439 598855710 /nfs/dbraw/zinc/85/57/10/598855710.db2.gz MFKPROYDZGWFOO-GFCCVEGCSA-N 0 3 343.391 1.697 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1CCC[C@@H]1C ZINC000892203220 590863024 /nfs/dbraw/zinc/86/30/24/590863024.db2.gz SDSZSHAQWWOCTL-LBPRGKRZSA-N 0 3 336.392 1.887 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000891612128 591150015 /nfs/dbraw/zinc/15/00/15/591150015.db2.gz MKIXAVXIUPKBIP-CYBMUJFWSA-N 0 3 335.408 1.648 20 5 EDBDHN C[C@@]1(NC(=O)CCNc2ccccc2[N+](=O)[O-])CN2CCC1CC2 ZINC000892789925 591179727 /nfs/dbraw/zinc/17/97/27/591179727.db2.gz VSLRIMVLPOTTAV-QGZVFWFLSA-N 0 3 332.404 1.997 20 5 EDBDHN COc1ccc2ncc([N+](=O)[O-])c(N(C)CCN(C)CCO)c2c1 ZINC000894592292 591361243 /nfs/dbraw/zinc/36/12/43/591361243.db2.gz SECJEHLKUUCTLQ-UHFFFAOYSA-N 0 3 334.376 1.512 20 5 EDBDHN CNC(=O)c1ccc(NC[C@H]2CCN2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896517454 591488758 /nfs/dbraw/zinc/48/87/58/591488758.db2.gz GBFLOAKSHHXYHQ-CQSZACIVSA-N 0 3 348.403 1.620 20 5 EDBDHN Cn1c2ccccc2c(NC[C@@H]2CSCCN2)c([N+](=O)[O-])c1=O ZINC000895125614 591602799 /nfs/dbraw/zinc/60/27/99/591602799.db2.gz WCOKKGCNQCIJCA-SNVBAGLBSA-N 0 3 334.401 1.564 20 5 EDBDHN CN1CCN(C)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000897099024 591739873 /nfs/dbraw/zinc/73/98/73/591739873.db2.gz WFBVHXHKXICPNH-UHFFFAOYSA-N 0 3 330.392 1.222 20 5 EDBDHN CCN1CCC(NC(=O)COc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000902298804 591970026 /nfs/dbraw/zinc/97/00/26/591970026.db2.gz RZZDOLOJUXFNPE-UHFFFAOYSA-N 0 3 325.340 1.713 20 5 EDBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000902641071 592034498 /nfs/dbraw/zinc/03/44/98/592034498.db2.gz URRMUVWLOPPKRU-IRXDYDNUSA-N 0 3 345.403 1.433 20 5 EDBDHN COc1cc([C@@H](C)NC[C@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])c1 ZINC000903061570 592111595 /nfs/dbraw/zinc/11/15/95/592111595.db2.gz HFUISTICNZITPT-GHMZBOCLSA-N 0 3 328.390 1.689 20 5 EDBDHN O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C12CCN(CC1)C2 ZINC000900744357 592116110 /nfs/dbraw/zinc/11/61/10/592116110.db2.gz BZGGFXHKOJLGJD-LBPRGKRZSA-N 0 3 331.376 1.098 20 5 EDBDHN COc1cc([C@@H](C)NC[C@H](C)N2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903091437 592118988 /nfs/dbraw/zinc/11/89/88/592118988.db2.gz UEQCNURASUNAMT-UONOGXRCSA-N 0 3 336.436 1.890 20 5 EDBDHN COc1cc([C@H](C)N[C@@H]2CCc3c(nnn3C)C2)cc([N+](=O)[O-])c1 ZINC000903197200 592133920 /nfs/dbraw/zinc/13/39/20/592133920.db2.gz WNBVLEONVRCRTC-CMPLNLGQSA-N 0 3 331.376 1.940 20 5 EDBDHN CN1CCOC[C@]1(CO)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000903278715 592150422 /nfs/dbraw/zinc/15/04/22/592150422.db2.gz NIGLFZKQHRKNQQ-QZTJIDSGSA-N 0 3 349.431 1.645 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812339590 593498606 /nfs/dbraw/zinc/49/86/06/593498606.db2.gz BYYUWBYNPXUPAU-KOLCDFICSA-N 0 3 347.400 1.623 20 5 EDBDHN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108233 593518033 /nfs/dbraw/zinc/51/80/33/593518033.db2.gz WISUSQQGOLQUBK-OCCSQVGLSA-N 0 3 337.376 1.719 20 5 EDBDHN CC(COC(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1)[N+](=O)[O-] ZINC000813114764 593518926 /nfs/dbraw/zinc/51/89/26/593518926.db2.gz GJKQNDMTVOYXSU-AAEUAGOBSA-N 0 3 329.374 1.413 20 5 EDBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)[C@@H]2C1 ZINC000816955134 593563551 /nfs/dbraw/zinc/56/35/51/593563551.db2.gz UVNFTSOKMABYMH-SUMWQHHRSA-N 0 3 344.415 1.971 20 5 EDBDHN CC(C)(C)[S@](=O)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819057366 593736226 /nfs/dbraw/zinc/73/62/26/593736226.db2.gz VSRXIBHVOFRAIZ-ZAMGYDSWSA-N 0 3 344.433 1.471 20 5 EDBDHN O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821057154 593955591 /nfs/dbraw/zinc/95/55/91/593955591.db2.gz MVDNKFKVAPRJNV-DJIMGWMZSA-N 0 3 347.415 1.661 20 5 EDBDHN CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821088756 593963155 /nfs/dbraw/zinc/96/31/55/593963155.db2.gz UWTOEOVAQIKKAU-NSHDSACASA-N 0 3 346.395 1.338 20 5 EDBDHN CCC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821088756 593963156 /nfs/dbraw/zinc/96/31/56/593963156.db2.gz UWTOEOVAQIKKAU-NSHDSACASA-N 0 3 346.395 1.338 20 5 EDBDHN CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821088756 593963157 /nfs/dbraw/zinc/96/31/57/593963157.db2.gz UWTOEOVAQIKKAU-NSHDSACASA-N 0 3 346.395 1.338 20 5 EDBDHN CCC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821088756 593963158 /nfs/dbraw/zinc/96/31/58/593963158.db2.gz UWTOEOVAQIKKAU-NSHDSACASA-N 0 3 346.395 1.338 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000821917589 593965770 /nfs/dbraw/zinc/96/57/70/593965770.db2.gz GNUASPLRVJXKQR-UHFFFAOYSA-N 0 3 338.383 1.491 20 5 EDBDHN CC[N@@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821268127 594003506 /nfs/dbraw/zinc/00/35/06/594003506.db2.gz UDFQYDIVDFBQOI-LBPRGKRZSA-N 0 3 331.380 1.695 20 5 EDBDHN CC[N@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821268127 594003509 /nfs/dbraw/zinc/00/35/09/594003509.db2.gz UDFQYDIVDFBQOI-LBPRGKRZSA-N 0 3 331.380 1.695 20 5 EDBDHN CC[N@@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821268127 594003510 /nfs/dbraw/zinc/00/35/10/594003510.db2.gz UDFQYDIVDFBQOI-LBPRGKRZSA-N 0 3 331.380 1.695 20 5 EDBDHN CC[N@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821268127 594003512 /nfs/dbraw/zinc/00/35/12/594003512.db2.gz UDFQYDIVDFBQOI-LBPRGKRZSA-N 0 3 331.380 1.695 20 5 EDBDHN CCO[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])CN(C)C ZINC000831743232 594698317 /nfs/dbraw/zinc/69/83/17/594698317.db2.gz DEUATIYQBLXZBY-SNVBAGLBSA-N 0 3 329.784 1.945 20 5 EDBDHN CN(C)[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000106363975 595254326 /nfs/dbraw/zinc/25/43/26/595254326.db2.gz SRPIIYHVVIVUJX-LLVKDONJSA-N 0 3 325.340 1.665 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](O)c2ccccc2Cl)c1 ZINC000843066272 595279456 /nfs/dbraw/zinc/27/94/56/595279456.db2.gz QFONOSKVCZZLIS-RISCZKNCSA-N 0 3 340.767 1.129 20 5 EDBDHN C[C@@H]1COCCN1C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846910967 595336361 /nfs/dbraw/zinc/33/63/61/595336361.db2.gz FXJQSXAWBIMPTF-KDOFPFPSSA-N 0 3 349.431 1.813 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000845344372 595482454 /nfs/dbraw/zinc/48/24/54/595482454.db2.gz VWQIJADOFCMVHZ-UONOGXRCSA-N 0 3 337.351 1.256 20 5 EDBDHN COCCN1CCC(OC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000847880665 595495196 /nfs/dbraw/zinc/49/51/96/595495196.db2.gz ARRYEBWNBMVWFN-UHFFFAOYSA-N 0 3 338.360 1.628 20 5 EDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000855166787 595618414 /nfs/dbraw/zinc/61/84/14/595618414.db2.gz QAGYPLGUXCESCG-CQSZACIVSA-N 0 3 345.403 1.934 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000858632641 595851185 /nfs/dbraw/zinc/85/11/85/595851185.db2.gz PMONBSUXFMEPJU-NXEZZACHSA-N 0 3 347.824 1.975 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000861355524 595960470 /nfs/dbraw/zinc/96/04/70/595960470.db2.gz QSHVSSCUAAEWQM-OAHLLOKOSA-N 0 3 341.795 1.777 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1 ZINC000856490166 596004954 /nfs/dbraw/zinc/00/49/54/596004954.db2.gz XETASBOHXUWSBB-HOCLYGCPSA-N 0 3 346.387 1.544 20 5 EDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854643835 596146972 /nfs/dbraw/zinc/14/69/72/596146972.db2.gz YPIZXOGTWWYNLN-LSDHHAIUSA-N 0 3 337.351 1.669 20 5 EDBDHN COC(=O)C1=CC[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000863572282 596623030 /nfs/dbraw/zinc/62/30/30/596623030.db2.gz MUHSWIXVIIKJQO-OLZOCXBDSA-N 0 3 336.344 1.186 20 5 EDBDHN COCCN(CC1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000869770158 596624745 /nfs/dbraw/zinc/62/47/45/596624745.db2.gz KLGLZMGBBXMQRD-UHFFFAOYSA-N 0 3 325.365 1.618 20 5 EDBDHN COc1cc(N[C@H]2CCN(CC(C)(C)O)C2)c([N+](=O)[O-])cc1F ZINC000865998620 596753190 /nfs/dbraw/zinc/75/31/90/596753190.db2.gz OZEZSHVMXHMEBE-JTQLQIEISA-N 0 3 327.356 2.000 20 5 EDBDHN CN1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)c2cnccc21 ZINC000119950006 596797565 /nfs/dbraw/zinc/79/75/65/596797565.db2.gz UPDHIWARFWKFKY-UHFFFAOYSA-N 0 3 340.386 1.696 20 5 EDBDHN CN1CCC[C@H]2[C@H]1CCN2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880137847 597853159 /nfs/dbraw/zinc/85/31/59/597853159.db2.gz LNPRTRQDYWRDGR-CVEARBPZSA-N 0 3 344.415 1.652 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738358923 599519461 /nfs/dbraw/zinc/51/94/61/599519461.db2.gz FDSWFVZUEMSTSM-HNNXBMFYSA-N 0 3 340.343 1.598 20 5 EDBDHN Cc1[nH]cnc1CC(=O)NC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031313868 696644601 /nfs/dbraw/zinc/64/46/01/696644601.db2.gz ZLNJEPAJIKGYMZ-UHFFFAOYSA-N 0 3 329.360 1.169 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000996633298 702934928 /nfs/dbraw/zinc/93/49/28/702934928.db2.gz LOOHFAGZQUJNLN-UHFFFAOYSA-N 0 3 332.364 1.051 20 5 EDBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563443098 306333445 /nfs/dbraw/zinc/33/34/45/306333445.db2.gz VZKHSQRQOXYCET-GJZGRUSLSA-N 0 3 348.403 1.126 20 5 EDBDHN COC(=O)[C@@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000413491672 304062797 /nfs/dbraw/zinc/06/27/97/304062797.db2.gz BHPNGHLTPSKCSA-GFCCVEGCSA-N 0 3 344.371 1.684 20 5 EDBDHN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000235430670 139026203 /nfs/dbraw/zinc/02/62/03/139026203.db2.gz HWZPIAUOPBLTBY-BDAKNGLRSA-N 0 3 333.797 1.667 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000110865799 220071770 /nfs/dbraw/zinc/07/17/70/220071770.db2.gz LDMGOFURBIJODB-UHFFFAOYSA-N 0 3 334.420 1.613 20 5 EDBDHN O=C1CC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@H]2N1C1CC1 ZINC000245637355 139081844 /nfs/dbraw/zinc/08/18/44/139081844.db2.gz RPYWYXMUXWIIEY-GXTWGEPZSA-N 0 3 333.392 1.267 20 5 EDBDHN C[C@@H](CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12)S(C)(=O)=O ZINC000568752765 306488298 /nfs/dbraw/zinc/48/82/98/306488298.db2.gz PRPQDCANBHHZBQ-JTQLQIEISA-N 0 3 325.390 1.641 20 5 EDBDHN N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261649727 139214358 /nfs/dbraw/zinc/21/43/58/139214358.db2.gz HFZWHAGZHQDXJQ-JKSUJKDBSA-N 0 3 347.396 1.710 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000262301087 139267901 /nfs/dbraw/zinc/26/79/01/139267901.db2.gz XMPMBGQRGKFPMZ-UHFFFAOYSA-N 0 3 341.371 1.960 20 5 EDBDHN Cc1ccc(NCCCNC(=O)N2CCCNCC2)c([N+](=O)[O-])c1 ZINC000417713823 251239511 /nfs/dbraw/zinc/23/95/11/251239511.db2.gz HRJOSPQOJWGTBH-UHFFFAOYSA-N 0 3 335.408 1.710 20 5 EDBDHN O=[N+]([O-])c1cc(Br)ccc1CNC1(CO)CCOCC1 ZINC000230729444 285082646 /nfs/dbraw/zinc/08/26/46/285082646.db2.gz GHWRGTDQKIRXNA-UHFFFAOYSA-N 0 3 345.193 1.988 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459648010 285164679 /nfs/dbraw/zinc/16/46/79/285164679.db2.gz BPDTXTPUVWMFOU-FMKPAKJESA-N 0 3 348.399 1.835 20 5 EDBDHN CCN(CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000118121688 221123634 /nfs/dbraw/zinc/12/36/34/221123634.db2.gz BKYPYSUZPOBJQI-UHFFFAOYSA-N 0 3 334.376 1.442 20 5 EDBDHN Cc1sc(C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000118722568 221173052 /nfs/dbraw/zinc/17/30/52/221173052.db2.gz QZXJXVPLQRQQAX-UHFFFAOYSA-N 0 3 327.406 1.541 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000119637263 221364989 /nfs/dbraw/zinc/36/49/89/221364989.db2.gz WICXLMNIWPCCDY-HIFRSBDPSA-N 0 3 343.387 1.428 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CN1C1CC1 ZINC000271340564 140281382 /nfs/dbraw/zinc/28/13/82/140281382.db2.gz UAKYULFAHWRVFB-PSASIEDQSA-N 0 3 347.400 1.955 20 5 EDBDHN NC(=O)c1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000331999757 141108803 /nfs/dbraw/zinc/10/88/03/141108803.db2.gz VJNUOTFZSBBGKJ-LZWOXQAQSA-N 0 3 349.387 1.840 20 5 EDBDHN C[C@]1(CO)CCC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332184594 141136730 /nfs/dbraw/zinc/13/67/30/141136730.db2.gz WKUGSEDWQJYWTR-YQQAZPJKSA-N 0 3 333.388 1.841 20 5 EDBDHN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1CC(C)(C)O ZINC000332218477 141142064 /nfs/dbraw/zinc/14/20/64/141142064.db2.gz IKSAEJAXFRLFBB-LBPRGKRZSA-N 0 3 347.419 1.748 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CCN(C)C[C@H]21 ZINC000332340272 141165442 /nfs/dbraw/zinc/16/54/42/141165442.db2.gz WXTAJSZOFSJUQL-WBVHZDCISA-N 0 3 335.404 1.898 20 5 EDBDHN O=C(CN[C@@H](C1CC1)[C@]1(CO)CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000339762132 142148213 /nfs/dbraw/zinc/14/82/13/142148213.db2.gz JGKJWOQLTBBVAG-DLBZAZTESA-N 0 3 349.387 1.443 20 5 EDBDHN CO[C@H]1C[C@@H](CO)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344704536 143000930 /nfs/dbraw/zinc/00/09/30/143000930.db2.gz HOCKYWXICYTYNR-KBPBESRZSA-N 0 3 337.376 1.313 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344738719 143005515 /nfs/dbraw/zinc/00/55/15/143005515.db2.gz ZZQDGYXLAGPRQQ-CYBMUJFWSA-N 0 3 337.424 1.726 20 5 EDBDHN C[C@H]1[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCN1C ZINC000344989093 143035877 /nfs/dbraw/zinc/03/58/77/143035877.db2.gz VULPHMQLJRGZNF-BLLLJJGKSA-N 0 3 348.403 1.850 20 5 EDBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CCCN2CCOC)c1[N+](=O)[O-] ZINC000345636946 143115073 /nfs/dbraw/zinc/11/50/73/143115073.db2.gz DCIAXGUWOUYIPK-LLVKDONJSA-N 0 3 339.396 1.111 20 5 EDBDHN CCN1C[C@H](C)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346188353 143176997 /nfs/dbraw/zinc/17/69/97/143176997.db2.gz JDCKQSLOKICLLK-OFQRWUPVSA-N 0 3 337.420 1.749 20 5 EDBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346648704 143226329 /nfs/dbraw/zinc/22/63/29/143226329.db2.gz PMMABSCEJQEWQF-YNEHKIRRSA-N 0 3 338.360 1.218 20 5 EDBDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000357415651 151024875 /nfs/dbraw/zinc/02/48/75/151024875.db2.gz NPYPSTMFBJIKJV-ZYHUDNBSSA-N 0 3 337.376 1.825 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCCOCC1 ZINC000358060645 151252464 /nfs/dbraw/zinc/25/24/64/151252464.db2.gz KPNGHRWYVCLHGX-LBPRGKRZSA-N 0 3 343.405 1.032 20 5 EDBDHN CCc1ccc([C@@H](CO)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000359538356 151746710 /nfs/dbraw/zinc/74/67/10/151746710.db2.gz MTNGNXQPYYYHIN-HZPDHXFCSA-N 0 3 334.376 1.038 20 5 EDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363690478 153030294 /nfs/dbraw/zinc/03/02/94/153030294.db2.gz IGWLPHKELCVELK-RTWZZBQXSA-N 0 3 331.372 1.587 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)C2(CC2)C1 ZINC000364316062 153203917 /nfs/dbraw/zinc/20/39/17/153203917.db2.gz LAUBYGNNCOUMDW-CQSZACIVSA-N 0 3 335.360 1.389 20 5 EDBDHN CN(C)CCn1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000574819932 306657802 /nfs/dbraw/zinc/65/78/02/306657802.db2.gz KDKRCRIQWRSKCV-UHFFFAOYSA-N 0 3 347.375 1.162 20 5 EDBDHN N=C(NO)[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374172295 157177117 /nfs/dbraw/zinc/17/71/17/157177117.db2.gz HRGUTSSUGJOCOG-JSGCOSHPSA-N 0 3 338.364 1.145 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCCC1 ZINC000075923082 287279990 /nfs/dbraw/zinc/27/99/90/287279990.db2.gz ICPQWTVKEOOSTN-UHFFFAOYSA-N 0 3 343.405 1.368 20 5 EDBDHN Cc1c(CC(=O)NC[C@@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122820160 287383768 /nfs/dbraw/zinc/38/37/68/287383768.db2.gz FEKMQCNPXCRAEC-CQSZACIVSA-N 0 3 348.447 1.445 20 5 EDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCN1CC(C)(C)O ZINC000275442840 268343452 /nfs/dbraw/zinc/34/34/52/268343452.db2.gz FXNSOBMDHBAPEF-SNVBAGLBSA-N 0 3 335.364 1.412 20 5 EDBDHN CO[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1OC ZINC000276917998 273169079 /nfs/dbraw/zinc/16/90/79/273169079.db2.gz RFAUVOAJUFRCMW-OKILXGFUSA-N 0 3 341.339 1.408 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000277552142 273205801 /nfs/dbraw/zinc/20/58/01/273205801.db2.gz IVYKPPXTYWWWNB-OAHLLOKOSA-N 0 3 339.417 1.771 20 5 EDBDHN COCCO[C@H]1C[C@H](CO)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000278016709 273240992 /nfs/dbraw/zinc/24/09/92/273240992.db2.gz ADUCATSZFAOLFW-RDJZCZTQSA-N 0 3 338.404 1.483 20 5 EDBDHN COC(=O)c1cn(CCN[C@H](C)c2cccc([N+](=O)[O-])c2C)nn1 ZINC000284178547 274106885 /nfs/dbraw/zinc/10/68/85/274106885.db2.gz AIHKUDWHRLJLCS-LLVKDONJSA-N 0 3 333.348 1.632 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](SC)[C@@H](N(C)C)C2)n1 ZINC000286501427 288021121 /nfs/dbraw/zinc/02/11/21/288021121.db2.gz MZIVPIQUCZFXNW-RYUDHWBXSA-N 0 3 340.405 1.258 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000371350672 281013714 /nfs/dbraw/zinc/01/37/14/281013714.db2.gz SFSWCHMEDGCAKD-ZFWWWQNUSA-N 0 3 333.436 1.760 20 5 EDBDHN COCCN(CCN(C)C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289183244 288646263 /nfs/dbraw/zinc/64/62/63/288646263.db2.gz ASJVNTYANJRFAL-UHFFFAOYSA-N 0 3 341.408 1.622 20 5 EDBDHN CSC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000290473719 288904174 /nfs/dbraw/zinc/90/41/74/288904174.db2.gz UVFWBJCANHVQHP-UHFFFAOYSA-N 0 3 330.431 1.854 20 5 EDBDHN COc1cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1OC ZINC000292299289 289310058 /nfs/dbraw/zinc/31/00/58/289310058.db2.gz RXJVVOOTHKSPMA-KRWDZBQOSA-N 0 3 349.387 1.780 20 5 EDBDHN CC1CCN(C[C@@H](O)CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420601208 304769972 /nfs/dbraw/zinc/76/99/72/304769972.db2.gz NCCAWKBNWTZBLC-LBPRGKRZSA-N 0 3 336.392 1.198 20 5 EDBDHN C[C@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293675840 303002045 /nfs/dbraw/zinc/00/20/45/303002045.db2.gz KBCQWQKTQYGMEN-JQWIXIFHSA-N 0 3 342.421 1.252 20 5 EDBDHN CN1CC[C@]2(CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C2)C1 ZINC000293924376 303039123 /nfs/dbraw/zinc/03/91/23/303039123.db2.gz PUTOYVOTBTUKNZ-KRWDZBQOSA-N 0 3 347.371 1.340 20 5 EDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000294122278 303066072 /nfs/dbraw/zinc/06/60/72/303066072.db2.gz LVXPNNFOFMPVSX-INIZCTEOSA-N 0 3 335.408 1.999 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000430242129 305048573 /nfs/dbraw/zinc/04/85/73/305048573.db2.gz IDCHHUGVRQJQEP-CYBMUJFWSA-N 0 3 337.420 1.880 20 5 EDBDHN C[C@H]1CCN(C)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446899808 305271755 /nfs/dbraw/zinc/27/17/55/305271755.db2.gz KSNYPXXKRBKHQJ-NSHDSACASA-N 0 3 346.391 1.707 20 5 EDBDHN CC1(C)[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000451484392 305349314 /nfs/dbraw/zinc/34/93/14/305349314.db2.gz ZULLEMNRXZJGHT-YUELXQCFSA-N 0 3 333.388 1.987 20 5 EDBDHN COc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451631327 305357682 /nfs/dbraw/zinc/35/76/82/305357682.db2.gz NGFPMOOFGXRHKH-BFQNTYOBSA-N 0 3 348.403 1.566 20 5 EDBDHN CO[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000451757828 305367386 /nfs/dbraw/zinc/36/73/86/305367386.db2.gz IPFYRXCTVRINFX-UKRRQHHQSA-N 0 3 333.344 1.484 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1COCC1(C)C ZINC000451805041 305370145 /nfs/dbraw/zinc/37/01/45/305370145.db2.gz AQAWNQNKEHATLC-QMTHXVAHSA-N 0 3 337.376 1.945 20 5 EDBDHN COc1ccc(CN(C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000521559908 305790581 /nfs/dbraw/zinc/79/05/81/305790581.db2.gz QCONNOVFRUUDHG-UHFFFAOYSA-N 0 3 347.375 1.809 20 5 EDBDHN C[C@@H](CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)C ZINC000556641291 306212384 /nfs/dbraw/zinc/21/23/84/306212384.db2.gz GRZDRNGEHNGXCT-NSHDSACASA-N 0 3 333.392 1.868 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3nnc[nH]3)CC2)c1 ZINC000083424921 441360692 /nfs/dbraw/zinc/36/06/92/441360692.db2.gz JXMBRHNUMWLQKZ-AWEZNQCLSA-N 0 3 347.375 1.332 20 5 EDBDHN CC(C)(C)CCN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000064308911 441370829 /nfs/dbraw/zinc/37/08/29/441370829.db2.gz FZDYSBPRLQYAKY-UHFFFAOYSA-N 0 3 337.424 1.762 20 5 EDBDHN COC(=O)c1cc(C(=O)NCCN2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000107631017 441422173 /nfs/dbraw/zinc/42/21/73/441422173.db2.gz FUAAPYHCBOTARD-LBPRGKRZSA-N 0 3 349.387 1.843 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000108332400 441445525 /nfs/dbraw/zinc/44/55/25/441445525.db2.gz WCSRGGOJTQIMTF-GFCCVEGCSA-N 0 3 349.387 1.843 20 5 EDBDHN COc1cc(OCC(=O)NC[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000108344738 441447515 /nfs/dbraw/zinc/44/75/15/441447515.db2.gz RPLNPIYPKVDMTR-LBPRGKRZSA-N 0 3 337.376 1.440 20 5 EDBDHN COc1ccc(NC(=O)CN2CCC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000109804900 441507406 /nfs/dbraw/zinc/50/74/06/441507406.db2.gz WQOUJCYZWSQMAV-LBPRGKRZSA-N 0 3 336.392 1.568 20 5 EDBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CCO)c1ccccc1 ZINC000075899727 441565037 /nfs/dbraw/zinc/56/50/37/441565037.db2.gz OAXIRUYBHDPCLF-HOTGVXAUSA-N 0 3 334.376 1.208 20 5 EDBDHN CCN(CCCNCc1ccc(C)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000077290484 441747559 /nfs/dbraw/zinc/74/75/59/441747559.db2.gz HYXJDKZYLRSNMS-UHFFFAOYSA-N 0 3 329.422 1.664 20 5 EDBDHN CCN(CCCN[C@H](C)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000121551201 441730180 /nfs/dbraw/zinc/73/01/80/441730180.db2.gz RMLGCHCWGNJIAF-GFCCVEGCSA-N 0 3 329.422 1.917 20 5 EDBDHN CNc1ccc(C(=O)NC2CCN(CCOC)CC2)cc1[N+](=O)[O-] ZINC000138544855 441792386 /nfs/dbraw/zinc/79/23/86/441792386.db2.gz MLDHHIWTAUREEY-UHFFFAOYSA-N 0 3 336.392 1.477 20 5 EDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCN(C2CC2)C1 ZINC000068468658 441804062 /nfs/dbraw/zinc/80/40/62/441804062.db2.gz OCJQZOBHZGGQHV-ZDUSSCGKSA-N 0 3 328.372 1.902 20 5 EDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162196868 442072503 /nfs/dbraw/zinc/07/25/03/442072503.db2.gz STBMXXKIHVTSMW-INIZCTEOSA-N 0 3 332.404 1.333 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc1 ZINC000151639591 442098305 /nfs/dbraw/zinc/09/83/05/442098305.db2.gz GHVUILPTIQGBDM-CYBMUJFWSA-N 0 3 339.417 1.701 20 5 EDBDHN C[C@@H]1C[C@H](N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCN1C ZINC000127864416 442230057 /nfs/dbraw/zinc/23/00/57/442230057.db2.gz CPRCREQGBCSNRW-TZMCWYRMSA-N 0 3 349.387 1.727 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000153699387 442297470 /nfs/dbraw/zinc/29/74/70/442297470.db2.gz UDHHBYYMLONIBY-GFCCVEGCSA-N 0 3 334.376 1.300 20 5 EDBDHN COc1cc(OCC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177168806 442308567 /nfs/dbraw/zinc/30/85/67/442308567.db2.gz BTKGRHSNGDSLNF-RYUDHWBXSA-N 0 3 349.387 1.724 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(CC3CCOCC3)CC2)c1 ZINC000178863150 442507082 /nfs/dbraw/zinc/50/70/82/442507082.db2.gz YWEISNWQDWWPQF-SFHVURJKSA-N 0 3 349.431 1.672 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000186706865 442595529 /nfs/dbraw/zinc/59/55/29/442595529.db2.gz CTSGHJHFYDLCIU-UHFFFAOYSA-N 0 3 343.387 1.947 20 5 EDBDHN CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000181285974 442688140 /nfs/dbraw/zinc/68/81/40/442688140.db2.gz VPADVSKAXZKAQY-UHFFFAOYSA-N 0 3 348.403 1.255 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000192921320 442698575 /nfs/dbraw/zinc/69/85/75/442698575.db2.gz CGLXNZKVIPNTIZ-TXEJJXNPSA-N 0 3 325.390 1.085 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000188219198 442725720 /nfs/dbraw/zinc/72/57/20/442725720.db2.gz DBLNTJUESIVDLP-UHFFFAOYSA-N 0 3 348.403 1.784 20 5 EDBDHN COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000268265354 442924522 /nfs/dbraw/zinc/92/45/22/442924522.db2.gz ROTNFALUIWUFTQ-ZWNOBZJWSA-N 0 3 343.405 1.174 20 5 EDBDHN C[C@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N(C)C1CC1 ZINC000189362100 442929718 /nfs/dbraw/zinc/92/97/18/442929718.db2.gz SJHROCRLNGZSTB-GFCCVEGCSA-N 0 3 348.403 1.850 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295498219 318648685 /nfs/dbraw/zinc/64/86/85/318648685.db2.gz QQCVGMDNHBHQCM-ZDUSSCGKSA-N 0 3 349.309 1.656 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000184370379 443016322 /nfs/dbraw/zinc/01/63/22/443016322.db2.gz UMIDKJWNDYIFKD-LQYUOIDQSA-N 0 3 346.431 1.750 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255310717 443093629 /nfs/dbraw/zinc/09/36/29/443093629.db2.gz MYEONPXXVNJRBE-HJWRWDBZSA-N 0 3 346.431 1.704 20 5 EDBDHN COc1ccc([C@H](C)N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266401740 443116915 /nfs/dbraw/zinc/11/69/15/443116915.db2.gz FAAAXDRRYLNXFH-SWLSCSKDSA-N 0 3 334.376 1.854 20 5 EDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000266520104 443154757 /nfs/dbraw/zinc/15/47/57/443154757.db2.gz ZMOYYOZGFLFWGD-CABZTGNLSA-N 0 3 326.303 1.781 20 5 EDBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185764217 443253495 /nfs/dbraw/zinc/25/34/95/443253495.db2.gz JFUDLDFIWNPJAP-UHFFFAOYSA-N 0 3 327.406 1.557 20 5 EDBDHN COC[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000272636629 443390480 /nfs/dbraw/zinc/39/04/80/443390480.db2.gz BTXDOJCFVPOBJQ-OAHLLOKOSA-N 0 3 334.376 1.746 20 5 EDBDHN CNC(=O)c1ccc(NC[C@]2(N(C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000267127095 443350994 /nfs/dbraw/zinc/35/09/94/443350994.db2.gz VBDVIUUEASSNHU-OAHLLOKOSA-N 0 3 338.433 1.804 20 5 EDBDHN CN(C)[C@@H]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278721353 443413916 /nfs/dbraw/zinc/41/39/16/443413916.db2.gz PQQGTRIOYNICOQ-GFCCVEGCSA-N 0 3 346.391 1.707 20 5 EDBDHN Cc1nn(CCC(=O)N[C@H](C)C2=CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000272766027 443437461 /nfs/dbraw/zinc/43/74/61/443437461.db2.gz QEZRYPIVEZUOCD-LLVKDONJSA-N 0 3 335.408 1.565 20 5 EDBDHN C[C@H]1CN(CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278679652 443400928 /nfs/dbraw/zinc/40/09/28/443400928.db2.gz UIPKZTHYTJUREI-AWEZNQCLSA-N 0 3 335.404 1.754 20 5 EDBDHN C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272935672 443494306 /nfs/dbraw/zinc/49/43/06/443494306.db2.gz LMEYGPKCGIMDKE-LBPRGKRZSA-N 0 3 347.371 1.553 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273374629 443568921 /nfs/dbraw/zinc/56/89/21/443568921.db2.gz HESKGPUSNHXQER-LLVKDONJSA-N 0 3 326.328 1.312 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000265409436 443632518 /nfs/dbraw/zinc/63/25/18/443632518.db2.gz ZZFZRYQWRNUSLU-CYBMUJFWSA-N 0 3 333.344 1.744 20 5 EDBDHN CCN1CCN(CCCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272399094 443614253 /nfs/dbraw/zinc/61/42/53/443614253.db2.gz HNSJLLCLLMFFEC-UHFFFAOYSA-N 0 3 349.435 1.325 20 5 EDBDHN COC(=O)COc1ccc(CN2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449522071 320193645 /nfs/dbraw/zinc/19/36/45/320193645.db2.gz KNGSZVJTMOWOFD-DZGCQCFKSA-N 0 3 349.387 1.283 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000454113731 320285704 /nfs/dbraw/zinc/28/57/04/320285704.db2.gz WQQACRGOBWNXCS-CQSZACIVSA-N 0 3 348.403 1.783 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491564309 320372366 /nfs/dbraw/zinc/37/23/66/320372366.db2.gz WUBBXRVOPUAENI-CXOKCQFOSA-N 0 3 333.388 1.835 20 5 EDBDHN CCCc1n[nH]c(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288265168 443824874 /nfs/dbraw/zinc/82/48/74/443824874.db2.gz GSDRHPNRVHOEBJ-NEPJUHHUSA-N 0 3 335.408 1.969 20 5 EDBDHN CCN1CC[C@H]2OCCN(CCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293163295 443941008 /nfs/dbraw/zinc/94/10/08/443941008.db2.gz FRJSWPGTWPWQOG-DLBZAZTESA-N 0 3 335.404 1.769 20 5 EDBDHN CN1CC[C@@]2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293185449 443946296 /nfs/dbraw/zinc/94/62/96/443946296.db2.gz DFJNMFWDIGYSFX-QGZVFWFLSA-N 0 3 332.404 1.875 20 5 EDBDHN CN1CCN(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000281642713 443968027 /nfs/dbraw/zinc/96/80/27/443968027.db2.gz MPMSXUOUOMRWTH-UHFFFAOYSA-N 0 3 335.408 1.132 20 5 EDBDHN CN(C)CC1(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCC1 ZINC000281819252 444014994 /nfs/dbraw/zinc/01/49/94/444014994.db2.gz VOCOTVZDTBWRGN-UHFFFAOYSA-N 0 3 335.389 1.814 20 5 EDBDHN O=C1C[C@H](NCC2(O)CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000571101900 321371634 /nfs/dbraw/zinc/37/16/34/321371634.db2.gz RHTCKMYRCUNHSJ-ZDUSSCGKSA-N 0 3 333.344 1.121 20 5 EDBDHN Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000296195382 444211847 /nfs/dbraw/zinc/21/18/47/444211847.db2.gz COHKXAVHYCOWPG-JTQLQIEISA-N 0 3 338.339 1.143 20 5 EDBDHN CC(C)[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000302069328 444203335 /nfs/dbraw/zinc/20/33/35/444203335.db2.gz VEOXGDCWRJXDSK-QGZVFWFLSA-N 0 3 336.436 1.771 20 5 EDBDHN C[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000321239855 444334791 /nfs/dbraw/zinc/33/47/91/444334791.db2.gz OCTYJQYPFGTMFO-PHIMTYICSA-N 0 3 342.421 1.032 20 5 EDBDHN CC(C(N)=O)S(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340565527 444441184 /nfs/dbraw/zinc/44/11/84/444441184.db2.gz IXTMOYMWUMYITA-MRVPVSSYSA-N 0 3 339.329 1.038 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCn2cccn2)cc1 ZINC000580915271 322111703 /nfs/dbraw/zinc/11/17/03/322111703.db2.gz NWTWTFMKVCTRDX-UHFFFAOYSA-N 0 3 338.389 1.245 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSC[C@H]1CO ZINC000343774646 444582166 /nfs/dbraw/zinc/58/21/66/444582166.db2.gz VNMQRPODEQBSAY-CYBMUJFWSA-N 0 3 339.417 1.642 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000342245507 444585891 /nfs/dbraw/zinc/58/58/91/444585891.db2.gz JZPVFKNDMGVQQH-RNCFNFMXSA-N 0 3 340.405 1.137 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N(C)C1 ZINC000343873191 444640150 /nfs/dbraw/zinc/64/01/50/444640150.db2.gz HIZJYRRJZHNFTK-UONOGXRCSA-N 0 3 347.375 1.800 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000336867522 444811509 /nfs/dbraw/zinc/81/15/09/444811509.db2.gz RNUBQGRAGHBGLE-JTQLQIEISA-N 0 3 331.394 1.399 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCNc2ccncc2)c1 ZINC000338771678 444846983 /nfs/dbraw/zinc/84/69/83/444846983.db2.gz UIHAFJZHKVSIBZ-UHFFFAOYSA-N 0 3 330.344 1.652 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)N(C)C1 ZINC000344492276 445007849 /nfs/dbraw/zinc/00/78/49/445007849.db2.gz GAPODJSKWDVCMJ-HZPDHXFCSA-N 0 3 335.404 1.705 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)N(C)C1 ZINC000344493313 445008868 /nfs/dbraw/zinc/00/88/68/445008868.db2.gz HFMMDOITGGVPBG-CABCVRRESA-N 0 3 335.404 1.623 20 5 EDBDHN C[C@@H]1OCC[C@H]1N(CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337456272 445089256 /nfs/dbraw/zinc/08/92/56/445089256.db2.gz HYSFAUSPBRFKSX-GXTWGEPZSA-N 0 3 337.376 1.395 20 5 EDBDHN C[C@H](CN(C)C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000346133129 445206721 /nfs/dbraw/zinc/20/67/21/445206721.db2.gz ASZTXGPMOSVOME-CYBMUJFWSA-N 0 3 334.420 1.878 20 5 EDBDHN Cn1nccc1[C@H]1[C@@H](NCc2cccc([N+](=O)[O-])c2)CCC(=O)N1C ZINC000343394468 445215283 /nfs/dbraw/zinc/21/52/83/445215283.db2.gz GGTKPEPZQDMAPX-WMLDXEAASA-N 0 3 343.387 1.780 20 5 EDBDHN COc1ccc(OCCN2CCC[C@]3(CNC(=O)C3)C2)c([N+](=O)[O-])c1 ZINC000362409773 445366193 /nfs/dbraw/zinc/36/61/93/445366193.db2.gz IUWOYPCQXUVVQH-KRWDZBQOSA-N 0 3 349.387 1.584 20 5 EDBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCN1Cc1ccccc1 ZINC000359810847 445440256 /nfs/dbraw/zinc/44/02/56/445440256.db2.gz PUBKRLPDXPIOPZ-GXTWGEPZSA-N 0 3 343.387 1.721 20 5 EDBDHN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CN2CCC1CC2 ZINC000362786169 445549428 /nfs/dbraw/zinc/54/94/28/445549428.db2.gz RVOJUTNDQLJSGL-OAHLLOKOSA-N 0 3 339.342 1.968 20 5 EDBDHN Cc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000363183146 445712082 /nfs/dbraw/zinc/71/20/82/445712082.db2.gz OKAIPCXNSJHKDS-ZIAGYGMSSA-N 0 3 334.376 1.888 20 5 EDBDHN CC[C@@](C)(O)CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353761798 445743156 /nfs/dbraw/zinc/74/31/56/445743156.db2.gz DZNGOTLYWHBEDT-OAHLLOKOSA-N 0 3 326.349 1.397 20 5 EDBDHN COCC(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350312437 445809454 /nfs/dbraw/zinc/80/94/54/445809454.db2.gz QRJDWPQYHOEMOT-UHFFFAOYSA-N 0 3 325.340 1.461 20 5 EDBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)n(C2CCN(C)CC2)n1 ZINC000354010838 445854224 /nfs/dbraw/zinc/85/42/24/445854224.db2.gz SOYUDNPGDBJUAK-UHFFFAOYSA-N 0 3 333.352 1.342 20 5 EDBDHN CN1CCC[C@@H](N2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000369359141 446101903 /nfs/dbraw/zinc/10/19/03/446101903.db2.gz PHTDGIWTHUDWRD-QGZVFWFLSA-N 0 3 348.447 1.685 20 5 EDBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000365479017 446226014 /nfs/dbraw/zinc/22/60/14/446226014.db2.gz DNUNHLSAVVAKNU-AWEZNQCLSA-N 0 3 345.359 1.627 20 5 EDBDHN CCC1(CC)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000362246619 446284315 /nfs/dbraw/zinc/28/43/15/446284315.db2.gz RNKUFJBGJHHOEK-CYBMUJFWSA-N 0 3 328.438 1.760 20 5 EDBDHN COc1ccc2c(c1)[C@H](N)CCN2C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000365713568 446311257 /nfs/dbraw/zinc/31/12/57/446311257.db2.gz SDJJJZJIGMYVCD-GFCCVEGCSA-N 0 3 345.359 1.696 20 5 EDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CCN([C@@H]2CCOC2)CC1 ZINC000370540847 446324402 /nfs/dbraw/zinc/32/44/02/446324402.db2.gz YAQVLAJAUCCNLO-SQRWCISFSA-N 0 3 345.399 1.978 20 5 EDBDHN Cc1c(NC(=O)CCN2CCC[C@H]3C(=O)NC[C@H]32)cccc1[N+](=O)[O-] ZINC000366865282 446388778 /nfs/dbraw/zinc/38/87/78/446388778.db2.gz BYESOLYTFLRRBB-IUODEOHRSA-N 0 3 346.387 1.442 20 5 EDBDHN CCN1CCC(NC(=O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000411477923 446562700 /nfs/dbraw/zinc/56/27/00/446562700.db2.gz DQBGOWRDOROTLU-ZDUSSCGKSA-N 0 3 334.420 1.846 20 5 EDBDHN NCc1cn([C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000420368985 446549676 /nfs/dbraw/zinc/54/96/76/446549676.db2.gz BBQAXPWKKCGRKJ-HNNXBMFYSA-N 0 3 346.391 1.361 20 5 EDBDHN C[NH2+]CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420424654 446599771 /nfs/dbraw/zinc/59/97/71/446599771.db2.gz SRNSPLVTONDLIC-UHFFFAOYSA-N 0 3 327.284 1.111 20 5 EDBDHN COc1cc(C(=O)N[C@@H]2CNCCC2(F)F)cc([N+](=O)[O-])c1C ZINC000423697989 446646679 /nfs/dbraw/zinc/64/66/79/446646679.db2.gz LZEHAYPSJQGHIM-GFCCVEGCSA-N 0 3 329.303 1.639 20 5 EDBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)CN1 ZINC000368181852 446691161 /nfs/dbraw/zinc/69/11/61/446691161.db2.gz WOWIWPJFUYKOAG-QWRGUYRKSA-N 0 3 345.758 1.833 20 5 EDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000418766171 446684035 /nfs/dbraw/zinc/68/40/35/446684035.db2.gz MOMJGIZAZXMKSF-HNNXBMFYSA-N 0 3 336.392 1.503 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000371507878 446903222 /nfs/dbraw/zinc/90/32/22/446903222.db2.gz DVZDFKJRCPBFQS-WFASDCNBSA-N 0 3 346.387 1.394 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@@H]2CN)cc1[N+](=O)[O-] ZINC000419276565 447051039 /nfs/dbraw/zinc/05/10/39/447051039.db2.gz TWTULDOYRMLEFH-DGCLKSJQSA-N 0 3 334.376 1.030 20 5 EDBDHN CN1C[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425213410 447066343 /nfs/dbraw/zinc/06/63/43/447066343.db2.gz GYZPTBSZPIXRCB-SWLSCSKDSA-N 0 3 339.417 1.451 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000421293549 447105846 /nfs/dbraw/zinc/10/58/46/447105846.db2.gz DRKQCXGMLOMXND-CYBMUJFWSA-N 0 3 334.376 1.394 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000421522187 447179556 /nfs/dbraw/zinc/17/95/56/447179556.db2.gz AQJUQRFLQPGRIF-OAHLLOKOSA-N 0 3 348.447 1.967 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](N2CCCC2)C1 ZINC000372616978 447186593 /nfs/dbraw/zinc/18/65/93/447186593.db2.gz HSVYOOOBABFCNZ-CQSZACIVSA-N 0 3 348.403 1.712 20 5 EDBDHN COc1cc(C(=O)N(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])cc1F ZINC000421712123 447229560 /nfs/dbraw/zinc/22/95/60/447229560.db2.gz QBWTZZODVULFPL-JTQLQIEISA-N 0 3 325.340 1.909 20 5 EDBDHN O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000372749697 447267553 /nfs/dbraw/zinc/26/75/53/447267553.db2.gz ILNJPZUKJOJGLE-UONOGXRCSA-N 0 3 328.372 2.418 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000457207782 447541927 /nfs/dbraw/zinc/54/19/27/447541927.db2.gz NMGXDVQOWJOPGC-UHFFFAOYSA-N 0 3 331.376 1.851 20 5 EDBDHN COC(=O)CC1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000459389934 447649257 /nfs/dbraw/zinc/64/92/57/447649257.db2.gz OGGHIMMCMQEIGP-GFCCVEGCSA-N 0 3 338.360 1.410 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000490505908 447893971 /nfs/dbraw/zinc/89/39/71/447893971.db2.gz SJCQIJLRCNFRQS-HNNXBMFYSA-N 0 3 339.417 1.620 20 5 EDBDHN CNc1nccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000569865997 447907859 /nfs/dbraw/zinc/90/78/59/447907859.db2.gz YWOUYXUPUCICKZ-YRGRVCCFSA-N 0 3 347.419 1.834 20 5 EDBDHN CNc1nccc(C(=O)N(CCN(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000570173286 447958988 /nfs/dbraw/zinc/95/89/88/447958988.db2.gz FGVKXJBHHUBWRO-UHFFFAOYSA-N 0 3 343.387 2.240 20 5 EDBDHN C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000575975227 447940425 /nfs/dbraw/zinc/94/04/25/447940425.db2.gz FCLAXQWNZKBZAA-CABCVRRESA-N 0 3 348.447 1.698 20 5 EDBDHN COCCN(C)CCCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491290698 447983547 /nfs/dbraw/zinc/98/35/47/447983547.db2.gz HFOIFCVPPYKKSD-ALCCZGGFSA-N 0 3 339.367 1.832 20 5 EDBDHN C[C@@H](C(=O)N1CCN(CCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000576332871 448029215 /nfs/dbraw/zinc/02/92/15/448029215.db2.gz NALFDBMYHIAZGK-CQSZACIVSA-N 0 3 334.420 1.404 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCS2)cc1 ZINC000570675388 448046383 /nfs/dbraw/zinc/04/63/83/448046383.db2.gz JHRKQZCDSYJLSX-LBPRGKRZSA-N 0 3 330.431 1.854 20 5 EDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000532343077 448240884 /nfs/dbraw/zinc/24/08/84/448240884.db2.gz RTBSBDSSUMESGC-CYBMUJFWSA-N 0 3 335.408 1.163 20 5 EDBDHN CNc1nccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000563396966 448299504 /nfs/dbraw/zinc/29/95/04/448299504.db2.gz IJLVZKKWFGMYET-MRXNPFEDSA-N 0 3 333.392 1.589 20 5 EDBDHN CNc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000516834674 448477853 /nfs/dbraw/zinc/47/78/53/448477853.db2.gz HOWYKMWYJWLADF-UHFFFAOYSA-N 0 3 335.408 1.004 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000573007649 448522257 /nfs/dbraw/zinc/52/22/57/448522257.db2.gz HOLKZVBZPQZMAR-ICDLMJIXSA-N 0 3 339.417 1.622 20 5 EDBDHN COC(=O)[C@@H]1C[C@@H](O)CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000592002585 448619155 /nfs/dbraw/zinc/61/91/55/448619155.db2.gz NZWKYCHHKXKMSK-DGCLKSJQSA-N 0 3 345.355 1.812 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000573539255 448650230 /nfs/dbraw/zinc/65/02/30/448650230.db2.gz LAKCCECYTOEMAA-JTQLQIEISA-N 0 3 327.331 1.874 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000592246433 448761609 /nfs/dbraw/zinc/76/16/09/448761609.db2.gz NYVAMFBUYILQNB-OAHLLOKOSA-N 0 3 348.403 1.171 20 5 EDBDHN O=C1[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000573835426 448726997 /nfs/dbraw/zinc/72/69/97/448726997.db2.gz OPYXIQREPBTPIE-XNRPHZJLSA-N 0 3 349.387 1.078 20 5 EDBDHN CCc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000567769410 448756384 /nfs/dbraw/zinc/75/63/84/448756384.db2.gz BPXAGJDPAUEPQZ-LBPRGKRZSA-N 0 3 341.433 1.777 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccccc1CO ZINC000519715366 448826688 /nfs/dbraw/zinc/82/66/88/448826688.db2.gz WLNHQRFTHKDWRP-OAHLLOKOSA-N 0 3 332.356 1.617 20 5 EDBDHN CC[C@H](C)C[C@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592430654 448832957 /nfs/dbraw/zinc/83/29/57/448832957.db2.gz YNSARAVSRUECIF-QWHCGFSZSA-N 0 3 344.433 1.755 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(CCO)CC2)cc1 ZINC000592432845 448833782 /nfs/dbraw/zinc/83/37/82/448833782.db2.gz YSKGBRGATXEJHA-UHFFFAOYSA-N 0 3 328.390 1.121 20 5 EDBDHN Cc1cc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)ccc1[N+](=O)[O-] ZINC000579950608 448919005 /nfs/dbraw/zinc/91/90/05/448919005.db2.gz KNPOXKGKONTQRK-CQSZACIVSA-N 0 3 344.375 1.431 20 5 EDBDHN CCN1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000611092339 449166585 /nfs/dbraw/zinc/16/65/85/449166585.db2.gz QLVJCPBZBKPYII-CYBMUJFWSA-N 0 3 348.403 1.919 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000590589021 449205574 /nfs/dbraw/zinc/20/55/74/449205574.db2.gz LACINPXXVFORTN-YPMHNXCESA-N 0 3 327.406 1.616 20 5 EDBDHN Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000590564531 449193746 /nfs/dbraw/zinc/19/37/46/449193746.db2.gz FSGZASAFELFQOX-HZPDHXFCSA-N 0 3 333.388 1.838 20 5 EDBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000611236573 449231149 /nfs/dbraw/zinc/23/11/49/449231149.db2.gz FIDAWUVGRHJAAW-CQSZACIVSA-N 0 3 343.387 1.675 20 5 EDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)[C@H](CN)C(F)(F)F ZINC000595907383 449245867 /nfs/dbraw/zinc/24/58/67/449245867.db2.gz JTKXLCBMWVLIKM-LDYMZIIASA-N 0 3 334.298 1.743 20 5 EDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593551249 449341413 /nfs/dbraw/zinc/34/14/13/449341413.db2.gz AYGQQMLLNRYCDI-GFCCVEGCSA-N 0 3 328.394 1.095 20 5 EDBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCC[C@H]2CO1 ZINC000602112492 449355101 /nfs/dbraw/zinc/35/51/01/449355101.db2.gz QTUQFFNHZNGGHS-DLBZAZTESA-N 0 3 347.415 1.897 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598343369 449358181 /nfs/dbraw/zinc/35/81/81/449358181.db2.gz WHFUPGLHQQTQMR-CQSZACIVSA-N 0 3 348.403 1.315 20 5 EDBDHN COC(=O)[C@@](C)(NC(=O)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000600539904 449431221 /nfs/dbraw/zinc/43/12/21/449431221.db2.gz CYNWMUSRBPZKNX-KRWDZBQOSA-N 0 3 349.387 1.441 20 5 EDBDHN COC(=O)c1ccnc(N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598597280 449483665 /nfs/dbraw/zinc/48/36/65/449483665.db2.gz YZMKMMKBPJCNPQ-LBPRGKRZSA-N 0 3 334.376 1.841 20 5 EDBDHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1 ZINC000598894685 449634013 /nfs/dbraw/zinc/63/40/13/449634013.db2.gz RJMWYXXBNBYSEU-LBPRGKRZSA-N 0 3 347.375 1.069 20 5 EDBDHN Cn1nccc1[C@H](CO)N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599055106 449712285 /nfs/dbraw/zinc/71/22/85/449712285.db2.gz NBULNCZJVGIPRL-MBNYWOFBSA-N 0 3 334.380 1.332 20 5 EDBDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000595195133 449937288 /nfs/dbraw/zinc/93/72/88/449937288.db2.gz ZSYCXUSGGUDANH-ZDUSSCGKSA-N 0 3 348.403 1.751 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601421920 449940042 /nfs/dbraw/zinc/94/00/42/449940042.db2.gz NAOGWBIYSPPDJZ-CHWSQXEVSA-N 0 3 341.433 1.925 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)n1 ZINC000595226590 449958979 /nfs/dbraw/zinc/95/89/79/449958979.db2.gz VCXWVRDDMJOGDE-CHWSQXEVSA-N 0 3 347.350 1.424 20 5 EDBDHN NC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC2(CCC2)C1 ZINC000595254510 449978735 /nfs/dbraw/zinc/97/87/35/449978735.db2.gz YIXXKOYHGQCQKY-UHFFFAOYSA-N 0 3 345.403 1.300 20 5 EDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609383093 450021400 /nfs/dbraw/zinc/02/14/00/450021400.db2.gz IZHADUMESUHTQO-LBPRGKRZSA-N 0 3 347.371 1.580 20 5 EDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000609399577 450023916 /nfs/dbraw/zinc/02/39/16/450023916.db2.gz ICQSEIXOQWWGHZ-OAHLLOKOSA-N 0 3 347.419 1.790 20 5 EDBDHN CN1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000609548639 450048313 /nfs/dbraw/zinc/04/83/13/450048313.db2.gz RHXHVQFLZQXFSD-JTQLQIEISA-N 0 3 330.344 1.673 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(N2CCN([C@H]3CCCN(C)C3)CC2)c1 ZINC000610278425 450179258 /nfs/dbraw/zinc/17/92/58/450179258.db2.gz FHYVMXGZCUAZKQ-AWEZNQCLSA-N 0 3 334.420 1.820 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(CCN3CCOCC3)C2)cn1 ZINC000603423991 450295460 /nfs/dbraw/zinc/29/54/60/450295460.db2.gz TZFOSGRLTOUYJW-OAHLLOKOSA-N 0 3 335.408 1.198 20 5 EDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000619475638 450484434 /nfs/dbraw/zinc/48/44/34/450484434.db2.gz WMBBZERIBKRGEP-CQSZACIVSA-N 0 3 337.424 1.811 20 5 EDBDHN CC(C)(C)CCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174747448 527664752 /nfs/dbraw/zinc/66/47/52/527664752.db2.gz SUTQJWDVPASEQJ-HNNXBMFYSA-N 0 3 339.440 1.206 20 5 EDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000173988309 528259946 /nfs/dbraw/zinc/25/99/46/528259946.db2.gz GETQFEJMVSEBKB-CYBMUJFWSA-N 0 3 327.406 1.700 20 5 EDBDHN CCNC(=O)[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000339325225 535408141 /nfs/dbraw/zinc/40/81/41/535408141.db2.gz GCFWAXZLUVLHQZ-UKRRQHHQSA-N 0 3 339.392 1.085 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCNc1ccncc1 ZINC000346349745 536887153 /nfs/dbraw/zinc/88/71/53/536887153.db2.gz LMQNCUFDANWCAH-UHFFFAOYSA-N 0 3 331.332 1.654 20 5 EDBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000733159418 578746074 /nfs/dbraw/zinc/74/60/74/578746074.db2.gz QXTLETDGNINDIP-INIZCTEOSA-N 0 3 333.388 1.968 20 5 EDBDHN C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736290797 578974141 /nfs/dbraw/zinc/97/41/41/578974141.db2.gz CBOCINHGRYLSDP-JQWIXIFHSA-N 0 3 329.364 1.448 20 5 EDBDHN C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736290797 578974142 /nfs/dbraw/zinc/97/41/42/578974142.db2.gz CBOCINHGRYLSDP-JQWIXIFHSA-N 0 3 329.364 1.448 20 5 EDBDHN C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736290797 578974143 /nfs/dbraw/zinc/97/41/43/578974143.db2.gz CBOCINHGRYLSDP-JQWIXIFHSA-N 0 3 329.364 1.448 20 5 EDBDHN C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736290797 578974144 /nfs/dbraw/zinc/97/41/44/578974144.db2.gz CBOCINHGRYLSDP-JQWIXIFHSA-N 0 3 329.364 1.448 20 5 EDBDHN CN(C)CCNC(=S)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000777924328 580452989 /nfs/dbraw/zinc/45/29/89/580452989.db2.gz VWOCHHBJCRHNCT-UHFFFAOYSA-N 0 3 330.841 1.816 20 5 EDBDHN O=C(CN[C@H](CCO)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763067636 580091858 /nfs/dbraw/zinc/09/18/58/580091858.db2.gz PMTPVEZBALSDOK-GFCCVEGCSA-N 0 3 327.768 1.937 20 5 EDBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000771378682 580285431 /nfs/dbraw/zinc/28/54/31/580285431.db2.gz GZUJNVCJZLXFSE-GHMZBOCLSA-N 0 3 337.380 1.034 20 5 EDBDHN CCN(CC)CCOC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000772106546 580303370 /nfs/dbraw/zinc/30/33/70/580303370.db2.gz BGDCXXQVYGZPDO-UHFFFAOYSA-N 0 3 333.348 1.674 20 5 EDBDHN O=C(C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000776576011 580421755 /nfs/dbraw/zinc/42/17/55/580421755.db2.gz ZKKWMIPPXAGEOZ-KRWDZBQOSA-N 0 3 347.415 1.963 20 5 EDBDHN CN1CCC2(CCN2C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000779211401 580481057 /nfs/dbraw/zinc/48/10/57/580481057.db2.gz FTVDXJXEADRKQX-UHFFFAOYSA-N 0 3 333.344 1.634 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000892204542 590862169 /nfs/dbraw/zinc/86/21/69/590862169.db2.gz ZJWFZGHZRZBSNC-SMDDNHRTSA-N 0 3 334.376 1.449 20 5 EDBDHN COc1ccc(CN[C@H](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000892713983 591144547 /nfs/dbraw/zinc/14/45/47/591144547.db2.gz KVHKRKSBKFCEOZ-PWSUYJOCSA-N 0 3 328.390 1.516 20 5 EDBDHN COc1c(O)ccc(CN2CCC3(CCN(C)C3=O)CC2)c1[N+](=O)[O-] ZINC000894066471 591181787 /nfs/dbraw/zinc/18/17/87/591181787.db2.gz CMKICTMABQEXKZ-UHFFFAOYSA-N 0 3 349.387 1.753 20 5 EDBDHN CN1CCC2(CCN2C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000892930050 591228774 /nfs/dbraw/zinc/22/87/74/591228774.db2.gz OZEUXJXUJRAMMD-UHFFFAOYSA-N 0 3 348.403 1.853 20 5 EDBDHN CN1C[C@@H]2CN(c3c([N+](=O)[O-])c(C(F)(F)F)nn3C)C[C@]2(C)C1 ZINC000896912297 591676790 /nfs/dbraw/zinc/67/67/90/591676790.db2.gz RQJSNPCYOIFWCB-PELKAZGASA-N 0 3 333.314 1.735 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2CCCO)c1C ZINC000897876502 591702931 /nfs/dbraw/zinc/70/29/31/591702931.db2.gz MTXCARWZXBUBDU-AWEZNQCLSA-N 0 3 335.404 1.788 20 5 EDBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[C@H]3CCCN4CCO)c2c1 ZINC000897221313 591776461 /nfs/dbraw/zinc/77/64/61/591776461.db2.gz LCXLSFTXPGPHIB-HZPDHXFCSA-N 0 3 343.387 1.573 20 5 EDBDHN CN(CCO)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000899736752 591925630 /nfs/dbraw/zinc/92/56/30/591925630.db2.gz SDZURBUFUJQDMQ-UHFFFAOYSA-N 0 3 346.181 1.011 20 5 EDBDHN CN1CCOC[C@@]1(CO)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903279737 592151076 /nfs/dbraw/zinc/15/10/76/592151076.db2.gz RVLPGNXMBUAOLM-AEFFLSMTSA-N 0 3 349.431 1.600 20 5 EDBDHN CN1CCC[C@@](O)(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901015491 592197232 /nfs/dbraw/zinc/19/72/32/592197232.db2.gz CHSIWVMOTQOTQK-OAHLLOKOSA-N 0 3 341.795 1.711 20 5 EDBDHN C[C@@H](CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CCCC1 ZINC000906578110 592856938 /nfs/dbraw/zinc/85/69/38/592856938.db2.gz YFJIVWQMCDROSP-LBPRGKRZSA-N 0 3 349.387 1.970 20 5 EDBDHN O=C(OCCn1cnc([N+](=O)[O-])n1)c1ccc(CN2CCCC2)cc1 ZINC000805892936 593159868 /nfs/dbraw/zinc/15/98/68/593159868.db2.gz PXEORFDGFBDVLZ-UHFFFAOYSA-N 0 3 345.359 1.639 20 5 EDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(OC)c1 ZINC000810077261 593381053 /nfs/dbraw/zinc/38/10/53/593381053.db2.gz UVXHBHAWGISTNM-UHFFFAOYSA-N 0 3 332.378 1.654 20 5 EDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000813101954 593517608 /nfs/dbraw/zinc/51/76/08/593517608.db2.gz LWRAIFBWGSVMKO-MRVPVSSYSA-N 0 3 335.276 1.306 20 5 EDBDHN CC(COC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)[N+](=O)[O-] ZINC000813107225 593518305 /nfs/dbraw/zinc/51/83/05/593518305.db2.gz MXIHPJPFOACLIM-FZMZJTMJSA-N 0 3 326.324 1.407 20 5 EDBDHN CCCCN1C(=O)c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2C1=O ZINC000813109920 593518636 /nfs/dbraw/zinc/51/86/36/593518636.db2.gz XMXNSYQPMRRLEE-SNVBAGLBSA-N 0 3 334.328 1.905 20 5 EDBDHN COC(=O)COc1c(C)cc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813114711 593518951 /nfs/dbraw/zinc/51/89/51/593518951.db2.gz VPUKMCQUTFHGOG-NSHDSACASA-N 0 3 325.317 1.677 20 5 EDBDHN CN(C[C@@H]1CCCN1C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000817373352 593597670 /nfs/dbraw/zinc/59/76/70/593597670.db2.gz NGVQBKHVKCPNBU-HNNXBMFYSA-N 0 3 330.392 1.837 20 5 EDBDHN C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820750313 593879181 /nfs/dbraw/zinc/87/91/81/593879181.db2.gz ATOLSXOJALAEEQ-LKFCYVNXSA-N 0 3 329.364 1.670 20 5 EDBDHN C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820750313 593879183 /nfs/dbraw/zinc/87/91/83/593879183.db2.gz ATOLSXOJALAEEQ-LKFCYVNXSA-N 0 3 329.364 1.670 20 5 EDBDHN C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820750313 593879185 /nfs/dbraw/zinc/87/91/85/593879185.db2.gz ATOLSXOJALAEEQ-LKFCYVNXSA-N 0 3 329.364 1.670 20 5 EDBDHN C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820750313 593879187 /nfs/dbraw/zinc/87/91/87/593879187.db2.gz ATOLSXOJALAEEQ-LKFCYVNXSA-N 0 3 329.364 1.670 20 5 EDBDHN CS[C@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000823968555 593897089 /nfs/dbraw/zinc/89/70/89/593897089.db2.gz WGCOATOELQNIBI-OLZOCXBDSA-N 0 3 339.421 1.686 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000824030908 593912586 /nfs/dbraw/zinc/91/25/86/593912586.db2.gz QRYFZPMCAGUYSD-ZDUSSCGKSA-N 0 3 348.403 1.404 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000823193591 594167706 /nfs/dbraw/zinc/16/77/06/594167706.db2.gz UOWZMHSGEWJSKZ-ZACQAIPSSA-N 0 3 347.415 1.661 20 5 EDBDHN CC(=O)c1ccc(N2CN(CCN(C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000826677938 594552937 /nfs/dbraw/zinc/55/29/37/594552937.db2.gz SMPCQFQXHSUCKQ-NSHDSACASA-N 0 3 334.376 1.354 20 5 EDBDHN CNC(=O)NCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879288 595086550 /nfs/dbraw/zinc/08/65/50/595086550.db2.gz IMLRMGIDOYLTLO-NOZJJQNGSA-N 0 3 327.312 1.394 20 5 EDBDHN COCC(=O)N(C)CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879385 595086922 /nfs/dbraw/zinc/08/69/22/595086922.db2.gz UQPLMJHEEGAMNI-BONVTDFDSA-N 0 3 342.323 1.180 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]CCCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000842922579 595235665 /nfs/dbraw/zinc/23/56/65/595235665.db2.gz QUBMCENNZINORT-UHFFFAOYSA-N 0 3 331.394 1.401 20 5 EDBDHN N[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000852760512 595531515 /nfs/dbraw/zinc/53/15/15/595531515.db2.gz HDJXCEWLAWFZBO-GHMZBOCLSA-N 0 3 330.747 1.558 20 5 EDBDHN O=C([N-]C[C@H]1CCC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763956 595599913 /nfs/dbraw/zinc/59/99/13/595599913.db2.gz BTLAYGYAOZDCPG-JTQLQIEISA-N 0 3 329.303 1.682 20 5 EDBDHN C[C@H]1CC[NH2+]C[C@H]1[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766870 595600935 /nfs/dbraw/zinc/60/09/35/595600935.db2.gz WSHOGLABVKOVAQ-JOYOIKCWSA-N 0 3 329.303 1.681 20 5 EDBDHN O=C([N-]CC12CC(C1)C[NH2+]2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768640 595602527 /nfs/dbraw/zinc/60/25/27/595602527.db2.gz UNYQKGBNOVDLQM-UHFFFAOYSA-N 0 3 327.287 1.435 20 5 EDBDHN O=C1N(CCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]2CCCCN12 ZINC000853118833 595671149 /nfs/dbraw/zinc/67/11/49/595671149.db2.gz RWVXRKIWBYVLJD-HZPDHXFCSA-N 0 3 348.403 1.508 20 5 EDBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCN1CC[C@@H](O)C1 ZINC000858812786 595897642 /nfs/dbraw/zinc/89/76/42/595897642.db2.gz SVGNQZVRYZGPBH-GFCCVEGCSA-N 0 3 336.348 1.030 20 5 EDBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H](C)N1 ZINC000858822556 595899461 /nfs/dbraw/zinc/89/94/61/595899461.db2.gz MPJHFKZGXPWBII-WDEREUQCSA-N 0 3 327.406 1.575 20 5 EDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852018537 596008492 /nfs/dbraw/zinc/00/84/92/596008492.db2.gz ODWRLNZWROPISE-SFHVURJKSA-N 0 3 343.383 1.442 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852037845 596017049 /nfs/dbraw/zinc/01/70/49/596017049.db2.gz BMZFMJHHPWZVRG-SFHVURJKSA-N 0 3 343.383 1.442 20 5 EDBDHN CCN1CCC(N2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000863499874 596600948 /nfs/dbraw/zinc/60/09/48/596600948.db2.gz KFUKWOKAIYWLEF-KRWDZBQOSA-N 0 3 346.387 1.846 20 5 EDBDHN COCCN(CC1CCN(C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000869770445 596624751 /nfs/dbraw/zinc/62/47/51/596624751.db2.gz VVOJXUUIASTGRK-UHFFFAOYSA-N 0 3 349.431 1.954 20 5 EDBDHN C[C@@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000872878369 597107223 /nfs/dbraw/zinc/10/72/23/597107223.db2.gz RLJUIMCXCUWRDU-RDBSUJKOSA-N 0 3 348.403 1.818 20 5 EDBDHN Cc1cc(OCC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874831261 597189630 /nfs/dbraw/zinc/18/96/30/597189630.db2.gz YXVPOSUOBBBCJP-CVEARBPZSA-N 0 3 333.388 1.977 20 5 EDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000874840949 597195120 /nfs/dbraw/zinc/19/51/20/597195120.db2.gz SFHAVYPIWKKLJZ-KBPBESRZSA-N 0 3 347.371 1.481 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H](CO)[C@H](CO)C3)o2)c1 ZINC000877764484 597553495 /nfs/dbraw/zinc/55/34/95/597553495.db2.gz FUCKTIBWRZXWGT-OKILXGFUSA-N 0 3 332.356 1.887 20 5 EDBDHN COc1ccc([C@@H]2CN(Cc3cn(C)nc3[N+](=O)[O-])CCN2)cc1 ZINC000879522990 597616842 /nfs/dbraw/zinc/61/68/42/597616842.db2.gz QLAATQDICIWCOZ-HNNXBMFYSA-N 0 3 331.376 1.483 20 5 EDBDHN CN(C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000128449229 282264353 /nfs/dbraw/zinc/26/43/53/282264353.db2.gz SLDOMDOGEHKEMP-ZDUSSCGKSA-N 0 3 348.403 1.208 20 5 EDBDHN Cc1ccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000124448834 138326816 /nfs/dbraw/zinc/32/68/16/138326816.db2.gz AUOLOJAAUGUWJL-INIZCTEOSA-N 0 3 347.415 1.974 20 5 EDBDHN C[C@H](C[S@](C)=O)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000130385272 138341053 /nfs/dbraw/zinc/34/10/53/138341053.db2.gz YMYLUHBWUOJJRL-DJNLSKAYSA-N 0 3 345.396 1.761 20 5 EDBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000020001577 212093355 /nfs/dbraw/zinc/09/33/55/212093355.db2.gz AMWDFAAUVZZQQV-UHFFFAOYSA-N 0 3 333.797 1.541 20 5 EDBDHN CC(C)[C@@](C)(CN)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000236834036 139033138 /nfs/dbraw/zinc/03/31/38/139033138.db2.gz UTRJBKJDIJFMEM-CQSZACIVSA-N 0 3 343.405 1.102 20 5 EDBDHN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCNCC1 ZINC000238016552 139066735 /nfs/dbraw/zinc/06/67/35/139066735.db2.gz FCUNBZSUQDQURW-UHFFFAOYSA-N 0 3 348.359 1.105 20 5 EDBDHN N[C@H]1C[C@@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000568415208 306481213 /nfs/dbraw/zinc/48/12/13/306481213.db2.gz KZHBJESFENSVDP-SCZZXKLOSA-N 0 3 345.186 1.650 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CC[NH2+]C2)c1C ZINC000262750119 139301064 /nfs/dbraw/zinc/30/10/64/139301064.db2.gz MZSPXXDYSADQOQ-GFCCVEGCSA-N 0 3 327.406 1.490 20 5 EDBDHN COc1cc(C[NH2+]CCCCS(C)(=O)=O)c([N+](=O)[O-])cc1[O-] ZINC000424175515 252153414 /nfs/dbraw/zinc/15/34/14/252153414.db2.gz USEAKQHBKMEXLO-UHFFFAOYSA-N 0 3 332.378 1.223 20 5 EDBDHN COc1cc(OCC(=O)N2CCC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425055663 252296251 /nfs/dbraw/zinc/29/62/51/252296251.db2.gz HXCDZJPRFYRRRW-SWLSCSKDSA-N 0 3 349.387 1.535 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC[NH+](C)C)cc1C ZINC000471643755 255015451 /nfs/dbraw/zinc/01/54/51/255015451.db2.gz SARVWRXNTPKROE-UHFFFAOYSA-N 0 3 345.421 1.068 20 5 EDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@]1(O)CN2CCC1CC2 ZINC000493550344 255214881 /nfs/dbraw/zinc/21/48/81/255214881.db2.gz HXZDQRQSZYLURJ-ZVVFDCPKSA-N 0 3 331.372 1.181 20 5 EDBDHN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@]1(O)CN2CCC1CC2 ZINC000493146075 255193162 /nfs/dbraw/zinc/19/31/62/255193162.db2.gz GSBJYECBTJBMSH-WVMJFEGXSA-N 0 3 349.362 1.320 20 5 EDBDHN COc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000118722681 221172782 /nfs/dbraw/zinc/17/27/82/221172782.db2.gz BFHCERCRRXHBRZ-UHFFFAOYSA-N 0 3 337.376 1.180 20 5 EDBDHN CC(C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)S(C)(=O)=O ZINC000154685406 224290573 /nfs/dbraw/zinc/29/05/73/224290573.db2.gz KMFZANPGULUJEP-JTQLQIEISA-N 0 3 326.374 1.519 20 5 EDBDHN C[C@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000266869035 139565718 /nfs/dbraw/zinc/56/57/18/139565718.db2.gz MNLJDPMPQKBGCJ-WCQYABFASA-N 0 3 327.406 1.669 20 5 EDBDHN COc1ccc(NC(=O)c2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000571418230 306565227 /nfs/dbraw/zinc/56/52/27/306565227.db2.gz XSBWRNFLMINWFV-UHFFFAOYSA-N 0 3 333.348 1.614 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)c1 ZINC000270089286 140044188 /nfs/dbraw/zinc/04/41/88/140044188.db2.gz JSTRHWCRNWMFRU-UHFFFAOYSA-N 0 3 344.371 1.879 20 5 EDBDHN CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000270984603 140213861 /nfs/dbraw/zinc/21/38/61/140213861.db2.gz DFIDAJSQJBQKHD-LSDHHAIUSA-N 0 3 337.445 1.950 20 5 EDBDHN COc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000331834122 141086564 /nfs/dbraw/zinc/08/65/64/141086564.db2.gz BPVWTQYAGIPWBU-LZWOXQAQSA-N 0 3 336.388 1.965 20 5 EDBDHN NC(=O)c1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)c([N+](=O)[O-])c1 ZINC000339764950 142149282 /nfs/dbraw/zinc/14/92/82/142149282.db2.gz VNWAGGFBDSAAOP-WBVHZDCISA-N 0 3 349.387 1.103 20 5 EDBDHN Cc1ncc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000346333081 143192968 /nfs/dbraw/zinc/19/29/68/143192968.db2.gz RHVOLQYVMWDTKU-JTQLQIEISA-N 0 3 345.359 1.906 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC000346650405 143226565 /nfs/dbraw/zinc/22/65/65/143226565.db2.gz CFDLVLLXRHPTAE-DGCLKSJQSA-N 0 3 338.360 1.866 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)N(C)C1 ZINC000346700734 143234332 /nfs/dbraw/zinc/23/43/32/143234332.db2.gz QTFPGXVQBCESMW-ZIAGYGMSSA-N 0 3 339.367 1.454 20 5 EDBDHN C[C@@H](CO)N1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000347127939 143285756 /nfs/dbraw/zinc/28/57/56/143285756.db2.gz HEYBENYVQIJBPJ-LBPRGKRZSA-N 0 3 339.367 1.192 20 5 EDBDHN Cc1c(NC(=O)CCN2[C@H](CO)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000347301955 143305650 /nfs/dbraw/zinc/30/56/50/143305650.db2.gz FCJFUYOERMAMDP-STQMWFEESA-N 0 3 337.376 1.049 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3ccncc3)C2)c1 ZINC000347713723 143353077 /nfs/dbraw/zinc/35/30/77/143353077.db2.gz CGGCTNLUHOIVCI-ZBFHGGJFSA-N 0 3 331.376 1.427 20 5 EDBDHN Cc1c(CNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000348025241 143392626 /nfs/dbraw/zinc/39/26/26/143392626.db2.gz TVUDUHHLLAWOHN-RISCZKNCSA-N 0 3 348.403 1.118 20 5 EDBDHN CN(C)CC(C)(C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000416507661 304326615 /nfs/dbraw/zinc/32/66/15/304326615.db2.gz LNVKOIFOBDXREV-UHFFFAOYSA-N 0 3 329.422 1.397 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Cc3ccccn3)CC2)c1 ZINC000369826665 155193198 /nfs/dbraw/zinc/19/31/98/155193198.db2.gz ZJWIDVGAXIBXQG-QGZVFWFLSA-N 0 3 345.403 1.502 20 5 EDBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000354916540 150030036 /nfs/dbraw/zinc/03/00/36/150030036.db2.gz GTRHBFVBTSYXNE-NWDGAFQWSA-N 0 3 347.375 1.805 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000354916539 150030555 /nfs/dbraw/zinc/03/05/55/150030555.db2.gz GTRHBFVBTSYXNE-NEPJUHHUSA-N 0 3 347.375 1.805 20 5 EDBDHN Cc1cc(NC[C@@]2(O)CCN(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358343586 151344048 /nfs/dbraw/zinc/34/40/48/151344048.db2.gz MTJXWVBOLNGJBW-KRWDZBQOSA-N 0 3 343.387 1.261 20 5 EDBDHN CN(C)C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(F)cc1 ZINC000360209714 151951051 /nfs/dbraw/zinc/95/10/51/151951051.db2.gz RJOYJWVSWOUHBX-LBPRGKRZSA-N 0 3 335.339 1.500 20 5 EDBDHN CNc1c(C(=O)N(C)CCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000361211183 152336430 /nfs/dbraw/zinc/33/64/30/152336430.db2.gz GBMCLIICQOLVNJ-UHFFFAOYSA-N 0 3 349.435 1.346 20 5 EDBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000367557725 154176080 /nfs/dbraw/zinc/17/60/80/154176080.db2.gz SSUWJUWOAKVVBG-CQSZACIVSA-N 0 3 343.387 1.675 20 5 EDBDHN COC(=O)[C@]12CCC[C@H]1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000371705159 156070955 /nfs/dbraw/zinc/07/09/55/156070955.db2.gz AHXSJSWHHGVKQI-QRTARXTBSA-N 0 3 334.372 1.903 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)c2nonc21 ZINC000375772637 157653734 /nfs/dbraw/zinc/65/37/34/157653734.db2.gz KDNNWJKQVCHXHY-GWCFXTLKSA-N 0 3 333.348 1.166 20 5 EDBDHN CCS(=O)(=O)N(C)CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178644541 286658994 /nfs/dbraw/zinc/65/89/94/286658994.db2.gz KROGWEBBLNQAPD-GFCCVEGCSA-N 0 3 329.422 1.917 20 5 EDBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(N3CCOCC3)CCCOC2)cc1 ZINC000378145963 158091347 /nfs/dbraw/zinc/09/13/47/158091347.db2.gz COFCSTMNJDQZEF-KRWDZBQOSA-N 0 3 335.404 1.566 20 5 EDBDHN COC(=O)CCC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090552079 287331055 /nfs/dbraw/zinc/33/10/55/287331055.db2.gz PCXPVKVTFBYKID-UHFFFAOYSA-N 0 3 337.376 1.422 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[NH2+]C[C@H]2C)c1C ZINC000262752844 273017872 /nfs/dbraw/zinc/01/78/72/273017872.db2.gz GUTBZVORZVFKLI-PWSUYJOCSA-N 0 3 327.406 1.488 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273058397 273026247 /nfs/dbraw/zinc/02/62/47/273026247.db2.gz WZHGYRSFPCADOY-XHDPSFHLSA-N 0 3 332.360 1.298 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273058393 273026268 /nfs/dbraw/zinc/02/62/68/273026268.db2.gz WZHGYRSFPCADOY-IAQYHMDHSA-N 0 3 332.360 1.298 20 5 EDBDHN CN1CC=C(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273105099 273028558 /nfs/dbraw/zinc/02/85/58/273028558.db2.gz MVRFNVMEJZBZSY-INIZCTEOSA-N 0 3 344.371 1.466 20 5 EDBDHN CN1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273410901 273036792 /nfs/dbraw/zinc/03/67/92/273036792.db2.gz HUZFXDWPEMVRAN-UHFFFAOYSA-N 0 3 327.406 1.052 20 5 EDBDHN COCCN(C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273967940 273063045 /nfs/dbraw/zinc/06/30/45/273063045.db2.gz QLSRZJKFFJVWLH-UHFFFAOYSA-N 0 3 341.383 1.706 20 5 EDBDHN CC(C)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CN1CCCC1 ZINC000277085870 273179789 /nfs/dbraw/zinc/17/97/89/273179789.db2.gz RILIBPPNXHUACY-UHFFFAOYSA-N 0 3 341.433 1.995 20 5 EDBDHN C[C@@H]1CN(CCCNC(=O)c2cccc([N+](=O)[O-])c2N)CCCO1 ZINC000277465709 273201351 /nfs/dbraw/zinc/20/13/51/273201351.db2.gz IDZCUQMZTWMGRH-GFCCVEGCSA-N 0 3 336.392 1.408 20 5 EDBDHN O=C([C@H]1CCCN1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000279682868 273318129 /nfs/dbraw/zinc/31/81/29/273318129.db2.gz HKDNGNSNZKUZJJ-QGZVFWFLSA-N 0 3 344.415 1.870 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCN1CCCS1(=O)=O ZINC000344870170 275398278 /nfs/dbraw/zinc/39/82/78/275398278.db2.gz XNCMAGOWEMQYIG-RAXLEYEMSA-N 0 3 339.417 1.623 20 5 EDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000151630898 277056417 /nfs/dbraw/zinc/05/64/17/277056417.db2.gz XGWQYYUSRVLGAY-CQSZACIVSA-N 0 3 336.367 1.477 20 5 EDBDHN COc1ccc([C@H](CN(C)C)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000286332994 287984243 /nfs/dbraw/zinc/98/42/43/287984243.db2.gz YYCRXAGUTNWVON-AWEZNQCLSA-N 0 3 347.375 1.219 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(CN(C)C)CCC1 ZINC000355307162 277840633 /nfs/dbraw/zinc/84/06/33/277840633.db2.gz KRMRPQJBVGEIQS-UHFFFAOYSA-N 0 3 343.405 1.366 20 5 EDBDHN CC(C)(C(=O)N[C@H](CO)CN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000413799230 278276623 /nfs/dbraw/zinc/27/66/23/278276623.db2.gz NJLVENQGRFFHBG-AWEZNQCLSA-N 0 3 349.431 1.835 20 5 EDBDHN O=[N+]([O-])c1cc(I)cc(CNCCCO)c1 ZINC000289799893 288781731 /nfs/dbraw/zinc/78/17/31/288781731.db2.gz IFSJRXGKGWGZKL-UHFFFAOYSA-N 0 3 336.129 1.671 20 5 EDBDHN Cc1ccnc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000367199826 292778598 /nfs/dbraw/zinc/77/85/98/292778598.db2.gz FJNKSCOQKNSVQT-GJZGRUSLSA-N 0 3 333.436 1.760 20 5 EDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247669782 290240510 /nfs/dbraw/zinc/24/05/10/290240510.db2.gz ZFWHBYMYIWHWFY-WFASDCNBSA-N 0 3 339.417 1.700 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000420001416 304724456 /nfs/dbraw/zinc/72/44/56/304724456.db2.gz RGQWDKMHAMNWNF-KRWDZBQOSA-N 0 3 337.420 1.691 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000420466436 304761845 /nfs/dbraw/zinc/76/18/45/304761845.db2.gz RKBXIIOTVFOPHE-SECBINFHSA-N 0 3 337.348 1.472 20 5 EDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000294804072 303147389 /nfs/dbraw/zinc/14/73/89/303147389.db2.gz FITGDBIHWYBYFV-UHFFFAOYSA-N 0 3 342.371 1.108 20 5 EDBDHN CC(C)(C(=O)N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295602277 303240559 /nfs/dbraw/zinc/24/05/59/303240559.db2.gz XEGWBWUVYGDVLM-OAHLLOKOSA-N 0 3 349.431 1.835 20 5 EDBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000377746179 447333865 /nfs/dbraw/zinc/33/38/65/447333865.db2.gz VBHQRHKBDHVSNJ-GRYCIOLGSA-N 0 3 336.396 1.268 20 5 EDBDHN C[C@@H]1CCCN1C(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440491699 305207943 /nfs/dbraw/zinc/20/79/43/305207943.db2.gz RQBXSVUKJPDXBY-ZIAGYGMSSA-N 0 3 347.419 1.877 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000044502308 440852060 /nfs/dbraw/zinc/85/20/60/440852060.db2.gz LLSHIHVPHGUCQQ-VIFPVBQESA-N 0 3 333.797 1.526 20 5 EDBDHN Cc1cc(C)n(CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665201 441247792 /nfs/dbraw/zinc/24/77/92/441247792.db2.gz NTZUUUKZYNTIFW-CQSZACIVSA-N 0 3 330.392 1.990 20 5 EDBDHN CCN1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000073082939 441290858 /nfs/dbraw/zinc/29/08/58/441290858.db2.gz PPQMRAIHWZTMGB-UHFFFAOYSA-N 0 3 349.387 1.463 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c(C)c1[N+](=O)[O-] ZINC000073988792 441378834 /nfs/dbraw/zinc/37/88/34/441378834.db2.gz ZIBNEBLGMUBXQB-KGLIPLIRSA-N 0 3 335.408 1.493 20 5 EDBDHN C[C@@H](NC(C)(C)CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000109276432 441493181 /nfs/dbraw/zinc/49/31/81/441493181.db2.gz MKBDIFQCTSEJCR-GFCCVEGCSA-N 0 3 346.391 1.432 20 5 EDBDHN Cc1n[nH]c(C(=O)NCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000089393364 441545767 /nfs/dbraw/zinc/54/57/67/441545767.db2.gz LTGDMIHNGLKWJC-UHFFFAOYSA-N 0 3 344.375 1.668 20 5 EDBDHN CN(CCC(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552268 441634032 /nfs/dbraw/zinc/63/40/32/441634032.db2.gz UIDURRIOSGNWLQ-UHFFFAOYSA-N 0 3 325.365 1.420 20 5 EDBDHN CN1C(=O)NC2(CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000090005828 441613202 /nfs/dbraw/zinc/61/32/02/441613202.db2.gz ZHFZUEKEGFFHIG-UHFFFAOYSA-N 0 3 332.360 1.154 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000041668580 441667609 /nfs/dbraw/zinc/66/76/09/441667609.db2.gz FYBVTQNERMWQMW-LBPRGKRZSA-N 0 3 348.403 1.690 20 5 EDBDHN CCN1CCN(CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000042595091 441757981 /nfs/dbraw/zinc/75/79/81/441757981.db2.gz MTBJZCKKSGHFNU-UHFFFAOYSA-N 0 3 348.447 1.671 20 5 EDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000069469765 441945162 /nfs/dbraw/zinc/94/51/62/441945162.db2.gz QDEUVNFWKFTXHC-CQSZACIVSA-N 0 3 348.403 1.757 20 5 EDBDHN Cc1nc(NCCCCN2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000150834939 441959941 /nfs/dbraw/zinc/95/99/41/441959941.db2.gz JWWKPLHYYKCHRD-UHFFFAOYSA-N 0 3 337.424 1.100 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000124878835 441961860 /nfs/dbraw/zinc/96/18/60/441961860.db2.gz OPMNIBAYSSNLOZ-RYUDHWBXSA-N 0 3 327.406 1.760 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCCCN1CCc2ccccc2C1 ZINC000161663558 442022388 /nfs/dbraw/zinc/02/23/88/442022388.db2.gz AGTYZSYGBQQUTG-UHFFFAOYSA-N 0 3 343.387 1.507 20 5 EDBDHN COC(=O)C(C)(C)CN[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000151797529 442121243 /nfs/dbraw/zinc/12/12/43/442121243.db2.gz OMQHBPSMBQFWCQ-ZDUSSCGKSA-N 0 3 335.360 1.489 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@@H](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000163028715 442139116 /nfs/dbraw/zinc/13/91/16/442139116.db2.gz OZNODOQFDLUOGM-RYUDHWBXSA-N 0 3 337.376 1.947 20 5 EDBDHN Cc1c(CC(=O)NC[C@@H](O)CN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000132121762 442387653 /nfs/dbraw/zinc/38/76/53/442387653.db2.gz FRZPLOVFPXBFMD-MRXNPFEDSA-N 0 3 349.431 1.655 20 5 EDBDHN CC(C)(NCCn1ccc([N+](=O)[O-])n1)C(=O)NCC1CCCCC1 ZINC000155338955 442388449 /nfs/dbraw/zinc/38/84/49/442388449.db2.gz OMUOZFIJYOQOBW-UHFFFAOYSA-N 0 3 337.424 1.856 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000178630038 442449689 /nfs/dbraw/zinc/44/96/89/442449689.db2.gz PNOXYAHLCINRAZ-QWHCGFSZSA-N 0 3 348.403 1.710 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccccc2)CN(C)C)n1 ZINC000191780594 442509990 /nfs/dbraw/zinc/50/99/90/442509990.db2.gz XTPNLPMBLCOGNL-CQSZACIVSA-N 0 3 345.403 1.714 20 5 EDBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H](c1ccccc1)N(C)C ZINC000186485887 442544155 /nfs/dbraw/zinc/54/41/55/442544155.db2.gz ZZZVTNCWVLZALV-NHYWBVRUSA-N 0 3 343.387 1.993 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000192917175 442697645 /nfs/dbraw/zinc/69/76/45/442697645.db2.gz OQDGWVZFXBMORF-TXEJJXNPSA-N 0 3 325.390 1.085 20 5 EDBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(-n2ccnn2)cc1 ZINC000182007704 442727449 /nfs/dbraw/zinc/72/74/49/442727449.db2.gz CWXPFTZNXJNOSA-GFCCVEGCSA-N 0 3 327.348 1.723 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H]1C(=O)NCC[C@@H]1C ZINC000193624740 442760806 /nfs/dbraw/zinc/76/08/06/442760806.db2.gz PGTGZNUYSZKKFB-ZUZCIYMTSA-N 0 3 334.376 1.346 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCN2CCCC2)cc1C ZINC000193703813 442769161 /nfs/dbraw/zinc/76/91/61/442769161.db2.gz FYHHZXMBXMCOTA-UHFFFAOYSA-N 0 3 341.433 1.976 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000268248195 442917210 /nfs/dbraw/zinc/91/72/10/442917210.db2.gz WLWIALCUSIZSHQ-IINYFYTJSA-N 0 3 337.351 1.712 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC000268307743 442941284 /nfs/dbraw/zinc/94/12/84/442941284.db2.gz YLBCOQAZLKFQTD-BXKDBHETSA-N 0 3 347.824 1.819 20 5 EDBDHN C[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000255337401 443094894 /nfs/dbraw/zinc/09/48/94/443094894.db2.gz SLXVNXVNVRVLAW-GTBONMDNSA-N 0 3 346.431 1.608 20 5 EDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000266441751 443127548 /nfs/dbraw/zinc/12/75/48/443127548.db2.gz MUVHSFPRUOWNHG-JOYOIKCWSA-N 0 3 326.303 1.781 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CCN(C)C1CC1 ZINC000185207501 443160879 /nfs/dbraw/zinc/16/08/79/443160879.db2.gz OOWUUKZUNLNZAA-UHFFFAOYSA-N 0 3 336.392 1.839 20 5 EDBDHN CCN1CCC(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000411457247 319183163 /nfs/dbraw/zinc/18/31/63/319183163.db2.gz NFTPROFLYMRWKE-CYBMUJFWSA-N 0 3 334.420 1.846 20 5 EDBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185804266 443260662 /nfs/dbraw/zinc/26/06/62/443260662.db2.gz WQMSGAKFHKUOBF-LBPRGKRZSA-N 0 3 327.406 1.557 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000267092205 443338953 /nfs/dbraw/zinc/33/89/53/443338953.db2.gz IQEZOIFHHVRQHP-CQSZACIVSA-N 0 3 327.381 1.901 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000264459557 443298859 /nfs/dbraw/zinc/29/88/59/443298859.db2.gz XRMNJZVALBLYOE-UHFFFAOYSA-N 0 3 341.433 1.967 20 5 EDBDHN C[C@H]1CN(CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000278601956 443374982 /nfs/dbraw/zinc/37/49/82/443374982.db2.gz QXYZLGAZTZJJTH-LBPRGKRZSA-N 0 3 339.367 1.965 20 5 EDBDHN C[C@@H]1CN(CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CCCO1 ZINC000278800381 443444204 /nfs/dbraw/zinc/44/42/04/443444204.db2.gz ZCODZKKFTQARKC-GFCCVEGCSA-N 0 3 336.392 1.408 20 5 EDBDHN O=[N+]([O-])c1c(N2CCN(C[C@@H]3CCOC3)CC2)nc2sccn21 ZINC000267425056 443453003 /nfs/dbraw/zinc/45/30/03/443453003.db2.gz VIUVPULWMQLGKW-NSHDSACASA-N 0 3 337.405 1.463 20 5 EDBDHN COC(=O)c1cnc(N2C[C@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286177812 443662788 /nfs/dbraw/zinc/66/27/88/443662788.db2.gz AIFDECUMOFNCOG-WCQYABFASA-N 0 3 334.376 1.839 20 5 EDBDHN C[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283877547 443752316 /nfs/dbraw/zinc/75/23/16/443752316.db2.gz FIDINCFBLXPYNC-ITDIGPHOSA-N 0 3 325.409 1.986 20 5 EDBDHN C[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283877571 443752334 /nfs/dbraw/zinc/75/23/34/443752334.db2.gz FIDINCFBLXPYNC-WBIUFABUSA-N 0 3 325.409 1.986 20 5 EDBDHN CCCc1n[nH]c(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288265194 443824940 /nfs/dbraw/zinc/82/49/40/443824940.db2.gz GSDRHPNRVHOEBJ-RYUDHWBXSA-N 0 3 335.408 1.969 20 5 EDBDHN O=C(N[C@@H](CO)CN1CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000288524821 443907764 /nfs/dbraw/zinc/90/77/64/443907764.db2.gz NWBDCKNHUSESBE-LLVKDONJSA-N 0 3 347.375 1.048 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000285246326 443911457 /nfs/dbraw/zinc/91/14/57/443911457.db2.gz LOYUHNVKIXZYRF-NSNJOPQOSA-N 0 3 345.399 1.930 20 5 EDBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCN(C)C ZINC000552310919 320925916 /nfs/dbraw/zinc/92/59/16/320925916.db2.gz OPQUMPQZXPEJNZ-SECBINFHSA-N 0 3 342.783 1.044 20 5 EDBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285650113 444060294 /nfs/dbraw/zinc/06/02/94/444060294.db2.gz SHQONAZZFACUQO-UHFFFAOYSA-N 0 3 333.348 1.648 20 5 EDBDHN CN(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1O ZINC000566452305 321231610 /nfs/dbraw/zinc/23/16/10/321231610.db2.gz GNDOMZLRVOHYDY-RYUDHWBXSA-N 0 3 347.293 1.361 20 5 EDBDHN CC(=O)c1cccc(OC[C@H](O)CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000567688194 321252478 /nfs/dbraw/zinc/25/24/78/321252478.db2.gz KPILSDWZYXWTBC-OAHLLOKOSA-N 0 3 348.359 1.023 20 5 EDBDHN CN(C)CCn1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000570812711 321359220 /nfs/dbraw/zinc/35/92/20/321359220.db2.gz BTVYUBGOZAXMMR-UHFFFAOYSA-N 0 3 331.376 1.325 20 5 EDBDHN Cc1cnccc1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573479279 321456003 /nfs/dbraw/zinc/45/60/03/321456003.db2.gz VCVXOWSNNHMQJE-UHFFFAOYSA-N 0 3 349.412 1.904 20 5 EDBDHN CN(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1O ZINC000576120647 321544119 /nfs/dbraw/zinc/54/41/19/321544119.db2.gz LZTCNWWBMHGRHM-RYUDHWBXSA-N 0 3 347.293 1.361 20 5 EDBDHN CN(C[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000289713008 444193896 /nfs/dbraw/zinc/19/38/96/444193896.db2.gz GJACZRWDHGZXPY-KRWDZBQOSA-N 0 3 334.420 1.172 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000290362047 444271779 /nfs/dbraw/zinc/27/17/79/444271779.db2.gz GPDROAYLHGSKHN-AWEZNQCLSA-N 0 3 349.366 1.658 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(CO)CC1 ZINC000304256644 444244432 /nfs/dbraw/zinc/24/44/32/444244432.db2.gz ZRSNAZQKEFSLAL-UHFFFAOYSA-N 0 3 335.360 1.597 20 5 EDBDHN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000322018919 444338398 /nfs/dbraw/zinc/33/83/98/444338398.db2.gz CHNSFTHGLZENLL-NSHDSACASA-N 0 3 343.380 1.593 20 5 EDBDHN CC(C)N1CCN(C2CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000340588133 444451241 /nfs/dbraw/zinc/45/12/41/444451241.db2.gz HISCCDHQRBMBQU-UHFFFAOYSA-N 0 3 333.436 1.985 20 5 EDBDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340625333 444463893 /nfs/dbraw/zinc/46/38/93/444463893.db2.gz URYCBZFWXPUYTP-JJMVLAAESA-N 0 3 346.387 1.569 20 5 EDBDHN CO[C@@H]1COC[C@H]1NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000581189378 322147373 /nfs/dbraw/zinc/14/73/73/322147373.db2.gz LWHBLNPMAPRNHJ-UKRRQHHQSA-N 0 3 333.344 1.796 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000581726574 322214123 /nfs/dbraw/zinc/21/41/23/322214123.db2.gz SXCQAGDXHCOYGL-TZMCWYRMSA-N 0 3 342.417 1.509 20 5 EDBDHN COc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000341016047 444632980 /nfs/dbraw/zinc/63/29/80/444632980.db2.gz LGUJILNZNHIKTM-KGLIPLIRSA-N 0 3 348.403 1.982 20 5 EDBDHN CNC(=O)N[C@@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342365792 444658433 /nfs/dbraw/zinc/65/84/33/444658433.db2.gz VQUNLWCYXKRHAZ-GFCCVEGCSA-N 0 3 349.391 1.235 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000343887083 444647371 /nfs/dbraw/zinc/64/73/71/444647371.db2.gz FKPUPCPAOGCHAJ-AAEUAGOBSA-N 0 3 336.392 1.885 20 5 EDBDHN CC1CCN(C[C@H](O)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000341583067 444906642 /nfs/dbraw/zinc/90/66/42/444906642.db2.gz DFINPVAUNZLXPI-OAHLLOKOSA-N 0 3 339.367 1.557 20 5 EDBDHN COC[C@@H]1C[C@@H](OC)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344370955 444924989 /nfs/dbraw/zinc/92/49/89/444924989.db2.gz PUEBMLTZCNHATL-OFQRWUPVSA-N 0 3 340.376 1.070 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCN1C ZINC000343473928 445229609 /nfs/dbraw/zinc/22/96/09/445229609.db2.gz CMQNVIOZAHMNAN-WFASDCNBSA-N 0 3 343.387 1.993 20 5 EDBDHN CN(C)CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000362945549 445621077 /nfs/dbraw/zinc/62/10/77/445621077.db2.gz QBYCTXZTAFPLHC-UHFFFAOYSA-N 0 3 326.422 1.366 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000363063170 445665427 /nfs/dbraw/zinc/66/54/27/445665427.db2.gz WDEHETQZBNVLBG-ONGXEEELSA-N 0 3 341.314 1.466 20 5 EDBDHN COc1ccc(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC000349773321 445673331 /nfs/dbraw/zinc/67/33/31/445673331.db2.gz FTRZIALTXUISRL-NSHDSACASA-N 0 3 345.421 1.610 20 5 EDBDHN CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000363507400 445836905 /nfs/dbraw/zinc/83/69/05/445836905.db2.gz VWPUPOFZAAPSKC-FMKPAKJESA-N 0 3 337.424 1.101 20 5 EDBDHN CN(C)CCN1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363727061 445872424 /nfs/dbraw/zinc/87/24/24/445872424.db2.gz YJHAZBRTYDQRKZ-UHFFFAOYSA-N 0 3 327.816 1.717 20 5 EDBDHN CN1CCC(CCO)(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000354148122 445945561 /nfs/dbraw/zinc/94/55/61/445945561.db2.gz KJRLKWCEMLKEOJ-UHFFFAOYSA-N 0 3 341.795 1.825 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(N2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000420285382 446450904 /nfs/dbraw/zinc/45/09/04/446450904.db2.gz OYMMJBMDSIHYNY-LBPRGKRZSA-N 0 3 332.364 1.495 20 5 EDBDHN O=C(CCN1CCSC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411314935 446487828 /nfs/dbraw/zinc/48/78/28/446487828.db2.gz GFKUBJXYORQKLW-CQSZACIVSA-N 0 3 339.417 1.723 20 5 EDBDHN O=C([C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000376553802 446572940 /nfs/dbraw/zinc/57/29/40/446572940.db2.gz OFCRRLYRQDMVSL-CQSZACIVSA-N 0 3 333.388 1.918 20 5 EDBDHN N[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000420417079 446589796 /nfs/dbraw/zinc/58/97/96/446589796.db2.gz KJHWYTIDDFFGJV-HNNXBMFYSA-N 0 3 349.412 1.757 20 5 EDBDHN C[C@H](N[C@@H](CO)[C@@H]1CCCOC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411993707 446778386 /nfs/dbraw/zinc/77/83/86/446778386.db2.gz LXZDCSOCQRASGC-ZOWXZIJZSA-N 0 3 337.376 1.299 20 5 EDBDHN CN1CC[C@@]2(CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000368318751 446782653 /nfs/dbraw/zinc/78/26/53/446782653.db2.gz UDLPHULABJHCAK-OAHLLOKOSA-N 0 3 339.417 1.452 20 5 EDBDHN COC(=O)[C@@H]1CSCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000412082857 446841700 /nfs/dbraw/zinc/84/17/00/446841700.db2.gz RSNSUKDZZMSJEN-LBPRGKRZSA-N 0 3 340.401 1.812 20 5 EDBDHN CC[C@H](C)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420975007 446948204 /nfs/dbraw/zinc/94/82/04/446948204.db2.gz PTBCXYMRLZKYRK-LBPRGKRZSA-N 0 3 329.422 1.851 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000368591174 446964178 /nfs/dbraw/zinc/96/41/78/446964178.db2.gz LWSQRDYTEAFDKM-KBPBESRZSA-N 0 3 335.408 1.351 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425061077 447008195 /nfs/dbraw/zinc/00/81/95/447008195.db2.gz XWPOIVFUWAJQOM-DZGCQCFKSA-N 0 3 333.388 1.916 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1CCCO ZINC000421881335 447267329 /nfs/dbraw/zinc/26/73/29/447267329.db2.gz BJFUNWNYPMUBKL-CQSZACIVSA-N 0 3 335.404 1.788 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCCN1C ZINC000450547798 447522907 /nfs/dbraw/zinc/52/29/07/447522907.db2.gz PECSUBWVKWDJGE-JSGCOSHPSA-N 0 3 343.387 1.993 20 5 EDBDHN CN(C)C[C@H]1CCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427742412 447640984 /nfs/dbraw/zinc/64/09/84/447640984.db2.gz PERYFFLZJPCTII-OAHLLOKOSA-N 0 3 343.387 1.947 20 5 EDBDHN Cc1cc(S(=O)(=O)NCCN(C)C(C)C)c(C)cc1[N+](=O)[O-] ZINC000416475008 447615936 /nfs/dbraw/zinc/61/59/36/447615936.db2.gz SMYOZOXJOOEMOY-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN CC(C)(C)N1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000523324262 447878586 /nfs/dbraw/zinc/87/85/86/447878586.db2.gz RGNIFWCWUUOMON-UHFFFAOYSA-N 0 3 336.392 1.089 20 5 EDBDHN Cn1c(C(=O)Nc2ccn(C3CCN(C)CC3)n2)ccc1[N+](=O)[O-] ZINC000489997699 447884800 /nfs/dbraw/zinc/88/48/00/447884800.db2.gz IEYYUVSURWOGSR-UHFFFAOYSA-N 0 3 332.364 1.649 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000526920547 448117767 /nfs/dbraw/zinc/11/77/67/448117767.db2.gz DDOQLAHVODCHRP-JTQLQIEISA-N 0 3 338.339 1.130 20 5 EDBDHN O=C1C[C@@H](N2C[C@@H]3CCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000532049112 448189220 /nfs/dbraw/zinc/18/92/20/448189220.db2.gz WJFGJLZDWIMXJI-TYNCELHUSA-N 0 3 329.356 1.959 20 5 EDBDHN CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000516474869 448426672 /nfs/dbraw/zinc/42/66/72/448426672.db2.gz CGOVDGACFFFYSZ-RISCZKNCSA-N 0 3 339.392 1.929 20 5 EDBDHN O=C(NCCCNCc1cccnc1)NCc1cccc([N+](=O)[O-])c1 ZINC000567714714 448746591 /nfs/dbraw/zinc/74/65/91/448746591.db2.gz SVNUQPMKBOANNY-UHFFFAOYSA-N 0 3 343.387 1.969 20 5 EDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000579233684 448748530 /nfs/dbraw/zinc/74/85/30/448748530.db2.gz SULPWTQPIHFAAG-LLVKDONJSA-N 0 3 329.259 1.051 20 5 EDBDHN CN(C)[C@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000579278310 448759428 /nfs/dbraw/zinc/75/94/28/448759428.db2.gz PALYEMPHFNFLSJ-DZGCQCFKSA-N 0 3 349.387 1.820 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCN1 ZINC000592241790 448759810 /nfs/dbraw/zinc/75/98/10/448759810.db2.gz HYFRUIRVJBDBRM-CQSZACIVSA-N 0 3 343.387 1.851 20 5 EDBDHN Cc1c(CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588861935 448941631 /nfs/dbraw/zinc/94/16/31/448941631.db2.gz ZKYNVBGRVHWZMI-HUUCEWRRSA-N 0 3 333.388 1.113 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595618457 449083600 /nfs/dbraw/zinc/08/36/00/449083600.db2.gz YFDLCVKEAOORGR-CQSZACIVSA-N 0 3 337.376 1.683 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 ZINC000592899883 449043843 /nfs/dbraw/zinc/04/38/43/449043843.db2.gz VGLUSXOVCCZZOD-UHFFFAOYSA-N 0 3 337.351 1.671 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(Cn2cnnc2)CC1 ZINC000593075939 449123377 /nfs/dbraw/zinc/12/33/77/449123377.db2.gz JINWFXVRGSFSCM-UHFFFAOYSA-N 0 3 331.376 1.977 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590281839 449124772 /nfs/dbraw/zinc/12/47/72/449124772.db2.gz SEDABKKRSXXLOV-WFASDCNBSA-N 0 3 346.387 1.258 20 5 EDBDHN C[C@@H](O)[C@H]1CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595766151 449155417 /nfs/dbraw/zinc/15/54/17/449155417.db2.gz MKUBLYYFFFLPKG-DGCLKSJQSA-N 0 3 335.360 1.738 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)[C@H]2C1 ZINC000590442966 449164752 /nfs/dbraw/zinc/16/47/52/449164752.db2.gz CHIMCFXHTSTXJA-WBMJQRKESA-N 0 3 341.371 1.557 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595788424 449166564 /nfs/dbraw/zinc/16/65/64/449166564.db2.gz NTLCPXXTTOXZAL-CVEARBPZSA-N 0 3 338.408 1.433 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000590589899 449204841 /nfs/dbraw/zinc/20/48/41/449204841.db2.gz SKPYWRJGTXVDBF-NEPJUHHUSA-N 0 3 327.406 1.616 20 5 EDBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CCN1C1CCCCC1 ZINC000600230036 449256409 /nfs/dbraw/zinc/25/64/09/449256409.db2.gz OTQBALWGLNURRR-CQSZACIVSA-N 0 3 348.403 1.280 20 5 EDBDHN Cn1nnnc1CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611314615 449260749 /nfs/dbraw/zinc/26/07/49/449260749.db2.gz SLVOTVCLCHIPII-UHFFFAOYSA-N 0 3 328.332 1.711 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593450513 449290288 /nfs/dbraw/zinc/29/02/88/449290288.db2.gz NIWWLKRXFNTLHW-CQSZACIVSA-N 0 3 339.367 1.503 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)nc1 ZINC000593556367 449347050 /nfs/dbraw/zinc/34/70/50/449347050.db2.gz HWCJFKQJWFXGRM-GFCCVEGCSA-N 0 3 340.405 1.096 20 5 EDBDHN CCN1CCN(CCNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000596073969 449349557 /nfs/dbraw/zinc/34/95/57/449349557.db2.gz OZHQHKIGHRMLIT-UHFFFAOYSA-N 0 3 326.372 1.792 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCN1 ZINC000598573031 449472154 /nfs/dbraw/zinc/47/21/54/449472154.db2.gz OAHUZZTWTSFEBQ-AWEZNQCLSA-N 0 3 343.387 1.851 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000612453440 449714123 /nfs/dbraw/zinc/71/41/23/449714123.db2.gz RCQSGUCFHQBJGA-UHFFFAOYSA-N 0 3 336.440 1.182 20 5 EDBDHN C[C@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1ccc([N+](=O)[O-])cc1 ZINC000599063798 449715198 /nfs/dbraw/zinc/71/51/98/449715198.db2.gz HXFLHLQAYQFIRW-KSSFIOAISA-N 0 3 349.431 1.861 20 5 EDBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594774191 449686942 /nfs/dbraw/zinc/68/69/42/449686942.db2.gz XXRDYRCLBYORJL-LLVKDONJSA-N 0 3 342.421 1.341 20 5 EDBDHN CO[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCOC1 ZINC000594951750 449817607 /nfs/dbraw/zinc/81/76/07/449817607.db2.gz NBPTUOFFCAPZLY-ZBEGNZNMSA-N 0 3 338.360 1.507 20 5 EDBDHN COC(=O)COc1ccc(CN(C)CC2CN(C)C2)cc1[N+](=O)[O-] ZINC000597204683 449869402 /nfs/dbraw/zinc/86/94/02/449869402.db2.gz DCXYTRFQFKMZAC-UHFFFAOYSA-N 0 3 337.376 1.140 20 5 EDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000602913149 449917021 /nfs/dbraw/zinc/91/70/21/449917021.db2.gz MHEMBGSWRNLNOB-AWEZNQCLSA-N 0 3 337.424 1.367 20 5 EDBDHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000603052103 450036059 /nfs/dbraw/zinc/03/60/59/450036059.db2.gz HGAAVFJDJSEKRG-CWRNSKLLSA-N 0 3 333.388 1.271 20 5 EDBDHN CN(C)C[C@H](CO)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000597655640 450174265 /nfs/dbraw/zinc/17/42/65/450174265.db2.gz ZNSNZNUFUPDZDX-CYBMUJFWSA-N 0 3 344.371 1.309 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000613704934 450272399 /nfs/dbraw/zinc/27/23/99/450272399.db2.gz YKXJCJGBYZYHIU-ZDUSSCGKSA-N 0 3 344.419 1.976 20 5 EDBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609532614 485535563 /nfs/dbraw/zinc/53/55/63/485535563.db2.gz IBYYSALWEVCYAL-UHFFFAOYSA-N 0 3 336.392 1.688 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000154545808 534618264 /nfs/dbraw/zinc/61/82/64/534618264.db2.gz ITSUAZFLQGAFQA-UHFFFAOYSA-N 0 3 335.408 1.577 20 5 EDBDHN CCN(CCO)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183977351 528535101 /nfs/dbraw/zinc/53/51/01/528535101.db2.gz LJQLFIZVOZOPCD-UHFFFAOYSA-N 0 3 329.784 1.221 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270527498 535950447 /nfs/dbraw/zinc/95/04/47/535950447.db2.gz NUHNGKLNJPXGPC-INIZCTEOSA-N 0 3 334.376 1.047 20 5 EDBDHN Cc1ccccc1[C@H](O)CN[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000741775623 579427606 /nfs/dbraw/zinc/42/76/06/579427606.db2.gz LSPUEMPXJXNQIL-KURKYZTESA-N 0 3 346.383 1.621 20 5 EDBDHN CN(CC1CCN(C)CC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000728881752 578553689 /nfs/dbraw/zinc/55/36/89/578553689.db2.gz OLDGJSHRTUVYOU-UHFFFAOYSA-N 0 3 345.403 1.745 20 5 EDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C[NH+]1CCCC1 ZINC000736027058 578947783 /nfs/dbraw/zinc/94/77/83/578947783.db2.gz WLMCZOYFYQRZFU-JTQLQIEISA-N 0 3 332.368 1.314 20 5 EDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C[NH+]1CCCC1 ZINC000736027058 578947784 /nfs/dbraw/zinc/94/77/84/578947784.db2.gz WLMCZOYFYQRZFU-JTQLQIEISA-N 0 3 332.368 1.314 20 5 EDBDHN Cc1nn(CN2CCC(OCCN(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000738211187 579172823 /nfs/dbraw/zinc/17/28/23/579172823.db2.gz SRCAUOXIGZHWTQ-UHFFFAOYSA-N 0 3 325.413 1.408 20 5 EDBDHN CN(C)C[C@@H]1CCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000756933259 579960403 /nfs/dbraw/zinc/96/04/03/579960403.db2.gz NEPCLCHZCSFCFP-AWEZNQCLSA-N 0 3 331.376 1.497 20 5 EDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000758773449 579991512 /nfs/dbraw/zinc/99/15/12/579991512.db2.gz YSQJSUUAOFRQRC-JKSUJKDBSA-N 0 3 348.403 1.300 20 5 EDBDHN CN1CC[C@](O)(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000762817081 580084458 /nfs/dbraw/zinc/08/44/58/580084458.db2.gz BHTNLCWHPHXQTP-ZDUSSCGKSA-N 0 3 328.756 1.436 20 5 EDBDHN O=C(CN[C@H](CCO)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000771804324 580294766 /nfs/dbraw/zinc/29/47/66/580294766.db2.gz RNEUIHJWOAHXLR-LLVKDONJSA-N 0 3 327.768 1.937 20 5 EDBDHN Cc1nn(CN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000779868607 580500301 /nfs/dbraw/zinc/50/03/01/580500301.db2.gz ZMFQHMDBFBPYAY-HIFRSBDPSA-N 0 3 336.440 1.015 20 5 EDBDHN C[C@@H]1CCCN1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000783918275 580608365 /nfs/dbraw/zinc/60/83/65/580608365.db2.gz QJZZALFSBYVPFS-LLVKDONJSA-N 0 3 335.360 1.580 20 5 EDBDHN Cc1c(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000790293232 580766188 /nfs/dbraw/zinc/76/61/88/580766188.db2.gz VJKXCXAVVLBRSJ-CABCVRRESA-N 0 3 348.403 1.566 20 5 EDBDHN CN1CCN(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1(C)C ZINC000799744877 581035891 /nfs/dbraw/zinc/03/58/91/581035891.db2.gz SBOWHKLBKALHBA-UHFFFAOYSA-N 0 3 338.383 1.490 20 5 EDBDHN CCN1CCN(c2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)CC1 ZINC000801601508 581081269 /nfs/dbraw/zinc/08/12/69/581081269.db2.gz IGXFBAWYSJPUFP-UHFFFAOYSA-N 0 3 344.375 1.712 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CCN(C)CCO ZINC000894590369 591350613 /nfs/dbraw/zinc/35/06/13/591350613.db2.gz FNMYQEVUCILWOW-UHFFFAOYSA-N 0 3 345.783 1.395 20 5 EDBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000898038126 591764849 /nfs/dbraw/zinc/76/48/49/591764849.db2.gz GSGXPIWTRWVKHA-GFCCVEGCSA-N 0 3 349.387 1.970 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)C[C@@]2(O)CCCN(C)C2)cc1[N+](=O)[O-] ZINC000900966930 592187435 /nfs/dbraw/zinc/18/74/35/592187435.db2.gz IPDGNPIXAIDAOD-GUYCJALGSA-N 0 3 335.404 1.927 20 5 EDBDHN CC[C@@H](NC(=O)C1CN(C)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000906916213 592424562 /nfs/dbraw/zinc/42/45/62/592424562.db2.gz WZCCWSWEOHJOAG-MRXNPFEDSA-N 0 3 334.420 1.656 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906530216 592843105 /nfs/dbraw/zinc/84/31/05/592843105.db2.gz WMTIIJUZVXACLV-LBPRGKRZSA-N 0 3 349.387 1.922 20 5 EDBDHN Cc1nn(CN2CCN(C3CCOCC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000782900093 593129850 /nfs/dbraw/zinc/12/98/50/593129850.db2.gz XCFKGGUQBRMJHO-LBPRGKRZSA-N 0 3 337.424 1.551 20 5 EDBDHN Cc1nnc([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH]1 ZINC000839661076 593359709 /nfs/dbraw/zinc/35/97/09/593359709.db2.gz JRKKEAYLLLHQFZ-NSHDSACASA-N 0 3 332.320 1.919 20 5 EDBDHN CCOc1ccccc1N1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813103125 593517399 /nfs/dbraw/zinc/51/73/99/593517399.db2.gz OEYIFLVGFXQXHR-RYUDHWBXSA-N 0 3 336.344 1.647 20 5 EDBDHN COc1ccc(CN2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813103193 593517543 /nfs/dbraw/zinc/51/75/43/593517543.db2.gz APYDCQWOWAPQQO-DGCLKSJQSA-N 0 3 336.344 1.252 20 5 EDBDHN CCOc1cc(C(=O)OCC(C)[N+](=O)[O-])c([N+](=O)[O-])cc1OC ZINC000813106520 593518192 /nfs/dbraw/zinc/51/81/92/593518192.db2.gz CVGONNDFNGLTGW-QMMMGPOBSA-N 0 3 328.277 1.824 20 5 EDBDHN CC(COC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)[N+](=O)[O-] ZINC000813113842 593518918 /nfs/dbraw/zinc/51/89/18/593518918.db2.gz JVKNICZNLAPCFW-ZJUUUORDSA-N 0 3 342.373 1.219 20 5 EDBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)c2ccc(F)cc2Cl)c1 ZINC000819175908 593742984 /nfs/dbraw/zinc/74/29/84/593742984.db2.gz CZPGOSWAGFKFKI-CYBMUJFWSA-N 0 3 328.731 1.907 20 5 EDBDHN CS(=O)(=O)CC1(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819376958 593752596 /nfs/dbraw/zinc/75/25/96/593752596.db2.gz LAUWUPTWGWXOFA-AWEZNQCLSA-N 0 3 342.417 1.433 20 5 EDBDHN COCCCN(C)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823986598 593902105 /nfs/dbraw/zinc/90/21/05/593902105.db2.gz KFUSYLAXSUWWEG-UHFFFAOYSA-N 0 3 325.369 1.267 20 5 EDBDHN C[NH+](C)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825870471 594266178 /nfs/dbraw/zinc/26/61/78/594266178.db2.gz NRIALHZHEQWPSR-UHFFFAOYSA-N 0 3 328.336 1.297 20 5 EDBDHN C[NH+](C)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825870471 594266179 /nfs/dbraw/zinc/26/61/79/594266179.db2.gz NRIALHZHEQWPSR-UHFFFAOYSA-N 0 3 328.336 1.297 20 5 EDBDHN COCCCN(C)CCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000828686846 594480273 /nfs/dbraw/zinc/48/02/73/594480273.db2.gz VPNXVXFQCPENRB-UHFFFAOYSA-N 0 3 345.346 1.880 20 5 EDBDHN O=C(CCN1CC[C@](O)(C(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000831181246 594576594 /nfs/dbraw/zinc/57/65/94/594576594.db2.gz IHJOZSQGCQVDHR-CQSZACIVSA-N 0 3 347.293 1.764 20 5 EDBDHN CCO[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)CN(C)C ZINC000831752151 594699544 /nfs/dbraw/zinc/69/95/44/594699544.db2.gz WCBXCWSTTCKHAX-OAHLLOKOSA-N 0 3 348.403 1.632 20 5 EDBDHN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000841151437 594859263 /nfs/dbraw/zinc/85/92/63/594859263.db2.gz VIWBEKBFILOSNI-UHFFFAOYSA-N 0 3 348.403 1.653 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CN(C)C)cc1Cl ZINC000836779782 594997231 /nfs/dbraw/zinc/99/72/31/594997231.db2.gz VETWJJPYBQBHGG-CQSZACIVSA-N 0 3 329.784 1.599 20 5 EDBDHN CC(=O)c1ccc(N2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000845635940 595036371 /nfs/dbraw/zinc/03/63/71/595036371.db2.gz SABCEVQOGJLCGF-UHFFFAOYSA-N 0 3 334.376 1.008 20 5 EDBDHN CC([C@@H](OC(=O)CCNS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845878985 595086334 /nfs/dbraw/zinc/08/63/34/595086334.db2.gz UMNUTLVJXDDFSA-NOZJJQNGSA-N 0 3 348.352 1.015 20 5 EDBDHN CC([C@H](OC(=O)C[C@@H]1CCC(=O)NC1)c1ccccc1F)[N+](=O)[O-] ZINC000845882976 595087499 /nfs/dbraw/zinc/08/74/99/595087499.db2.gz QPZCHWWFGBGIOT-GDLVEWKHSA-N 0 3 338.335 1.992 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000834353693 595100954 /nfs/dbraw/zinc/10/09/54/595100954.db2.gz MLIPBIFZATWVOA-IRXDYDNUSA-N 0 3 334.347 1.961 20 5 EDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306675 595357684 /nfs/dbraw/zinc/35/76/84/595357684.db2.gz XGXRDSSHXNCRPD-VGQMVEDTSA-N 0 3 331.372 1.276 20 5 EDBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN(C)C1 ZINC000855363742 595686786 /nfs/dbraw/zinc/68/67/86/595686786.db2.gz WHBWMSOXSILTAC-LLVKDONJSA-N 0 3 325.340 1.665 20 5 EDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855902649 595852249 /nfs/dbraw/zinc/85/22/49/595852249.db2.gz JOVXSRGUQUMTDB-CJNGLKHVSA-N 0 3 335.404 1.865 20 5 EDBDHN CC(C)NC(=O)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852696544 596229308 /nfs/dbraw/zinc/22/93/08/596229308.db2.gz CJFPIVVVEPNIJE-HOCLYGCPSA-N 0 3 335.404 1.865 20 5 EDBDHN CC[C@@H](NC[C@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866518882 596238359 /nfs/dbraw/zinc/23/83/59/596238359.db2.gz IMCKALMIAMONFS-ZBFHGGJFSA-N 0 3 335.360 1.857 20 5 EDBDHN Cc1ccc([C@@H](C)NC[C@@]23COC(=O)N2CCOC3)cc1[N+](=O)[O-] ZINC000866519931 596238972 /nfs/dbraw/zinc/23/89/72/596238972.db2.gz YHWKGOAQJLIJLW-MLGOLLRUSA-N 0 3 335.360 1.775 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000866753883 596322627 /nfs/dbraw/zinc/32/26/27/596322627.db2.gz GVVOQGSTTBALQE-NSHDSACASA-N 0 3 345.396 1.662 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000866753883 596322629 /nfs/dbraw/zinc/32/26/29/596322629.db2.gz GVVOQGSTTBALQE-NSHDSACASA-N 0 3 345.396 1.662 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000867947052 596629518 /nfs/dbraw/zinc/62/95/18/596629518.db2.gz YAERLDNEXKUQAQ-IFIJOSMWSA-N 0 3 334.420 1.710 20 5 EDBDHN CN1CCN(C2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000866214136 596830483 /nfs/dbraw/zinc/83/04/83/596830483.db2.gz KAMJJCJBYJDHLO-UHFFFAOYSA-N 0 3 346.391 1.347 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@H]3[C@H]2CCCN3C)c(C)c1[N+](=O)[O-] ZINC000874840569 597193630 /nfs/dbraw/zinc/19/36/30/597193630.db2.gz PJBCKTPXTYHYNM-UONOGXRCSA-N 0 3 335.408 1.493 20 5 EDBDHN COc1ccc([C@H]2CN(CCn3c(C)ncc3[N+](=O)[O-])CCN2)cc1 ZINC000879523196 597616839 /nfs/dbraw/zinc/61/68/39/597616839.db2.gz VHFVATMIUBINKS-MRXNPFEDSA-N 0 3 345.403 1.755 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)C2(CF)CC2)CC1 ZINC000996987526 703245087 /nfs/dbraw/zinc/24/50/87/703245087.db2.gz IXPKUFXDTMZWTF-UHFFFAOYSA-N 0 3 339.371 1.159 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)CCC2CC2)CC1 ZINC000997630851 703927447 /nfs/dbraw/zinc/92/74/47/703927447.db2.gz UBUQEWLFCCXNED-UHFFFAOYSA-N 0 3 349.435 1.847 20 5 EDBDHN COc1cc(CNCCc2cc(C)n(C)n2)c([N+](=O)[O-])cc1OC ZINC000922689656 704237574 /nfs/dbraw/zinc/23/75/74/704237574.db2.gz KKWCDSDWJSOAJJ-UHFFFAOYSA-N 0 3 334.376 1.986 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174857831 231325893 /nfs/dbraw/zinc/32/58/93/231325893.db2.gz JFDWKOHZAKJKSR-OAHLLOKOSA-N 0 3 329.404 1.998 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104556057 219394079 /nfs/dbraw/zinc/39/40/79/219394079.db2.gz KSNPJZZIPHWIKN-UHFFFAOYSA-N 0 3 340.336 1.153 20 5 EDBDHN CC(C)c1ccc(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563430415 306332778 /nfs/dbraw/zinc/33/27/78/306332778.db2.gz BEYUCZVRRBHWIK-DZGCQCFKSA-N 0 3 332.404 1.462 20 5 EDBDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041663389 138103535 /nfs/dbraw/zinc/10/35/35/138103535.db2.gz UHZABOONNHYYMQ-GFCCVEGCSA-N 0 3 334.376 1.524 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1 ZINC000076160510 216721406 /nfs/dbraw/zinc/72/14/06/216721406.db2.gz RJKLCGHTTBRLIT-NSHDSACASA-N 0 3 325.390 1.357 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000110355143 220032905 /nfs/dbraw/zinc/03/29/05/220032905.db2.gz PZJNUSHYKAGUQG-ZDUSSCGKSA-N 0 3 345.403 1.736 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000078760499 217114764 /nfs/dbraw/zinc/11/47/64/217114764.db2.gz ZNVHYGJCFTZXIA-GFCCVEGCSA-N 0 3 327.406 1.618 20 5 EDBDHN COC(=O)CNC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000111206117 220110429 /nfs/dbraw/zinc/11/04/29/220110429.db2.gz JITKIHKROVWIKG-UHFFFAOYSA-N 0 3 337.376 1.485 20 5 EDBDHN [NH3+]CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000111832804 220201760 /nfs/dbraw/zinc/20/17/60/220201760.db2.gz AMVASEZKVQBNMM-UHFFFAOYSA-N 0 3 333.797 1.798 20 5 EDBDHN CN1CCN(CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000248039730 139157573 /nfs/dbraw/zinc/15/75/73/139157573.db2.gz NUBFVEBDDMGGFU-UHFFFAOYSA-N 0 3 349.435 1.151 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000248927213 139180934 /nfs/dbraw/zinc/18/09/34/139180934.db2.gz XIXCUWCZWPUFLW-WCQYABFASA-N 0 3 329.360 1.568 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000248927213 139180935 /nfs/dbraw/zinc/18/09/35/139180935.db2.gz XIXCUWCZWPUFLW-WCQYABFASA-N 0 3 329.360 1.568 20 5 EDBDHN COc1ccccc1[C@@H]1CNCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000261636020 139213228 /nfs/dbraw/zinc/21/32/28/139213228.db2.gz FIAZGBPBJXPYKB-AWEZNQCLSA-N 0 3 331.376 1.446 20 5 EDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1NCCc2ccccc21 ZINC000261680072 139217016 /nfs/dbraw/zinc/21/70/16/139217016.db2.gz MOGCJTWDXZGXQY-CQSZACIVSA-N 0 3 327.344 1.388 20 5 EDBDHN Cn1ccnc1[C@@H]1CNCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000261725230 139220783 /nfs/dbraw/zinc/22/07/83/139220783.db2.gz IUYZWQVJMJHMKW-HNNXBMFYSA-N 0 3 331.376 1.354 20 5 EDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263713924 139354874 /nfs/dbraw/zinc/35/48/74/139354874.db2.gz NECOMUPBZMCXLE-HNNXBMFYSA-N 0 3 348.403 1.267 20 5 EDBDHN Cc1sc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000487334393 255029328 /nfs/dbraw/zinc/02/93/28/255029328.db2.gz FECCYKTXESHOIL-AOOOYVTPSA-N 0 3 331.419 1.147 20 5 EDBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000118118297 221123089 /nfs/dbraw/zinc/12/30/89/221123089.db2.gz NLGLJMSCGZUNIU-LBPRGKRZSA-N 0 3 336.392 1.688 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264118921 139381309 /nfs/dbraw/zinc/38/13/09/139381309.db2.gz CRPKYWCKIMYSID-UHFFFAOYSA-N 0 3 335.360 1.991 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000264183746 139385113 /nfs/dbraw/zinc/38/51/13/139385113.db2.gz ZKVGFNUXICLQOD-UHFFFAOYSA-N 0 3 341.433 1.866 20 5 EDBDHN COCCN(CCN(C)C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264227473 139388362 /nfs/dbraw/zinc/38/83/62/139388362.db2.gz XHFNWLUSHBILGK-UHFFFAOYSA-N 0 3 339.392 1.400 20 5 EDBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000264354075 139399598 /nfs/dbraw/zinc/39/95/98/139399598.db2.gz ZZOXKHPKADUKGI-UHFFFAOYSA-N 0 3 333.388 1.970 20 5 EDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCN(C)C1CC1 ZINC000186796719 533297827 /nfs/dbraw/zinc/29/78/27/533297827.db2.gz LVDFJOUIFRXOMP-GFCCVEGCSA-N 0 3 348.403 1.266 20 5 EDBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(-n2cncn2)cc1 ZINC000181868553 533406471 /nfs/dbraw/zinc/40/64/71/533406471.db2.gz ABVLIVKJMSISKB-GFCCVEGCSA-N 0 3 327.348 1.723 20 5 EDBDHN CN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000271305749 140274876 /nfs/dbraw/zinc/27/48/76/140274876.db2.gz JXQSUIBMLQDDRN-UHFFFAOYSA-N 0 3 335.389 1.766 20 5 EDBDHN C[C@]1(CO)CCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331634566 141059800 /nfs/dbraw/zinc/05/98/00/141059800.db2.gz IXCHZCJNKCDVLI-DOTOQJQBSA-N 0 3 333.388 1.625 20 5 EDBDHN COC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000342300187 142707425 /nfs/dbraw/zinc/70/74/25/142707425.db2.gz CKDCCKHTAQXPAJ-GJZGRUSLSA-N 0 3 338.339 1.269 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000345873687 143142059 /nfs/dbraw/zinc/14/20/59/143142059.db2.gz IAWUKACGZKPNGE-CHWSQXEVSA-N 0 3 337.424 1.869 20 5 EDBDHN COc1ccc(CSCC(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000346224336 143180635 /nfs/dbraw/zinc/18/06/35/143180635.db2.gz NKWATKGKCBXVMS-LLVKDONJSA-N 0 3 341.433 1.903 20 5 EDBDHN C[C@H]1[C@@H](N(C)CCO)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000347104138 143283073 /nfs/dbraw/zinc/28/30/73/143283073.db2.gz ZBMIRUWRHDXYSI-FZMZJTMJSA-N 0 3 347.371 1.868 20 5 EDBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347260732 143301278 /nfs/dbraw/zinc/30/12/78/143301278.db2.gz ZICWUAXBUOCQBB-UKRRQHHQSA-N 0 3 343.387 1.743 20 5 EDBDHN CCN1C[C@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000347708839 143352513 /nfs/dbraw/zinc/35/25/13/143352513.db2.gz SJVVZWCGXDKWJH-DZKIICNBSA-N 0 3 337.420 1.749 20 5 EDBDHN CO[C@@H]1C[C@H](CN2CCCC2)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000347908507 285844061 /nfs/dbraw/zinc/84/40/61/285844061.db2.gz WMLIGLKZSQKLGZ-ZIAGYGMSSA-N 0 3 348.403 1.383 20 5 EDBDHN COc1ccc(NC(=O)CCN2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000357568363 151070419 /nfs/dbraw/zinc/07/04/19/151070419.db2.gz KSSBFKQRBNIQAO-IAQYHMDHSA-N 0 3 337.376 1.635 20 5 EDBDHN CN1CC[C@](O)(CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000358303715 151332086 /nfs/dbraw/zinc/33/20/86/151332086.db2.gz KNHBYLWEDRTZTC-LBPRGKRZSA-N 0 3 330.182 1.836 20 5 EDBDHN COc1cnccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000358307918 151332840 /nfs/dbraw/zinc/33/28/40/151332840.db2.gz LCTVDWGSZPLLQK-UHFFFAOYSA-N 0 3 342.355 1.961 20 5 EDBDHN CN(C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000359020994 151569584 /nfs/dbraw/zinc/56/95/84/151569584.db2.gz SEXRADGSOURKFR-AWEZNQCLSA-N 0 3 343.387 1.706 20 5 EDBDHN CC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C[C@@H](C)O ZINC000361265922 152349529 /nfs/dbraw/zinc/34/95/29/152349529.db2.gz LOHGHZHZLPBNRC-CHWSQXEVSA-N 0 3 347.419 1.748 20 5 EDBDHN Cc1c(NC(=O)CCN2CCN3CCOC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363801110 153059861 /nfs/dbraw/zinc/05/98/61/153059861.db2.gz RZEYLNDAILPDBB-CQSZACIVSA-N 0 3 348.403 1.248 20 5 EDBDHN Cc1nc(C)n(C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000367141489 154021133 /nfs/dbraw/zinc/02/11/33/154021133.db2.gz PNMZYLSMCREXHJ-AWEZNQCLSA-N 0 3 346.391 1.129 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000367454839 154128941 /nfs/dbraw/zinc/12/89/41/154128941.db2.gz XMFXEDJAPCAAHD-CQSZACIVSA-N 0 3 346.431 1.835 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000373778301 157000533 /nfs/dbraw/zinc/00/05/33/157000533.db2.gz SSKZZSJIIZDBNW-CVEARBPZSA-N 0 3 335.404 1.634 20 5 EDBDHN CN1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000374314258 157238776 /nfs/dbraw/zinc/23/87/76/157238776.db2.gz CGBAUNSZYDLQMD-GJZGRUSLSA-N 0 3 329.360 1.005 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122405080 222080898 /nfs/dbraw/zinc/08/08/98/222080898.db2.gz CDGSQWILAJUCID-CQSZACIVSA-N 0 3 348.447 1.907 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000123361277 222263133 /nfs/dbraw/zinc/26/31/33/222263133.db2.gz YBGIPEQFBZBGAW-FUNVUKJBSA-N 0 3 339.417 1.773 20 5 EDBDHN COC(=O)c1cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123699919 222318851 /nfs/dbraw/zinc/31/88/51/222318851.db2.gz GSHQGFJKQMHPEE-RISCZKNCSA-N 0 3 349.387 1.936 20 5 EDBDHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCCO1 ZINC000273381142 268038445 /nfs/dbraw/zinc/03/84/45/268038445.db2.gz HJBYNJLISQLUJW-CABZTGNLSA-N 0 3 337.332 1.419 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2(N(C)C)CCC2)c1C ZINC000275494645 268351142 /nfs/dbraw/zinc/35/11/42/268351142.db2.gz QBNJTJIDKIBUDU-UHFFFAOYSA-N 0 3 341.433 1.974 20 5 EDBDHN CCN1CCN(c2cccc(Nc3ncc([N+](=O)[O-])c(N)n3)c2)CC1 ZINC000274419098 273089055 /nfs/dbraw/zinc/08/90/55/273089055.db2.gz BSRLTRVVLLXNKA-UHFFFAOYSA-N 0 3 343.391 1.853 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000043284938 272910483 /nfs/dbraw/zinc/91/04/83/272910483.db2.gz BHKCPGIQGQRQAH-OAHLLOKOSA-N 0 3 343.387 1.745 20 5 EDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176501897 272938146 /nfs/dbraw/zinc/93/81/46/272938146.db2.gz SPVFNEHZZATPSB-GFCCVEGCSA-N 0 3 336.392 1.360 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC2(CN(C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000280985785 273422581 /nfs/dbraw/zinc/42/25/81/273422581.db2.gz BUXOOGNBGSOMSH-UHFFFAOYSA-N 0 3 349.387 1.986 20 5 EDBDHN C[C@@H](CO)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000367451678 274228070 /nfs/dbraw/zinc/22/80/70/274228070.db2.gz SHMBZZRIPSRVAK-NSHDSACASA-N 0 3 347.375 1.137 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@](O)(Cn3ccnn3)C2)cc1 ZINC000284539484 274238156 /nfs/dbraw/zinc/23/81/56/274238156.db2.gz KMSMSQACAIDZAY-INIZCTEOSA-N 0 3 347.375 1.092 20 5 EDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1[N+](=O)[O-] ZINC000271774122 274250560 /nfs/dbraw/zinc/25/05/60/274250560.db2.gz RASPJGVPRLLARM-PWSUYJOCSA-N 0 3 335.320 1.411 20 5 EDBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104103084 276925646 /nfs/dbraw/zinc/92/56/46/276925646.db2.gz JCLHNKQGCHTPNT-UHFFFAOYSA-N 0 3 345.396 1.696 20 5 EDBDHN CN1CC[C@@H]2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000375042850 277146470 /nfs/dbraw/zinc/14/64/70/277146470.db2.gz SUSHAKGHMCVKHL-XYPHTWIQSA-N 0 3 344.415 1.726 20 5 EDBDHN CSCC[C@@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237515459 278130920 /nfs/dbraw/zinc/13/09/20/278130920.db2.gz HSUFRYIRTFZBJD-GFCCVEGCSA-N 0 3 338.433 1.324 20 5 EDBDHN COC(=O)c1cc(C)nc(N2C[C@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-] ZINC000287169378 288171937 /nfs/dbraw/zinc/17/19/37/288171937.db2.gz GWRGXMBVTBQFKG-VXGBXAGGSA-N 0 3 334.376 1.758 20 5 EDBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185975239 290181062 /nfs/dbraw/zinc/18/10/62/290181062.db2.gz VDKSZPNNVYDETC-IUODEOHRSA-N 0 3 339.417 1.700 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C)c2ccncc21 ZINC000176977106 301013526 /nfs/dbraw/zinc/01/35/26/301013526.db2.gz ZEJIMYLIQFGVDB-UHFFFAOYSA-N 0 3 348.384 1.943 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293910001 303037084 /nfs/dbraw/zinc/03/70/84/303037084.db2.gz NSHAGWFHRIZOQN-UAEOLWBESA-N 0 3 345.399 1.930 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000294176229 303073442 /nfs/dbraw/zinc/07/34/42/303073442.db2.gz SUVAYNZIWSSFDY-UHFFFAOYSA-N 0 3 333.348 1.370 20 5 EDBDHN NC(=O)C1(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000298031409 303489937 /nfs/dbraw/zinc/48/99/37/303489937.db2.gz BTODXFHWNGQTQB-UHFFFAOYSA-N 0 3 334.376 1.701 20 5 EDBDHN O=C1[C@H](N[C@@H](CO)[C@@H]2CCCOC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411999283 303948487 /nfs/dbraw/zinc/94/84/87/303948487.db2.gz XGWSZLCXILDLKN-WQVCFCJDSA-N 0 3 349.387 1.077 20 5 EDBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CNCCC2(F)F)n1 ZINC000423466528 304896960 /nfs/dbraw/zinc/89/69/60/304896960.db2.gz ASDXCADJWAPBLH-IJLUTSLNSA-N 0 3 329.351 1.862 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)n1 ZINC000427508660 304992905 /nfs/dbraw/zinc/99/29/05/304992905.db2.gz DKCUSXPOVNGZDR-AWEZNQCLSA-N 0 3 345.403 1.714 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439105100 305194001 /nfs/dbraw/zinc/19/40/01/305194001.db2.gz GXVFYEUPVQVLTQ-ZDUSSCGKSA-N 0 3 349.435 1.379 20 5 EDBDHN CN1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000442899579 305230805 /nfs/dbraw/zinc/23/08/05/305230805.db2.gz LGMYKSFYPGIBPN-UHFFFAOYSA-N 0 3 334.420 1.280 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)CN3CCOCC3)C2)cc1 ZINC000451550432 305352853 /nfs/dbraw/zinc/35/28/53/305352853.db2.gz RRBXEIPZEMGDOU-SJLPKXTDSA-N 0 3 349.431 1.467 20 5 EDBDHN CN1CC[C@@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000451628474 305357388 /nfs/dbraw/zinc/35/73/88/305357388.db2.gz IQDDAKNMLHRRCH-CJNGLKHVSA-N 0 3 330.388 1.120 20 5 EDBDHN Cc1c(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)cccc1[N+](=O)[O-] ZINC000451919008 305372449 /nfs/dbraw/zinc/37/24/49/305372449.db2.gz RFPKMSTYHOOZNR-INIZCTEOSA-N 0 3 346.431 1.690 20 5 EDBDHN O=C(NC[C@H]1CCCN1CCCO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452352625 305391872 /nfs/dbraw/zinc/39/18/72/305391872.db2.gz SGDDLVHZCXGXCH-CYBMUJFWSA-N 0 3 346.387 1.653 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000452353928 305392021 /nfs/dbraw/zinc/39/20/21/305392021.db2.gz VBOKVINKNPUADB-ZDUSSCGKSA-N 0 3 346.387 1.653 20 5 EDBDHN O=C(NC[C@H]1CCCN1CCCO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452367679 305393538 /nfs/dbraw/zinc/39/35/38/305393538.db2.gz PYMMCHIYJZUWET-GFCCVEGCSA-N 0 3 346.387 1.653 20 5 EDBDHN O=C(NC[C@@H]1CCCCN1CCO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452392240 305397290 /nfs/dbraw/zinc/39/72/90/305397290.db2.gz QYVOZBVLBDCFPX-ZDUSSCGKSA-N 0 3 346.387 1.653 20 5 EDBDHN CN(C)CCN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543692637 306066766 /nfs/dbraw/zinc/06/67/66/306066766.db2.gz POZBHASWSIXIIG-UHFFFAOYSA-N 0 3 341.387 1.691 20 5 EDBDHN COc1ccc(NC(=O)C(=O)N[C@H](CN)CC(C)C)cc1[N+](=O)[O-] ZINC000415423267 447422297 /nfs/dbraw/zinc/42/22/97/447422297.db2.gz FUKMZTGNBOGYBA-NSHDSACASA-N 0 3 338.364 1.032 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000415427315 447427182 /nfs/dbraw/zinc/42/71/82/447427182.db2.gz NBDYMBOTQYSTGE-SNVBAGLBSA-N 0 3 338.364 1.032 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070871468 441125028 /nfs/dbraw/zinc/12/50/28/441125028.db2.gz BDJYKBCLSKRVKV-NSHDSACASA-N 0 3 335.360 1.580 20 5 EDBDHN Cc1ccc(NCCCCN2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000080640024 441186324 /nfs/dbraw/zinc/18/63/24/441186324.db2.gz ITWRASZEURHOLE-UHFFFAOYSA-N 0 3 336.436 1.705 20 5 EDBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000104070305 441188467 /nfs/dbraw/zinc/18/84/67/441188467.db2.gz BPSDZTWJENABAR-CYBMUJFWSA-N 0 3 338.433 1.570 20 5 EDBDHN COc1ccc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000104748318 441203699 /nfs/dbraw/zinc/20/36/99/441203699.db2.gz IBRZTMNVGHTTIF-LLVKDONJSA-N 0 3 343.405 1.176 20 5 EDBDHN Cc1c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000051530934 441413986 /nfs/dbraw/zinc/41/39/86/441413986.db2.gz GAGMQBQDECPNNP-INIZCTEOSA-N 0 3 347.415 1.974 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000108406787 441452447 /nfs/dbraw/zinc/45/24/47/441452447.db2.gz DBQXUAHZZGVZJP-GFCCVEGCSA-N 0 3 327.406 1.523 20 5 EDBDHN Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000074747713 441463164 /nfs/dbraw/zinc/46/31/64/441463164.db2.gz AOYNFYDFONFELZ-UHFFFAOYSA-N 0 3 333.392 1.043 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 ZINC000090015519 441614862 /nfs/dbraw/zinc/61/48/62/441614862.db2.gz JUFFTDQUDFEMTK-XQQFMLRXSA-N 0 3 339.417 1.651 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000090552279 441633945 /nfs/dbraw/zinc/63/39/45/441633945.db2.gz YGWKOMWCPVBHNB-HIFRSBDPSA-N 0 3 347.371 1.938 20 5 EDBDHN CN(C)CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000090998168 441647700 /nfs/dbraw/zinc/64/77/00/441647700.db2.gz XHAQXNSPZLURAH-UHFFFAOYSA-N 0 3 337.767 1.768 20 5 EDBDHN C[C@@H](NCCCN1C(=O)NC(C)(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173417909 441743523 /nfs/dbraw/zinc/74/35/23/441743523.db2.gz IENQFEGWJYEFJZ-LLVKDONJSA-N 0 3 334.376 1.966 20 5 EDBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000159390337 441809932 /nfs/dbraw/zinc/80/99/32/441809932.db2.gz YNSRIUZVLBIETC-INIZCTEOSA-N 0 3 332.404 1.509 20 5 EDBDHN C[C@H]1C[C@@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000173749620 441833927 /nfs/dbraw/zinc/83/39/27/441833927.db2.gz KYTOSTMIECYVIU-KBPBESRZSA-N 0 3 334.420 1.972 20 5 EDBDHN COc1cc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000150812365 441955378 /nfs/dbraw/zinc/95/53/78/441955378.db2.gz RLQQNOLXOOUMSB-NSHDSACASA-N 0 3 343.405 1.224 20 5 EDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCO2 ZINC000174705622 441955410 /nfs/dbraw/zinc/95/54/10/441955410.db2.gz LOEDEYQHWHMOPZ-MFKMUULPSA-N 0 3 334.332 1.232 20 5 EDBDHN Cn1cc(CN[C@@H]2CCC(=O)N(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119963036 441983083 /nfs/dbraw/zinc/98/30/83/441983083.db2.gz JYOZCKOOSVRBFP-CQSZACIVSA-N 0 3 343.387 1.706 20 5 EDBDHN CCCN(CC)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000175361356 442050592 /nfs/dbraw/zinc/05/05/92/442050592.db2.gz UNXYKWJTJRGDNT-UHFFFAOYSA-N 0 3 329.422 1.746 20 5 EDBDHN COc1ccc(CSCC(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000120619985 442106225 /nfs/dbraw/zinc/10/62/25/442106225.db2.gz UWTCHFFWMHLRFQ-UHFFFAOYSA-N 0 3 327.406 1.514 20 5 EDBDHN Cc1c(CC(=O)Nc2ccn(CCN(C)C)n2)cccc1[N+](=O)[O-] ZINC000163981316 442187019 /nfs/dbraw/zinc/18/70/19/442187019.db2.gz TZUVEGBVQJNTOB-UHFFFAOYSA-N 0 3 331.376 1.843 20 5 EDBDHN COCCCN(C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000152509200 442220864 /nfs/dbraw/zinc/22/08/64/442220864.db2.gz IMJJVKSIYIJHAL-UHFFFAOYSA-N 0 3 329.784 1.946 20 5 EDBDHN COCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000177248234 442319309 /nfs/dbraw/zinc/31/93/09/442319309.db2.gz MNWTXNYWFSTYRM-DGCLKSJQSA-N 0 3 331.376 1.998 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000177163850 442308210 /nfs/dbraw/zinc/30/82/10/442308210.db2.gz BHVBONPNKVUQSV-VHSXEESVSA-N 0 3 329.360 1.826 20 5 EDBDHN O=C1[C@H](N2CCN3CCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000171759443 442378175 /nfs/dbraw/zinc/37/81/75/442378175.db2.gz WIVHVFHFPCOHCC-HZPDHXFCSA-N 0 3 330.388 1.480 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000193580326 442755798 /nfs/dbraw/zinc/75/57/98/442755798.db2.gz ZJVZLYMKXINRCZ-LBPRGKRZSA-N 0 3 340.449 1.660 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000193107887 442713827 /nfs/dbraw/zinc/71/38/27/442713827.db2.gz CSDINMWYCPZPPX-CQSZACIVSA-N 0 3 339.392 1.929 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000268167509 442880116 /nfs/dbraw/zinc/88/01/16/442880116.db2.gz DQYDQZADHVOIQB-GXTWGEPZSA-N 0 3 332.404 1.630 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC000268307747 442941033 /nfs/dbraw/zinc/94/10/33/442941033.db2.gz YLBCOQAZLKFQTD-JOYOIKCWSA-N 0 3 347.824 1.819 20 5 EDBDHN COc1cc(C(=O)NCCN2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000265929247 442973227 /nfs/dbraw/zinc/97/32/27/442973227.db2.gz FNZUOSCTGVVDAZ-UHFFFAOYSA-N 0 3 337.376 1.828 20 5 EDBDHN CCC[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N(C)C ZINC000297100860 318750577 /nfs/dbraw/zinc/75/05/77/318750577.db2.gz ZDQHITLHHBUDOY-AWEZNQCLSA-N 0 3 335.408 1.369 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000261798563 443170159 /nfs/dbraw/zinc/17/01/59/443170159.db2.gz UQYCKEYXDFAATC-STQMWFEESA-N 0 3 341.433 1.878 20 5 EDBDHN CCN1CCC(NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000411244882 319173680 /nfs/dbraw/zinc/17/36/80/319173680.db2.gz VNGNQPHCMSKGQD-UHFFFAOYSA-N 0 3 339.367 1.886 20 5 EDBDHN COC(=O)[C@@H]1CN(C)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000413511737 319272832 /nfs/dbraw/zinc/27/28/32/319272832.db2.gz ZYRQGJDWLXPWKH-SNVBAGLBSA-N 0 3 333.348 1.012 20 5 EDBDHN CC[C@H]1Cc2ccccc2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185798912 443258857 /nfs/dbraw/zinc/25/88/57/443258857.db2.gz OTJGKQDJRLPVFE-RDJZCZTQSA-N 0 3 330.388 1.989 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC(C)(C)CN(C)C ZINC000416510952 319436573 /nfs/dbraw/zinc/43/65/73/319436573.db2.gz WDHWCLHCUCLFMY-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN COC(=O)[C@@H]1CC12CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000269686169 443395769 /nfs/dbraw/zinc/39/57/69/443395769.db2.gz ZVCDRSYFXGWPSR-GJZGRUSLSA-N 0 3 334.372 1.903 20 5 EDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000267529443 443486312 /nfs/dbraw/zinc/48/63/12/443486312.db2.gz PPURLPIPMPIMPY-AWEZNQCLSA-N 0 3 343.387 1.947 20 5 EDBDHN O=C(CN[C@@H]1CCC[C@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279337714 443558266 /nfs/dbraw/zinc/55/82/66/443558266.db2.gz ULZHMGMMMCMTOI-SWLSCSKDSA-N 0 3 333.388 1.625 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000265407971 443631460 /nfs/dbraw/zinc/63/14/60/443631460.db2.gz ZKEJJDIATMUJCA-OAHLLOKOSA-N 0 3 346.387 1.339 20 5 EDBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]12 ZINC000449518518 320193836 /nfs/dbraw/zinc/19/38/36/320193836.db2.gz APGMRKGOHPZGDC-OKILXGFUSA-N 0 3 341.323 1.559 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491564312 320372209 /nfs/dbraw/zinc/37/22/09/320372209.db2.gz WUBBXRVOPUAENI-YXMGTMDOSA-N 0 3 333.388 1.835 20 5 EDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)cc1 ZINC000276783674 443824855 /nfs/dbraw/zinc/82/48/55/443824855.db2.gz XDSGSICJSPYEMR-JKSUJKDBSA-N 0 3 331.376 1.952 20 5 EDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000531888583 320667758 /nfs/dbraw/zinc/66/77/58/320667758.db2.gz ABOXFDHBGFRRLH-OAHLLOKOSA-N 0 3 347.419 1.230 20 5 EDBDHN CCCN(CC)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299389463 444034095 /nfs/dbraw/zinc/03/40/95/444034095.db2.gz TZKZWPWMVJSAMP-UHFFFAOYSA-N 0 3 336.392 1.690 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN(C)Cc1ccccc1 ZINC000299547903 444076054 /nfs/dbraw/zinc/07/60/54/444076054.db2.gz VNDHHBHGUAKHJV-UHFFFAOYSA-N 0 3 345.403 1.738 20 5 EDBDHN CN1CC[C@H]2OCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285734448 444090561 /nfs/dbraw/zinc/09/05/61/444090561.db2.gz KQCWLYMRHCYDDR-HZPDHXFCSA-N 0 3 348.403 1.328 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(CCN(C)C)CC1 ZINC000301090205 444143862 /nfs/dbraw/zinc/14/38/62/444143862.db2.gz HXPDZANITNUNLS-UHFFFAOYSA-N 0 3 349.435 1.392 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299708709 444121832 /nfs/dbraw/zinc/12/18/32/444121832.db2.gz PYRXPUSWYRZCBZ-JSGCOSHPSA-N 0 3 348.403 1.783 20 5 EDBDHN COc1ccc(S(=O)(=O)N[C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000289620652 444182085 /nfs/dbraw/zinc/18/20/85/444182085.db2.gz RLCWEHMLNUSCNO-LLVKDONJSA-N 0 3 345.421 1.610 20 5 EDBDHN Cc1ccc(NC(=O)N[C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000296393325 444226026 /nfs/dbraw/zinc/22/60/26/444226026.db2.gz SZVLEDGGTFNCSP-AWEZNQCLSA-N 0 3 336.392 1.872 20 5 EDBDHN N[C@@H](CC(F)F)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000323983733 444348583 /nfs/dbraw/zinc/34/85/83/444348583.db2.gz YWTGCOKGHAUIOS-LBPRGKRZSA-N 0 3 328.319 1.226 20 5 EDBDHN CNC(=O)c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000325524019 444367181 /nfs/dbraw/zinc/36/71/81/444367181.db2.gz DMLRLKNGXSFGSN-CHWSQXEVSA-N 0 3 334.376 1.230 20 5 EDBDHN Cc1cnc(CCNC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000578499578 321784259 /nfs/dbraw/zinc/78/42/59/321784259.db2.gz RPWDPBONPPCNCR-AWEZNQCLSA-N 0 3 332.360 1.265 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000331132656 444409942 /nfs/dbraw/zinc/40/99/42/444409942.db2.gz PFYMWOYBGHCXCK-NSHDSACASA-N 0 3 343.330 1.205 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000580329562 322038426 /nfs/dbraw/zinc/03/84/26/322038426.db2.gz DLBFFYZGUAZQFV-AWEZNQCLSA-N 0 3 329.360 1.184 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc(C3CC3)ccc2F)c1 ZINC000581247091 322153927 /nfs/dbraw/zinc/15/39/27/322153927.db2.gz PHVVSRVKCKIOJJ-OAHLLOKOSA-N 0 3 334.351 1.959 20 5 EDBDHN CC1CCN(C[C@@H](O)CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342206840 444564138 /nfs/dbraw/zinc/56/41/38/444564138.db2.gz OTFAPKACPBMCKR-LBPRGKRZSA-N 0 3 336.392 1.198 20 5 EDBDHN COC(=O)CN(C)C(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342317588 444626489 /nfs/dbraw/zinc/62/64/89/444626489.db2.gz DFACOAWTODBXGX-LBPRGKRZSA-N 0 3 337.376 1.575 20 5 EDBDHN C[C@@H](NC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000342279042 444609788 /nfs/dbraw/zinc/60/97/88/444609788.db2.gz IXYGMBZPJIKUTB-KBUPBQIOSA-N 0 3 337.420 1.716 20 5 EDBDHN Cn1cc([C@H](NCCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)cn1 ZINC000342329986 444634448 /nfs/dbraw/zinc/63/44/48/444634448.db2.gz WLZQDRFZFHQNJG-HNNXBMFYSA-N 0 3 333.392 1.867 20 5 EDBDHN Cc1sc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000342518772 444728263 /nfs/dbraw/zinc/72/82/63/444728263.db2.gz WGNGTNYSYFFZRU-LDYMZIIASA-N 0 3 333.435 1.535 20 5 EDBDHN CCCN(CCN1CCN(CC)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342567258 444747626 /nfs/dbraw/zinc/74/76/26/444747626.db2.gz MVHPLTJXOCICQH-UHFFFAOYSA-N 0 3 337.424 1.413 20 5 EDBDHN CC1(C)NC(=O)CC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000338595642 444764642 /nfs/dbraw/zinc/76/46/42/444764642.db2.gz ACYKOXPYBUWXLN-UONOGXRCSA-N 0 3 346.387 1.347 20 5 EDBDHN CCC1CC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000342738594 444842349 /nfs/dbraw/zinc/84/23/49/444842349.db2.gz SEQYOTFSUGUARB-UHFFFAOYSA-N 0 3 327.406 1.651 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000344298737 444886782 /nfs/dbraw/zinc/88/67/82/444886782.db2.gz RVPABEMFELJRKW-DOMZBBRYSA-N 0 3 335.408 1.789 20 5 EDBDHN C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN(C2CCC2)C1 ZINC000344718767 445135816 /nfs/dbraw/zinc/13/58/16/445135816.db2.gz UVPGWSGTCGDBSW-ZDUSSCGKSA-N 0 3 349.435 1.859 20 5 EDBDHN COCCN1CCC[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347443801 445238280 /nfs/dbraw/zinc/23/82/80/445238280.db2.gz ZCUSYZVQJMSLHS-LBPRGKRZSA-N 0 3 331.376 2.061 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343624863 445267973 /nfs/dbraw/zinc/26/79/73/445267973.db2.gz MTVAEBUATOWVFS-FZMZJTMJSA-N 0 3 336.392 1.885 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2ncc[nH]2)CC1 ZINC000343608292 445261733 /nfs/dbraw/zinc/26/17/33/445261733.db2.gz KIFZLTUXQGAQIA-CQSZACIVSA-N 0 3 346.387 1.937 20 5 EDBDHN Cc1nn(CCC(=O)NCCN2CC=C(C)CC2)c(C)c1[N+](=O)[O-] ZINC000348350865 445263987 /nfs/dbraw/zinc/26/39/87/445263987.db2.gz PMOOZBNXWTZUBQ-UHFFFAOYSA-N 0 3 335.408 1.566 20 5 EDBDHN O=[N+]([O-])c1cnc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)nc1 ZINC000354570790 445298664 /nfs/dbraw/zinc/29/86/64/445298664.db2.gz HIVAJXORXJMYQA-INIZCTEOSA-N 0 3 329.360 1.434 20 5 EDBDHN C[C@H](C(=O)NCC1(O)CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000349192176 445530739 /nfs/dbraw/zinc/53/07/39/445530739.db2.gz ATRDCCZLWIJUSH-NSHDSACASA-N 0 3 339.367 1.410 20 5 EDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000362812078 445560941 /nfs/dbraw/zinc/56/09/41/445560941.db2.gz AEKVNSXQNYOAQX-HZPDHXFCSA-N 0 3 333.388 1.507 20 5 EDBDHN NC(=O)c1ccc(CN2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000362776230 445545146 /nfs/dbraw/zinc/54/51/46/445545146.db2.gz UDHKQOTVVYCPPW-AWEZNQCLSA-N 0 3 333.388 1.942 20 5 EDBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000349782735 445676894 /nfs/dbraw/zinc/67/68/94/445676894.db2.gz ZYQPAEQXZHSIBP-ZDUSSCGKSA-N 0 3 343.449 1.785 20 5 EDBDHN CCCCCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350703323 445883495 /nfs/dbraw/zinc/88/34/95/445883495.db2.gz UJWIVWMAMOWIAF-UHFFFAOYSA-N 0 3 337.424 1.810 20 5 EDBDHN COc1cc(N2CCCN(CCN(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000366096504 446010505 /nfs/dbraw/zinc/01/05/05/446010505.db2.gz VQEQTTKWWPSDGF-UHFFFAOYSA-N 0 3 340.399 1.816 20 5 EDBDHN Cn1cc(CN[C@H]2CCC(=O)NC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356880737 446092109 /nfs/dbraw/zinc/09/21/09/446092109.db2.gz RPTFTTMTWHZZFV-ZDUSSCGKSA-N 0 3 329.360 1.364 20 5 EDBDHN CN1CCC[C@]2(CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1=O ZINC000370402804 446263617 /nfs/dbraw/zinc/26/36/17/446263617.db2.gz BTIHAJUFPHEMMT-QGZVFWFLSA-N 0 3 346.387 1.138 20 5 EDBDHN Cc1cc(NC[C@H]2CNCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420292355 446456641 /nfs/dbraw/zinc/45/66/41/446456641.db2.gz YSOGWWGPTNEZGN-CQSZACIVSA-N 0 3 329.360 1.182 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420476360 446649370 /nfs/dbraw/zinc/64/93/70/446649370.db2.gz YAKXQVLRCCRCLJ-NEPJUHHUSA-N 0 3 327.406 1.699 20 5 EDBDHN CN1CC[C@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000375239612 446663003 /nfs/dbraw/zinc/66/30/03/446663003.db2.gz NOOJYIXNMADGEL-YOEHRIQHSA-N 0 3 344.415 1.510 20 5 EDBDHN C[NH+](C)C1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000420740431 446783961 /nfs/dbraw/zinc/78/39/61/446783961.db2.gz GNOQKUHBZWUYRN-UHFFFAOYSA-N 0 3 345.396 1.885 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CCN(C)[C@H](C)C2)c1F ZINC000412142553 446878065 /nfs/dbraw/zinc/87/80/65/446878065.db2.gz YBQLGVJEDIJWJK-MNOVXSKESA-N 0 3 339.367 1.884 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@@H]21 ZINC000371533677 446918286 /nfs/dbraw/zinc/91/82/86/446918286.db2.gz IVUKELBLPGBBJY-RNCFNFMXSA-N 0 3 347.400 1.766 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377173169 446969923 /nfs/dbraw/zinc/96/99/23/446969923.db2.gz CRKMUVHYJYFABD-ZIAGYGMSSA-N 0 3 334.376 1.888 20 5 EDBDHN Cc1nc(NC[C@]2(O)CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450351277 447463867 /nfs/dbraw/zinc/46/38/67/447463867.db2.gz SDMOWNCMQOUJJU-QGZVFWFLSA-N 0 3 343.387 1.742 20 5 EDBDHN O=[N+]([O-])c1cc2ccccc2nc1N[C@H](CO)CN1CCCCC1 ZINC000450519710 447514726 /nfs/dbraw/zinc/51/47/26/447514726.db2.gz NDKVXAGINJOQSV-AWEZNQCLSA-N 0 3 330.388 2.402 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000525805637 448030237 /nfs/dbraw/zinc/03/02/37/448030237.db2.gz XVIOZMLEJRLGJL-LBPRGKRZSA-N 0 3 344.375 1.247 20 5 EDBDHN Cc1c([N+](=O)[O-])ccc(=O)n1C[C@H](O)CN(C)Cc1ccccc1 ZINC000591241501 448296554 /nfs/dbraw/zinc/29/65/54/448296554.db2.gz MDACLAWMDSSBGW-OAHLLOKOSA-N 0 3 331.372 1.558 20 5 EDBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000572339119 448348822 /nfs/dbraw/zinc/34/88/22/448348822.db2.gz SMQUKPIZANYMPR-NSHDSACASA-N 0 3 335.360 1.878 20 5 EDBDHN CCN1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000572548657 448407026 /nfs/dbraw/zinc/40/70/26/448407026.db2.gz GEROMSPHQIXYTG-UHFFFAOYSA-N 0 3 327.406 1.605 20 5 EDBDHN Cn1cc([C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC2(C)C)cn1 ZINC000572614180 448423524 /nfs/dbraw/zinc/42/35/24/448423524.db2.gz YWMLNWRBPXVTLT-HNNXBMFYSA-N 0 3 345.403 1.616 20 5 EDBDHN Cc1cnc(CCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC000591758071 448483953 /nfs/dbraw/zinc/48/39/53/448483953.db2.gz UWIKQXYWPKYMIB-CQSZACIVSA-N 0 3 332.360 1.265 20 5 EDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000573327029 448600394 /nfs/dbraw/zinc/60/03/94/448600394.db2.gz YXMVCXIDGBJOEJ-LBPRGKRZSA-N 0 3 337.424 1.715 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(OC(F)F)c2)c1 ZINC000568751026 448914853 /nfs/dbraw/zinc/91/48/53/448914853.db2.gz UQQZUJNUYOCMFM-GFCCVEGCSA-N 0 3 342.302 1.543 20 5 EDBDHN COCCCN1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589114220 448971552 /nfs/dbraw/zinc/97/15/52/448971552.db2.gz QYWGQNCNDVEAIJ-UHFFFAOYSA-N 0 3 328.800 1.978 20 5 EDBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860047 448942198 /nfs/dbraw/zinc/94/21/98/448942198.db2.gz BPDZMFIGDIABHJ-QWHCGFSZSA-N 0 3 344.371 1.357 20 5 EDBDHN COCCN1CCCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000582191981 449036137 /nfs/dbraw/zinc/03/61/37/449036137.db2.gz SPAJSTOQOFGZEC-UHFFFAOYSA-N 0 3 338.408 1.936 20 5 EDBDHN Cc1sc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592880146 449034023 /nfs/dbraw/zinc/03/40/23/449034023.db2.gz ODQMIQYYBFUOAP-SECBINFHSA-N 0 3 340.405 1.157 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccccn2)cc1 ZINC000521501279 448990949 /nfs/dbraw/zinc/99/09/49/448990949.db2.gz FHRRIWPHJMSHBH-UHFFFAOYSA-N 0 3 335.385 1.596 20 5 EDBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H]1CCN(C)C1 ZINC000597946944 449155344 /nfs/dbraw/zinc/15/53/44/449155344.db2.gz SVBDOXMFLCHNNB-CQSZACIVSA-N 0 3 343.387 1.947 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)CCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000593721458 449159204 /nfs/dbraw/zinc/15/92/04/449159204.db2.gz FKJZSFLTGBKQNI-UHFFFAOYSA-N 0 3 348.403 1.786 20 5 EDBDHN CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599985576 449138366 /nfs/dbraw/zinc/13/83/66/449138366.db2.gz GNYNVOUIAQMVOO-UHFFFAOYSA-N 0 3 334.420 1.974 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@](O)(C2CC2)C1 ZINC000595753578 449147980 /nfs/dbraw/zinc/14/79/80/449147980.db2.gz ZCPDOGWHWFBFDM-WMLDXEAASA-N 0 3 336.388 1.571 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000590588714 449204172 /nfs/dbraw/zinc/20/41/72/449204172.db2.gz JCXCVQRJFFGHQL-WCQYABFASA-N 0 3 327.406 1.616 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590589849 449204477 /nfs/dbraw/zinc/20/44/77/449204477.db2.gz RDHIADBRLFLUMQ-QWHCGFSZSA-N 0 3 341.433 1.925 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590602844 449216893 /nfs/dbraw/zinc/21/68/93/449216893.db2.gz YYGHKESAMOYROR-UKRRQHHQSA-N 0 3 331.376 1.427 20 5 EDBDHN Cn1cc(CN2C[C@@H](CO)[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600189352 449234521 /nfs/dbraw/zinc/23/45/21/449234521.db2.gz FKPCRNKVIVSQHE-GJZGRUSLSA-N 0 3 346.387 1.028 20 5 EDBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CCCN3CCCO)c2c1 ZINC000590707674 449255145 /nfs/dbraw/zinc/25/51/45/449255145.db2.gz SMHGWFTYDUFWEC-ZDUSSCGKSA-N 0 3 331.376 1.797 20 5 EDBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594026620 449329562 /nfs/dbraw/zinc/32/95/62/449329562.db2.gz FSUACMUCKJHGIF-JKSUJKDBSA-N 0 3 335.404 1.633 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H](O)CN1CCCCC1 ZINC000593537230 449332005 /nfs/dbraw/zinc/33/20/05/449332005.db2.gz GCJBFXSORLYFTQ-CQSZACIVSA-N 0 3 339.367 1.239 20 5 EDBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000596051388 449336956 /nfs/dbraw/zinc/33/69/56/449336956.db2.gz NMQCQCMHBYYIJL-MRVPVSSYSA-N 0 3 345.274 1.244 20 5 EDBDHN CC[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H](C)N1 ZINC000598531304 449448634 /nfs/dbraw/zinc/44/86/34/449448634.db2.gz IPQLQJQBQHSZGH-QWHCGFSZSA-N 0 3 343.387 1.993 20 5 EDBDHN CC(C)(C(=O)N1CCCN(CC2CCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000594357032 449465511 /nfs/dbraw/zinc/46/55/11/449465511.db2.gz WTCBGGUYBDSDEW-UHFFFAOYSA-N 0 3 349.435 1.861 20 5 EDBDHN C[C@H](C(=O)NC[C@@]1(O)CN2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000594357702 449465557 /nfs/dbraw/zinc/46/55/57/449465557.db2.gz LOLJEUAWQRDNEW-YVEFUNNKSA-N 0 3 333.388 1.271 20 5 EDBDHN C[C@H]1C[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN1C ZINC000598599430 449484313 /nfs/dbraw/zinc/48/43/13/449484313.db2.gz OBWNYFSRTNKGQQ-NWDGAFQWSA-N 0 3 336.396 1.116 20 5 EDBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596470715 449519214 /nfs/dbraw/zinc/51/92/14/449519214.db2.gz XLLQZYNQVKNEGX-UHFFFAOYSA-N 0 3 343.387 1.960 20 5 EDBDHN COCCN1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000594549532 449572166 /nfs/dbraw/zinc/57/21/66/449572166.db2.gz CHDTZYDMRJDUCC-ZDUSSCGKSA-N 0 3 338.408 2.300 20 5 EDBDHN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCCNCC1 ZINC000602424360 449576335 /nfs/dbraw/zinc/57/63/35/449576335.db2.gz KLSSHYHHRAQFBI-UHFFFAOYSA-N 0 3 333.323 1.355 20 5 EDBDHN COC(=O)c1cnc(N2CCc3nccc(N)c3C2)c([N+](=O)[O-])c1 ZINC000598944143 449663057 /nfs/dbraw/zinc/66/30/57/449663057.db2.gz XQBNOAPODCRYRE-UHFFFAOYSA-N 0 3 329.316 1.316 20 5 EDBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915440 449645821 /nfs/dbraw/zinc/64/58/21/449645821.db2.gz LYWRLKDRIJWISH-QPUJVOFHSA-N 0 3 326.328 1.968 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN([C@H]4CCC[C@@H]4O)CC3)c21 ZINC000612444754 449709114 /nfs/dbraw/zinc/70/91/14/449709114.db2.gz MRGDUSINTSHHOU-ZFWWWQNUSA-N 0 3 343.387 1.573 20 5 EDBDHN C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599101801 449733132 /nfs/dbraw/zinc/73/31/32/449733132.db2.gz BXISBFGRHFLUSB-WPRPVWTQSA-N 0 3 333.797 1.667 20 5 EDBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)nc1-c1ccc(F)cc1 ZINC000599198973 449792365 /nfs/dbraw/zinc/79/23/65/449792365.db2.gz DEBYICPINOCZLZ-AWEZNQCLSA-N 0 3 346.362 2.274 20 5 EDBDHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000602891852 449898934 /nfs/dbraw/zinc/89/89/34/449898934.db2.gz JVDCTBCZMPJJFA-NSHDSACASA-N 0 3 335.330 1.750 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](n3ccnc3)C2)c1 ZINC000609257773 449984896 /nfs/dbraw/zinc/98/48/96/449984896.db2.gz DQTRZZDRZJWLCE-JKSUJKDBSA-N 0 3 346.387 1.868 20 5 EDBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609530852 450042983 /nfs/dbraw/zinc/04/29/83/450042983.db2.gz IVLIIZQZSQRENH-LBPRGKRZSA-N 0 3 349.387 1.970 20 5 EDBDHN COC(=O)CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000610211564 450153410 /nfs/dbraw/zinc/15/34/10/450153410.db2.gz FAHOCMXBAVVHEE-UHFFFAOYSA-N 0 3 332.360 1.857 20 5 EDBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000597716265 450217253 /nfs/dbraw/zinc/21/72/53/450217253.db2.gz QIGJJKAZYDGYLN-QGZVFWFLSA-N 0 3 347.371 1.881 20 5 EDBDHN CCOc1ccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610335643 450195256 /nfs/dbraw/zinc/19/52/56/450195256.db2.gz HYRVHMGAZZQYFZ-WFASDCNBSA-N 0 3 334.376 1.902 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CN1C1CC1 ZINC000610653945 450285929 /nfs/dbraw/zinc/28/59/29/450285929.db2.gz PPUWJGYMHYUNAE-MNOVXSKESA-N 0 3 347.371 1.721 20 5 EDBDHN CCc1ccc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)cc1[N+](=O)[O-] ZINC000618924295 450342534 /nfs/dbraw/zinc/34/25/34/450342534.db2.gz WKMIGOLWCYKDKV-QGZVFWFLSA-N 0 3 335.404 1.686 20 5 EDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000610896764 450371612 /nfs/dbraw/zinc/37/16/12/450371612.db2.gz AKFJPVBWBGSNSA-AAEUAGOBSA-N 0 3 347.371 1.880 20 5 EDBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000346730089 536480976 /nfs/dbraw/zinc/48/09/76/536480976.db2.gz OMYCGZLLVULXGK-ZDUSSCGKSA-N 0 3 347.293 1.410 20 5 EDBDHN CC1(O)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000331992101 535196607 /nfs/dbraw/zinc/19/66/07/535196607.db2.gz DZVSTWOEJYSPCE-UHFFFAOYSA-N 0 3 335.360 1.740 20 5 EDBDHN CCN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345525614 535692161 /nfs/dbraw/zinc/69/21/61/535692161.db2.gz SHIMKNDEBOQHAF-UHFFFAOYSA-N 0 3 337.424 1.081 20 5 EDBDHN Cc1ccccc1[C@H](O)CN[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000741775621 579427513 /nfs/dbraw/zinc/42/75/13/579427513.db2.gz LSPUEMPXJXNQIL-KSZLIROESA-N 0 3 346.383 1.621 20 5 EDBDHN COCCN(CCN(C)C)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000729644021 578586084 /nfs/dbraw/zinc/58/60/84/578586084.db2.gz FWDXYHCCOSZDAA-UHFFFAOYSA-N 0 3 326.422 1.802 20 5 EDBDHN CC(C)[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000730090020 578613354 /nfs/dbraw/zinc/61/33/54/578613354.db2.gz VHFYVQUPBLVACT-MRXNPFEDSA-N 0 3 334.420 1.830 20 5 EDBDHN Cc1nn(CN2CCN([C@@H]3CCCN(C)C3)CC2)c(C)c1[N+](=O)[O-] ZINC000738209244 579172520 /nfs/dbraw/zinc/17/25/20/579172520.db2.gz OSJBBWBEEOHVTK-OAHLLOKOSA-N 0 3 336.440 1.077 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(NC3CCN(C[C@H]4CCCO4)CC3)nn21 ZINC000767201377 580183688 /nfs/dbraw/zinc/18/36/88/580183688.db2.gz CQIAZVHEDCZHNA-CYBMUJFWSA-N 0 3 346.391 1.693 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCOCCS(C)(=O)=O ZINC000786811510 580679908 /nfs/dbraw/zinc/67/99/08/580679908.db2.gz DOKAHFFWVWXWOA-JLHYYAGUSA-N 0 3 342.417 1.649 20 5 EDBDHN COc1cc(OCC(=O)N[C@@]2(C)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892784613 591175584 /nfs/dbraw/zinc/17/55/84/591175584.db2.gz JNLQEXLLDPUYQM-KRWDZBQOSA-N 0 3 349.387 1.583 20 5 EDBDHN COC(=O)[C@@H]1[C@H](CNCCOc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894229313 591237849 /nfs/dbraw/zinc/23/78/49/591237849.db2.gz OCPUFMJNCUXDMX-RYUDHWBXSA-N 0 3 330.287 1.618 20 5 EDBDHN Cc1ccc(CNC(=O)C2CN(C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000899180414 591721217 /nfs/dbraw/zinc/72/12/17/591721217.db2.gz VUDJCLGIAGDEHO-UHFFFAOYSA-N 0 3 333.388 1.630 20 5 EDBDHN O=[N+]([O-])c1cc2c(nc1N1CC[C@@H]3[C@@H]1CCCN3CCO)CCCC2 ZINC000897219706 591774371 /nfs/dbraw/zinc/77/43/71/591774371.db2.gz NBZULNGXWPUCMN-CVEARBPZSA-N 0 3 346.431 1.904 20 5 EDBDHN CN(CCO)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000899738890 591927413 /nfs/dbraw/zinc/92/74/13/591927413.db2.gz PVNIWQKKFKIKOD-UHFFFAOYSA-N 0 3 335.282 1.268 20 5 EDBDHN O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C12CCN(CC1)C2 ZINC000899941380 591990284 /nfs/dbraw/zinc/99/02/84/591990284.db2.gz GYEXUOGUCFUKRQ-UHFFFAOYSA-N 0 3 330.388 1.339 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCNCCC12CCOCC2 ZINC000900480471 592030213 /nfs/dbraw/zinc/03/02/13/592030213.db2.gz QQZIMVITSCHQTO-UHFFFAOYSA-N 0 3 334.376 1.971 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N(C)C)[C@@H]1C ZINC000902709150 592048574 /nfs/dbraw/zinc/04/85/74/592048574.db2.gz VCOIFYLVXGGQER-FZMZJTMJSA-N 0 3 334.376 1.393 20 5 EDBDHN CCN1C[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906955765 592434814 /nfs/dbraw/zinc/43/48/14/592434814.db2.gz IYBPSUAFVVAWQT-YPMHNXCESA-N 0 3 349.387 1.826 20 5 EDBDHN COc1cc(CCNC[C@](C)(O)C(F)F)c([N+](=O)[O-])cc1OC ZINC000905890993 592669473 /nfs/dbraw/zinc/66/94/73/592669473.db2.gz DROLOWPPTVWYRW-AWEZNQCLSA-N 0 3 334.319 1.760 20 5 EDBDHN O=C1NC(=O)C2(CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)N1 ZINC000761533625 593417628 /nfs/dbraw/zinc/41/76/28/593417628.db2.gz WYESVHLPDGOTLU-UHFFFAOYSA-N 0 3 338.751 1.422 20 5 EDBDHN C[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CN1C1CC1 ZINC000811811696 593483400 /nfs/dbraw/zinc/48/34/00/593483400.db2.gz DEJMIVYBHGSPCO-ZJUUUORDSA-N 0 3 332.360 1.963 20 5 EDBDHN CC(COC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[N+](=O)[O-] ZINC000813100541 593517502 /nfs/dbraw/zinc/51/75/02/593517502.db2.gz UDAPVKDMIFCNHD-SNVBAGLBSA-N 0 3 342.373 1.221 20 5 EDBDHN CC(C)Cn1nc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc2c1=O ZINC000813114635 593518727 /nfs/dbraw/zinc/51/87/27/593518727.db2.gz VBIVWNWWZHAKHX-LLVKDONJSA-N 0 3 333.344 1.875 20 5 EDBDHN CN1CCC(ONC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000816533079 593530209 /nfs/dbraw/zinc/53/02/09/593530209.db2.gz IGLHLQLLTWVMHW-UHFFFAOYSA-N 0 3 345.359 1.536 20 5 EDBDHN CCS(=O)(=O)CCNCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000819093828 593738436 /nfs/dbraw/zinc/73/84/36/593738436.db2.gz ZDASBQTWERBQBM-UHFFFAOYSA-N 0 3 329.422 1.730 20 5 EDBDHN COCCO[C@@H]1COCC[C@@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819245702 593746422 /nfs/dbraw/zinc/74/64/22/593746422.db2.gz YWWLAMQRCWRWIT-ARFHVFGLSA-N 0 3 340.376 1.038 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000819332359 593750897 /nfs/dbraw/zinc/75/08/97/593750897.db2.gz BTBHCRJNFABDEU-YLFCFFPRSA-N 0 3 346.387 1.833 20 5 EDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000820732269 593874791 /nfs/dbraw/zinc/87/47/91/593874791.db2.gz ZMFSSAODJLEADD-ONGXEEELSA-N 0 3 347.824 1.961 20 5 EDBDHN C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821624968 593886409 /nfs/dbraw/zinc/88/64/09/593886409.db2.gz BLWNUXMRVXPZKM-MFKMUULPSA-N 0 3 344.379 1.090 20 5 EDBDHN C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821624968 593886410 /nfs/dbraw/zinc/88/64/10/593886410.db2.gz BLWNUXMRVXPZKM-MFKMUULPSA-N 0 3 344.379 1.090 20 5 EDBDHN C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821624968 593886412 /nfs/dbraw/zinc/88/64/12/593886412.db2.gz BLWNUXMRVXPZKM-MFKMUULPSA-N 0 3 344.379 1.090 20 5 EDBDHN C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821624968 593886414 /nfs/dbraw/zinc/88/64/14/593886414.db2.gz BLWNUXMRVXPZKM-MFKMUULPSA-N 0 3 344.379 1.090 20 5 EDBDHN CN(CCO)CCN(C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000825528137 594197717 /nfs/dbraw/zinc/19/77/17/594197717.db2.gz XFCFFKHNTSXZSX-UHFFFAOYSA-N 0 3 327.356 1.049 20 5 EDBDHN COC(=O)Cc1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000827543113 594229177 /nfs/dbraw/zinc/22/91/77/594229177.db2.gz QVBOCNVSXUHAHA-AWEZNQCLSA-N 0 3 333.388 1.985 20 5 EDBDHN O=[N+]([O-])c1ccn(CC[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000826500786 594503244 /nfs/dbraw/zinc/50/32/44/594503244.db2.gz MBXIOMJUPWMVDR-UHFFFAOYSA-N 0 3 340.347 1.250 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000826829782 594584543 /nfs/dbraw/zinc/58/45/43/594584543.db2.gz KIHLGJHWLBCAGL-DZGCQCFKSA-N 0 3 339.417 1.182 20 5 EDBDHN CCOc1ccc(C(=O)NC[C@H](CN(C)C)OCC)cc1[N+](=O)[O-] ZINC000831771148 594701436 /nfs/dbraw/zinc/70/14/36/594701436.db2.gz JDBRNJSFXPZYKK-CYBMUJFWSA-N 0 3 339.392 1.690 20 5 EDBDHN CCO[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])CN(C)C ZINC000831772276 594701823 /nfs/dbraw/zinc/70/18/23/594701823.db2.gz ZDYGCLTXTHBOCL-LLVKDONJSA-N 0 3 329.784 1.945 20 5 EDBDHN CC([C@H](OC(=O)[C@H]1CCN(C)C(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875570 595085861 /nfs/dbraw/zinc/08/58/61/595085861.db2.gz NOXKNMSNHQDNIQ-ZETOZRRWSA-N 0 3 338.335 1.944 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC3(CC([NH3+])C3)C2)cc1C ZINC000842795740 595202255 /nfs/dbraw/zinc/20/22/55/595202255.db2.gz VBKOEQBXHQOATL-UHFFFAOYSA-N 0 3 339.417 1.760 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H](O)Cc2cccc(F)c2)cc1 ZINC000843103108 595287795 /nfs/dbraw/zinc/28/77/95/595287795.db2.gz YZQCCXNOCWOIQN-SJORKVTESA-N 0 3 334.347 1.961 20 5 EDBDHN C[C@@H]1COCCN1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846911012 595336543 /nfs/dbraw/zinc/33/65/43/595336543.db2.gz GIIVYGBUEJADFP-RDTXWAMCSA-N 0 3 349.431 1.813 20 5 EDBDHN CN(C)[C@@H]1CCCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848478094 595389359 /nfs/dbraw/zinc/38/93/59/595389359.db2.gz BNQSONNTYHOSHG-SJORKVTESA-N 0 3 346.431 1.894 20 5 EDBDHN O=C([N-]C[C@@H]1CCC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764401 595600163 /nfs/dbraw/zinc/60/01/63/595600163.db2.gz QTSHTGCTYANSDL-SNVBAGLBSA-N 0 3 329.303 1.682 20 5 EDBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000860828699 595810095 /nfs/dbraw/zinc/81/00/95/595810095.db2.gz KSYQRJRIRONAHF-KRWDZBQOSA-N 0 3 329.356 1.544 20 5 EDBDHN CN1CCN(CC2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000858610307 595842331 /nfs/dbraw/zinc/84/23/31/595842331.db2.gz ATQYHYWONJNARX-UHFFFAOYSA-N 0 3 335.364 1.187 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000859585801 596139637 /nfs/dbraw/zinc/13/96/37/596139637.db2.gz CTUKAYKTXFSCIR-IAGOWNOFSA-N 0 3 346.387 1.136 20 5 EDBDHN Cc1ccc([C@H](C)NC[C@]23COC(=O)N2CCOC3)cc1[N+](=O)[O-] ZINC000866519930 596238794 /nfs/dbraw/zinc/23/87/94/596238794.db2.gz YHWKGOAQJLIJLW-LRDDRELGSA-N 0 3 335.360 1.775 20 5 EDBDHN C[C@](N)(C(=O)N1CC[C@@H](N2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870884535 596388976 /nfs/dbraw/zinc/38/89/76/596388976.db2.gz ZPURIPAFYAVGPD-SJLPKXTDSA-N 0 3 346.431 1.856 20 5 EDBDHN Cc1cc(C(F)(F)F)n2nc(C(=O)OCC(C)[N+](=O)[O-])cc2n1 ZINC000870378370 596857783 /nfs/dbraw/zinc/85/77/83/596857783.db2.gz VTOUBWZUNFJJDM-ZETCQYMHSA-N 0 3 332.238 1.879 20 5 EDBDHN CN1CCC[C@H]2[C@H]1CCN2c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000872779057 597064283 /nfs/dbraw/zinc/06/42/83/597064283.db2.gz DKHNFKVXKNJJNB-KGLIPLIRSA-N 0 3 329.360 1.917 20 5 EDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877346685 597497773 /nfs/dbraw/zinc/49/77/73/597497773.db2.gz UILYIWIUOSLSGI-INIZCTEOSA-N 0 3 325.368 1.968 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)/C=C/C2CC2)CC1 ZINC000940019651 700135068 /nfs/dbraw/zinc/13/50/68/700135068.db2.gz QUJUPRPXUZSNSY-AATRIKPKSA-N 0 3 347.419 1.765 20 5 EDBDHN O=C(CN1CCCC1)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001004148839 711562310 /nfs/dbraw/zinc/56/23/10/711562310.db2.gz WIUPTWNNDPEXPI-UHFFFAOYSA-N 0 3 346.431 1.771 20 5 EDBDHN CN(C)CCOCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000345960752 282107950 /nfs/dbraw/zinc/10/79/50/282107950.db2.gz OHTFEFCZCVWNEW-UHFFFAOYSA-N 0 3 349.309 1.922 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000173741440 231020244 /nfs/dbraw/zinc/02/02/44/231020244.db2.gz RXZHFDGRKWISBK-KRWDZBQOSA-N 0 3 346.387 1.770 20 5 EDBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)Cc2ccc(C)o2)c1[N+](=O)[O-] ZINC000171679821 529465540 /nfs/dbraw/zinc/46/55/40/529465540.db2.gz DARANCZJWNWWBK-UHFFFAOYSA-N 0 3 349.391 1.986 20 5 EDBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)c1[N+](=O)[O-] ZINC000171679821 529465542 /nfs/dbraw/zinc/46/55/42/529465542.db2.gz DARANCZJWNWWBK-UHFFFAOYSA-N 0 3 349.391 1.986 20 5 EDBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000174723313 529468628 /nfs/dbraw/zinc/46/86/28/529468628.db2.gz JZVJELKNNRGUSQ-LBPRGKRZSA-N 0 3 335.408 1.875 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174869028 231328570 /nfs/dbraw/zinc/32/85/70/231328570.db2.gz JFDWKOHZAKJKSR-HNNXBMFYSA-N 0 3 329.404 1.998 20 5 EDBDHN CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2cnccc21 ZINC000176977860 282960640 /nfs/dbraw/zinc/96/06/40/282960640.db2.gz FVDJNQHGBNNXOM-UHFFFAOYSA-N 0 3 334.357 1.635 20 5 EDBDHN COC(=O)[C@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413500984 304064243 /nfs/dbraw/zinc/06/42/43/304064243.db2.gz OZPUGUDUDYMFHC-LBPRGKRZSA-N 0 3 344.371 1.684 20 5 EDBDHN C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)N(C)C ZINC000187186756 236141291 /nfs/dbraw/zinc/14/12/91/236141291.db2.gz GKZHOLYZFHVRRW-GUYCJALGSA-N 0 3 345.403 1.989 20 5 EDBDHN CC[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237022129 139038370 /nfs/dbraw/zinc/03/83/70/139038370.db2.gz PDFSWYYOCKKNOX-UHFFFAOYSA-N 0 3 341.311 1.501 20 5 EDBDHN Cc1c(C(=O)N2C[C@@H](C)NC[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237389871 139049833 /nfs/dbraw/zinc/04/98/33/139049833.db2.gz MMKQIJJTCWHDDW-GHMZBOCLSA-N 0 3 344.375 1.306 20 5 EDBDHN CN(CCN1CCCC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111607370 220170884 /nfs/dbraw/zinc/17/08/84/220170884.db2.gz TYANLGDPWXYSMH-UHFFFAOYSA-N 0 3 344.371 1.604 20 5 EDBDHN NC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000237899232 139063331 /nfs/dbraw/zinc/06/33/31/139063331.db2.gz SQTFRHQEZRKIHN-UHFFFAOYSA-N 0 3 332.404 1.905 20 5 EDBDHN COc1ccc([C@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246738895 139119645 /nfs/dbraw/zinc/11/96/45/139119645.db2.gz NVJWNKXEFREBAE-NVXWUHKLSA-N 0 3 346.387 1.998 20 5 EDBDHN O=C(NC[C@H]1NCCc2ccccc21)Nc1ccncc1[N+](=O)[O-] ZINC000415386432 304210930 /nfs/dbraw/zinc/21/09/30/304210930.db2.gz PFDSICZIJNWXOK-CQSZACIVSA-N 0 3 327.344 1.420 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)C[S@@](C)=O ZINC000248502054 139166363 /nfs/dbraw/zinc/16/63/63/139166363.db2.gz UCMLTKIWMWJEIN-DAOPMYJZSA-N 0 3 341.433 1.931 20 5 EDBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000261680099 139216957 /nfs/dbraw/zinc/21/69/57/139216957.db2.gz MPNXLUFFSAHCAY-UHFFFAOYSA-N 0 3 327.344 1.652 20 5 EDBDHN C[C@@H]1NCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000262701248 139297391 /nfs/dbraw/zinc/29/73/91/139297391.db2.gz ASYAUSHQJGPFCP-RYUDHWBXSA-N 0 3 329.360 1.603 20 5 EDBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000153609798 224129645 /nfs/dbraw/zinc/12/96/45/224129645.db2.gz XHLIWDBCTCMRLO-CQSZACIVSA-N 0 3 327.406 1.451 20 5 EDBDHN Cc1nn(CCC(=O)NCCN2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000263989282 139374126 /nfs/dbraw/zinc/37/41/26/139374126.db2.gz NESZUVJRCCYOPQ-LBPRGKRZSA-N 0 3 337.424 1.646 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000119346157 221300406 /nfs/dbraw/zinc/30/04/06/221300406.db2.gz WMEPAYOLSQTVOS-KGLIPLIRSA-N 0 3 335.408 1.433 20 5 EDBDHN CN(C)CCn1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1=O ZINC000270047689 140038787 /nfs/dbraw/zinc/03/87/87/140038787.db2.gz BTUJTWMDCZOSMK-UHFFFAOYSA-N 0 3 336.373 1.632 20 5 EDBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)CC(=O)N2C ZINC000271862598 140362553 /nfs/dbraw/zinc/36/25/53/140362553.db2.gz UHMUJWLYIOCPSZ-NSHDSACASA-N 0 3 329.360 1.661 20 5 EDBDHN CN(C)[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000331690000 141067920 /nfs/dbraw/zinc/06/79/20/141067920.db2.gz XXRSFELLZSPGNN-CQSZACIVSA-N 0 3 343.387 1.771 20 5 EDBDHN C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000332027184 141112697 /nfs/dbraw/zinc/11/26/97/141112697.db2.gz HJCUIATUTUACQR-SMDDNHRTSA-N 0 3 335.360 1.596 20 5 EDBDHN CCN1CC[C@@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000339388258 142034229 /nfs/dbraw/zinc/03/42/29/142034229.db2.gz ZSABPQXBXHPFBU-IRXDYDNUSA-N 0 3 335.404 1.769 20 5 EDBDHN C[C@H](CO)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000345687059 143121453 /nfs/dbraw/zinc/12/14/53/143121453.db2.gz YGYIUVMOQIOVRN-LLVKDONJSA-N 0 3 340.355 1.654 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346136963 143171519 /nfs/dbraw/zinc/17/15/19/143171519.db2.gz FJKIYFSDITYIIX-YRGRVCCFSA-N 0 3 335.408 1.288 20 5 EDBDHN C[C@@H]1[C@@H](N(C)CCO)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000347104140 143283135 /nfs/dbraw/zinc/28/31/35/143283135.db2.gz ZBMIRUWRHDXYSI-RISCZKNCSA-N 0 3 347.371 1.868 20 5 EDBDHN Cc1c(NC(=O)CCN2[C@@H](CO)CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000347301954 143305754 /nfs/dbraw/zinc/30/57/54/143305754.db2.gz FCJFUYOERMAMDP-CHWSQXEVSA-N 0 3 337.376 1.049 20 5 EDBDHN Cc1nc(CCN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000353203035 149322950 /nfs/dbraw/zinc/32/29/50/149322950.db2.gz QBZFZGHTRQWKKD-UHFFFAOYSA-N 0 3 333.348 1.789 20 5 EDBDHN CC(C)[C@H]1CC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000353623815 149468135 /nfs/dbraw/zinc/46/81/35/149468135.db2.gz SCBVMHSHFRHMPR-OLZOCXBDSA-N 0 3 341.433 1.897 20 5 EDBDHN CSC1(CNC(=O)c2ccc([N+](=O)[O-])n2C)CCN(C)CC1 ZINC000355455270 150275671 /nfs/dbraw/zinc/27/56/71/150275671.db2.gz MBKVMMCYHSVVKR-UHFFFAOYSA-N 0 3 326.422 1.491 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000355651578 150350550 /nfs/dbraw/zinc/35/05/50/150350550.db2.gz BCZVSZHLTDRBAC-GFCCVEGCSA-N 0 3 337.376 1.444 20 5 EDBDHN Cn1c(C(=O)NCC2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000357468145 151040894 /nfs/dbraw/zinc/04/08/94/151040894.db2.gz YHCOUSSCAPDTPD-UHFFFAOYSA-N 0 3 343.387 1.975 20 5 EDBDHN O=C1[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000573835425 306636483 /nfs/dbraw/zinc/63/64/83/306636483.db2.gz OPYXIQREPBTPIE-JGGQBBKZSA-N 0 3 349.387 1.078 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000367694054 154232227 /nfs/dbraw/zinc/23/22/27/154232227.db2.gz BAFOCCIWPUMKMP-ZBFHGGJFSA-N 0 3 332.404 1.873 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NC2CC(c3ccccn3)C2)cc1 ZINC000368020326 154371637 /nfs/dbraw/zinc/37/16/37/154371637.db2.gz VJWSEBMCHSDYTQ-JOCCRWCTSA-N 0 3 343.383 1.920 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c2nonc21 ZINC000375772646 157653390 /nfs/dbraw/zinc/65/33/90/157653390.db2.gz KDNNWJKQVCHXHY-ZWNOBZJWSA-N 0 3 333.348 1.166 20 5 EDBDHN C[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)CN1 ZINC000418084118 304456148 /nfs/dbraw/zinc/45/61/48/304456148.db2.gz OMEJQZQZZSCGRV-UWVGGRQHSA-N 0 3 332.364 1.363 20 5 EDBDHN C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000067764254 287247139 /nfs/dbraw/zinc/24/71/39/287247139.db2.gz IFJMQNRXCZVVST-CYBMUJFWSA-N 0 3 348.403 1.770 20 5 EDBDHN CCOc1cc(C(=O)NC[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000194724583 273005656 /nfs/dbraw/zinc/00/56/56/273005656.db2.gz KNROQRDHMQZWOY-NSHDSACASA-N 0 3 337.376 1.826 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273525150 268058671 /nfs/dbraw/zinc/05/86/71/268058671.db2.gz XMVIMMAWRLZQDD-SKDRFNHKSA-N 0 3 340.405 1.137 20 5 EDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000274057483 268103537 /nfs/dbraw/zinc/10/35/37/268103537.db2.gz ZOUAFOJSSWJHBK-IUODEOHRSA-N 0 3 341.433 1.946 20 5 EDBDHN Nc1c(F)c(N2CCC(CN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000274703391 268188834 /nfs/dbraw/zinc/18/88/34/268188834.db2.gz VIWVHNAKZTYERK-UHFFFAOYSA-N 0 3 338.383 1.865 20 5 EDBDHN CCN(CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000044669941 272911093 /nfs/dbraw/zinc/91/10/93/272911093.db2.gz KWMJBOCDPKYGFE-INIZCTEOSA-N 0 3 345.403 1.991 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1N(C)C ZINC000270406100 274181576 /nfs/dbraw/zinc/18/15/76/274181576.db2.gz ADJUAMPZKMRWQO-QWHCGFSZSA-N 0 3 349.416 1.589 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])N(C)C1 ZINC000284740026 274313257 /nfs/dbraw/zinc/31/32/57/274313257.db2.gz UPOFZPKQJPWAKV-JJGIJDNGSA-N 0 3 333.388 1.786 20 5 EDBDHN C[C@H]1NCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000262866234 274632736 /nfs/dbraw/zinc/63/27/36/274632736.db2.gz UOISUUWITKVDJB-NXEZZACHSA-N 0 3 330.344 1.671 20 5 EDBDHN Cc1cc(NC[C@H](O)CN2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272887671 278733867 /nfs/dbraw/zinc/73/38/67/278733867.db2.gz XGLGLGVQJQYSJF-AWEZNQCLSA-N 0 3 346.387 1.556 20 5 EDBDHN COC(=O)c1cc(C)nc(N2C[C@@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-] ZINC000287169375 288171859 /nfs/dbraw/zinc/17/18/59/288171859.db2.gz GWRGXMBVTBQFKG-RYUDHWBXSA-N 0 3 334.376 1.758 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000340878584 297063370 /nfs/dbraw/zinc/06/33/70/297063370.db2.gz JBDANTBNJVTVPK-SKDRFNHKSA-N 0 3 347.824 1.819 20 5 EDBDHN Cc1c(CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)cccc1[N+](=O)[O-] ZINC000419762383 304681612 /nfs/dbraw/zinc/68/16/12/304681612.db2.gz RYJUHMZWHHYJDO-AWEZNQCLSA-N 0 3 348.403 1.153 20 5 EDBDHN CC1=CC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293638272 302996099 /nfs/dbraw/zinc/99/60/99/302996099.db2.gz NRMHFOXSLIIANC-ZDUSSCGKSA-N 0 3 339.417 1.962 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000294655189 303133145 /nfs/dbraw/zinc/13/31/45/303133145.db2.gz NIEWBGUMDMZXJR-BXUZGUMPSA-N 0 3 337.376 1.131 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000294780256 303146484 /nfs/dbraw/zinc/14/64/84/303146484.db2.gz ZBMIRUWRHDXYSI-BXUZGUMPSA-N 0 3 347.371 1.868 20 5 EDBDHN Cc1cnc(N2CCC(CN3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000301421742 303678010 /nfs/dbraw/zinc/67/80/10/303678010.db2.gz FCRNYYWJYRHXSJ-UHFFFAOYSA-N 0 3 333.436 1.762 20 5 EDBDHN CCc1ccccc1[C@@H](N)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000423972045 304921693 /nfs/dbraw/zinc/92/16/93/304921693.db2.gz HPLYPGADKDFQGC-HNNXBMFYSA-N 0 3 345.403 1.905 20 5 EDBDHN CCOc1ccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000438785897 305189177 /nfs/dbraw/zinc/18/91/77/305189177.db2.gz XEPLNZOEGOIQQN-OAHLLOKOSA-N 0 3 334.376 1.683 20 5 EDBDHN COCC(COC)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449541820 305313425 /nfs/dbraw/zinc/31/34/25/305313425.db2.gz KXEFCESUCHSVAZ-LLVKDONJSA-N 0 3 325.365 1.563 20 5 EDBDHN COC(=O)[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccccc1 ZINC000452007869 305377904 /nfs/dbraw/zinc/37/79/04/305377904.db2.gz RMXCIUKEVOKFEJ-HZPDHXFCSA-N 0 3 344.371 1.680 20 5 EDBDHN COc1cccc(C(=O)NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000452349255 305391514 /nfs/dbraw/zinc/39/15/14/305391514.db2.gz BIBPKMRDLMYLCQ-GFCCVEGCSA-N 0 3 337.376 1.180 20 5 EDBDHN CCc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000452357764 305392176 /nfs/dbraw/zinc/39/21/76/305392176.db2.gz FKXCSNXISVKYID-OAHLLOKOSA-N 0 3 335.404 1.734 20 5 EDBDHN CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000516474870 305737385 /nfs/dbraw/zinc/73/73/85/305737385.db2.gz CGOVDGACFFFYSZ-SMDDNHRTSA-N 0 3 339.392 1.929 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCN1C ZINC000449939797 447416733 /nfs/dbraw/zinc/41/67/33/447416733.db2.gz KDJFDNBMVPDNEY-TZMCWYRMSA-N 0 3 343.387 1.993 20 5 EDBDHN CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415419983 447417834 /nfs/dbraw/zinc/41/78/34/447417834.db2.gz AHVNHOQJZPLLOH-SECBINFHSA-N 0 3 342.783 1.676 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000415431645 447433226 /nfs/dbraw/zinc/43/32/26/447433226.db2.gz SPEYEAATRSMGRU-GFCCVEGCSA-N 0 3 336.392 1.640 20 5 EDBDHN COC(=O)c1cc(C(=O)NC[C@@H](C)N(C)C2CC2)cc([N+](=O)[O-])c1 ZINC000057717969 441131349 /nfs/dbraw/zinc/13/13/49/441131349.db2.gz MRYZOBJHLFLLPE-SNVBAGLBSA-N 0 3 335.360 1.594 20 5 EDBDHN C[C@@H]1CCCN(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000047405017 441183443 /nfs/dbraw/zinc/18/34/43/441183443.db2.gz SRFQBUBSGLETAM-LLVKDONJSA-N 0 3 342.421 1.386 20 5 EDBDHN C[C@H]1CCCN(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000047146550 441159393 /nfs/dbraw/zinc/15/93/93/441159393.db2.gz YGWUFWFVNRWSQS-NSHDSACASA-N 0 3 331.376 1.933 20 5 EDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCN(C[C@H]2CCCO2)CC1 ZINC000047633037 441212744 /nfs/dbraw/zinc/21/27/44/441212744.db2.gz PFVWHMUSWKCANE-MRXNPFEDSA-N 0 3 347.415 1.851 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072936505 441277376 /nfs/dbraw/zinc/27/73/76/441277376.db2.gz NCNRKWVWWYIHOM-CYBMUJFWSA-N 0 3 349.387 1.509 20 5 EDBDHN CCCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(N)=O ZINC000063500173 441334028 /nfs/dbraw/zinc/33/40/28/441334028.db2.gz UQPJSBSRDSDVID-UHFFFAOYSA-N 0 3 336.392 1.819 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCN(C)Cc1ccccc1 ZINC000065720100 441478100 /nfs/dbraw/zinc/47/81/00/441478100.db2.gz ZQEZHZFFHRKMMR-UHFFFAOYSA-N 0 3 345.403 1.738 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000108406223 441452991 /nfs/dbraw/zinc/45/29/91/441452991.db2.gz AAPQIFRDABVWKV-LBPRGKRZSA-N 0 3 327.406 1.523 20 5 EDBDHN CN(C)CCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075802018 441555751 /nfs/dbraw/zinc/55/57/51/441555751.db2.gz MVDHREZTYIOLIP-UHFFFAOYSA-N 0 3 335.408 1.742 20 5 EDBDHN COC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000090015439 441614696 /nfs/dbraw/zinc/61/46/96/441614696.db2.gz YUUMTZSJIZMPCN-LBPRGKRZSA-N 0 3 345.421 1.134 20 5 EDBDHN Cc1ccc(C(=O)N2CCCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000077457313 441786130 /nfs/dbraw/zinc/78/61/30/441786130.db2.gz BDLBXBITMGRQLZ-UHFFFAOYSA-N 0 3 334.420 1.613 20 5 EDBDHN CCc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000174016918 441878404 /nfs/dbraw/zinc/87/84/04/441878404.db2.gz YJRWJWBHMQVYDC-UHFFFAOYSA-N 0 3 334.420 1.525 20 5 EDBDHN CCN1CCN(CCCNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000161499644 442005285 /nfs/dbraw/zinc/00/52/85/442005285.db2.gz UEWSCRIFVMCHMM-UHFFFAOYSA-N 0 3 348.447 1.590 20 5 EDBDHN CCCN(CC)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176213454 442192128 /nfs/dbraw/zinc/19/21/28/442192128.db2.gz UKUFGDAOFGCQME-UHFFFAOYSA-N 0 3 336.392 1.690 20 5 EDBDHN CCCN(CC)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000176217463 442194303 /nfs/dbraw/zinc/19/43/03/442194303.db2.gz MFUJTVSEMOAPJT-UHFFFAOYSA-N 0 3 336.392 1.690 20 5 EDBDHN Cc1ccnc(N2CCCC[C@H](N3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000127050359 442164965 /nfs/dbraw/zinc/16/49/65/442164965.db2.gz UREZJEAHSIAIIN-HNNXBMFYSA-N 0 3 333.436 1.905 20 5 EDBDHN CN(C)CCOc1ccccc1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000165392696 442209611 /nfs/dbraw/zinc/20/96/11/442209611.db2.gz GVHLDYAVPVMVTD-UHFFFAOYSA-N 0 3 347.375 1.199 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ccncc3)CC2)c1 ZINC000191650939 442483648 /nfs/dbraw/zinc/48/36/48/442483648.db2.gz NQQDYZSNMGKCIQ-INIZCTEOSA-N 0 3 331.376 1.427 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCN(C)C1CC1 ZINC000186752946 442606508 /nfs/dbraw/zinc/60/65/08/442606508.db2.gz GITSGOCANJESTC-UHFFFAOYSA-N 0 3 336.392 1.568 20 5 EDBDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157859621 442620627 /nfs/dbraw/zinc/62/06/27/442620627.db2.gz XQEGCIAZSBLSOM-UONOGXRCSA-N 0 3 337.424 1.808 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCN(C)C(C)C ZINC000181027874 442675850 /nfs/dbraw/zinc/67/58/50/442675850.db2.gz YKFVSXVIRUBGIZ-UHFFFAOYSA-N 0 3 336.392 1.607 20 5 EDBDHN C[C@@H]1CN(CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000192769598 442685027 /nfs/dbraw/zinc/68/50/27/442685027.db2.gz ZMHSQODOKLZENM-KGLIPLIRSA-N 0 3 335.408 1.197 20 5 EDBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181533190 442702467 /nfs/dbraw/zinc/70/24/67/442702467.db2.gz COHCJFRVAUBFHF-GFCCVEGCSA-N 0 3 335.360 1.880 20 5 EDBDHN Cn1c(=O)sc2cc(CNCCn3cc([N+](=O)[O-])cn3)ccc21 ZINC000192629898 442670410 /nfs/dbraw/zinc/67/04/10/442670410.db2.gz KMEPUIBWZPIUEY-UHFFFAOYSA-N 0 3 333.373 1.495 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000182217775 442746507 /nfs/dbraw/zinc/74/65/07/442746507.db2.gz OJDGFSQQBSAEFW-KBPBESRZSA-N 0 3 346.387 1.937 20 5 EDBDHN CO[C@@H]1CN[C@@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000189231339 442901749 /nfs/dbraw/zinc/90/17/49/442901749.db2.gz APGCHJRGAGNPMG-WCQYABFASA-N 0 3 331.332 1.300 20 5 EDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189462492 442960277 /nfs/dbraw/zinc/96/02/77/442960277.db2.gz FRWXWLITXBKNGJ-CJNGLKHVSA-N 0 3 337.420 1.405 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000189465606 442961343 /nfs/dbraw/zinc/96/13/43/442961343.db2.gz PBFQFRKERFZRAZ-CYBMUJFWSA-N 0 3 337.420 1.880 20 5 EDBDHN CC[C@H](C)N1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000296237923 318678413 /nfs/dbraw/zinc/67/84/13/318678413.db2.gz WWVQWGNDLIYBRN-AWEZNQCLSA-N 0 3 346.431 1.900 20 5 EDBDHN CC(C)CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000185179610 443155480 /nfs/dbraw/zinc/15/54/80/443155480.db2.gz YYKQISJLQIKHQH-UHFFFAOYSA-N 0 3 340.355 1.506 20 5 EDBDHN COc1cc(C(=O)NC(C)(C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000411101708 319165972 /nfs/dbraw/zinc/16/59/72/319165972.db2.gz RGDGNDTYGPQYIB-UHFFFAOYSA-N 0 3 325.365 1.682 20 5 EDBDHN CN(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000267092203 443339396 /nfs/dbraw/zinc/33/93/96/443339396.db2.gz IQEZOIFHHVRQHP-AWEZNQCLSA-N 0 3 327.381 1.901 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264656708 443363822 /nfs/dbraw/zinc/36/38/22/443363822.db2.gz UOGNXPKSXRRBFD-UHFFFAOYSA-N 0 3 334.420 1.233 20 5 EDBDHN Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000271973404 443520046 /nfs/dbraw/zinc/52/00/46/443520046.db2.gz CQFYVUZETKOVCE-NSHDSACASA-N 0 3 331.376 1.877 20 5 EDBDHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272271941 443575556 /nfs/dbraw/zinc/57/55/56/443575556.db2.gz RZNSUXWCUIRRNP-SECBINFHSA-N 0 3 335.389 1.623 20 5 EDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F ZINC000449668219 320199202 /nfs/dbraw/zinc/19/92/02/320199202.db2.gz WBIQRGIEULVYQB-LBPRGKRZSA-N 0 3 329.303 1.477 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000449742247 320203481 /nfs/dbraw/zinc/20/34/81/320203481.db2.gz YQOFSXIEQZJHGX-CQSZACIVSA-N 0 3 338.360 1.397 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000453041345 320260788 /nfs/dbraw/zinc/26/07/88/320260788.db2.gz UJWGSAFHPCIFAY-CJNGLKHVSA-N 0 3 332.404 1.949 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000285246320 443911164 /nfs/dbraw/zinc/91/11/64/443911164.db2.gz LOYUHNVKIXZYRF-HZTRFMAJSA-N 0 3 345.399 1.930 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000299209568 443983326 /nfs/dbraw/zinc/98/33/26/443983326.db2.gz HIBQOINTPXKGQK-DOMZBBRYSA-N 0 3 348.403 1.559 20 5 EDBDHN CC(C)n1cc([C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@H]2CO)cn1 ZINC000285437378 443983515 /nfs/dbraw/zinc/98/35/15/443983515.db2.gz JQLRIXLNUHHLKL-GJZGRUSLSA-N 0 3 348.407 1.277 20 5 EDBDHN CN(C)CCN1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299111683 443957785 /nfs/dbraw/zinc/95/77/85/443957785.db2.gz JRVOEDPDMTWMKW-UHFFFAOYSA-N 0 3 345.403 1.396 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285707454 444079720 /nfs/dbraw/zinc/07/97/20/444079720.db2.gz JDHVQYGPIDIRMZ-CVEARBPZSA-N 0 3 333.388 1.459 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000299635556 444102133 /nfs/dbraw/zinc/10/21/33/444102133.db2.gz KGSWJJJSAKDFIR-LBPRGKRZSA-N 0 3 346.387 1.608 20 5 EDBDHN COc1ccc(Cl)cc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571364414 321384097 /nfs/dbraw/zinc/38/40/97/321384097.db2.gz VSQNDYSRRLXLFM-CYBMUJFWSA-N 0 3 340.767 1.604 20 5 EDBDHN C[C@H](CN1CCCCC1)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301068765 444141939 /nfs/dbraw/zinc/14/19/39/444141939.db2.gz GBTGTVMKFAFQGZ-GFCCVEGCSA-N 0 3 331.376 1.889 20 5 EDBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000278330092 444142487 /nfs/dbraw/zinc/14/24/87/444142487.db2.gz FUGRDFYUIYPTHN-CQSZACIVSA-N 0 3 347.415 1.849 20 5 EDBDHN CCN1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000301076666 444142915 /nfs/dbraw/zinc/14/29/15/444142915.db2.gz PHFNZBDEAVZMRH-UHFFFAOYSA-N 0 3 328.394 1.138 20 5 EDBDHN Cc1cc(N2CCN(CCO)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302457053 444213873 /nfs/dbraw/zinc/21/38/73/444213873.db2.gz TXXKVBGZUILQOT-ZDUSSCGKSA-N 0 3 330.388 1.954 20 5 EDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301583567 444180791 /nfs/dbraw/zinc/18/07/91/444180791.db2.gz QOKXOGPDLBTBQM-OLZOCXBDSA-N 0 3 343.387 1.666 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000296068873 444202419 /nfs/dbraw/zinc/20/24/19/444202419.db2.gz CNNBUGSGFWVOAT-ZDUSSCGKSA-N 0 3 336.392 1.872 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]CCC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000314356821 444299818 /nfs/dbraw/zinc/29/98/18/444299818.db2.gz OYCFSACAMHLSBC-UHFFFAOYSA-N 0 3 329.378 1.024 20 5 EDBDHN C[C@@H]1C[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000580979501 322119760 /nfs/dbraw/zinc/11/97/60/322119760.db2.gz JKZOGSSZXSFCMA-OLZOCXBDSA-N 0 3 342.417 1.773 20 5 EDBDHN O=C(NCCNc1ccncc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000338075002 444508975 /nfs/dbraw/zinc/50/89/75/444508975.db2.gz YCHAGCVXVGAAHA-UHFFFAOYSA-N 0 3 341.371 1.828 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000340878580 444555292 /nfs/dbraw/zinc/55/52/92/444555292.db2.gz JBDANTBNJVTVPK-BXKDBHETSA-N 0 3 347.824 1.819 20 5 EDBDHN NC(=O)[C@H](Cc1ccc(F)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000342416026 444683134 /nfs/dbraw/zinc/68/31/34/444683134.db2.gz IOSXYZFZBCQAHH-HNNXBMFYSA-N 0 3 331.347 1.963 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCC(=O)NC1(C)C ZINC000338593509 444762745 /nfs/dbraw/zinc/76/27/45/444762745.db2.gz TYMDDTLZYHDNPT-GFCCVEGCSA-N 0 3 334.376 1.489 20 5 EDBDHN CCc1n[nH]c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000338611950 444774530 /nfs/dbraw/zinc/77/45/30/444774530.db2.gz YZANFDDNCXELJG-CYBMUJFWSA-N 0 3 345.403 1.783 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](n3cccn3)C2)c1 ZINC000338722441 444820785 /nfs/dbraw/zinc/82/07/85/444820785.db2.gz BWOUKIWZKCTTAR-HZPDHXFCSA-N 0 3 346.387 1.868 20 5 EDBDHN Cn1cc(CNC[C@@H]2COCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338716199 444818640 /nfs/dbraw/zinc/81/86/40/444818640.db2.gz NNRKDRRVGFPCSY-OAHLLOKOSA-N 0 3 332.360 1.500 20 5 EDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000342631627 444788155 /nfs/dbraw/zinc/78/81/55/444788155.db2.gz WADSDISVUNWYDH-CQSZACIVSA-N 0 3 346.387 1.975 20 5 EDBDHN CC(C)C[C@@H](Nc1ncc([N+](=O)[O-])s1)C(=O)NCCN(C)C ZINC000336991169 444890804 /nfs/dbraw/zinc/89/08/04/444890804.db2.gz XRYKYOLNVYOMFM-SNVBAGLBSA-N 0 3 329.426 1.556 20 5 EDBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343149619 445098230 /nfs/dbraw/zinc/09/82/30/445098230.db2.gz HYTVQZVOUDJIFC-AAEUAGOBSA-N 0 3 329.360 1.883 20 5 EDBDHN C[C@@H]1[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCN1C ZINC000343467113 445228036 /nfs/dbraw/zinc/22/80/36/445228036.db2.gz ZGVFJIFPEFCYKP-MLGOLLRUSA-N 0 3 343.387 1.993 20 5 EDBDHN CC(=O)N1CCC(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000354611607 445313355 /nfs/dbraw/zinc/31/33/55/445313355.db2.gz JDTUTEMHMJYJOP-NSHDSACASA-N 0 3 334.376 1.522 20 5 EDBDHN CCN1CCC[C@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000357140952 445450736 /nfs/dbraw/zinc/45/07/36/445450736.db2.gz FMUFSJYBCSNBCD-LBPRGKRZSA-N 0 3 337.376 1.826 20 5 EDBDHN CN(C)C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000360212876 445632096 /nfs/dbraw/zinc/63/20/96/445632096.db2.gz LSOGPGZRGUNCLB-LBPRGKRZSA-N 0 3 335.339 1.500 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN(C)C(C)C ZINC000349782780 445676962 /nfs/dbraw/zinc/67/69/62/445676962.db2.gz KNSZZZVULXPGNZ-NSHDSACASA-N 0 3 345.421 1.610 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@@]3(C2)CCCN(C)C3)c(C)c1[N+](=O)[O-] ZINC000356209607 445677119 /nfs/dbraw/zinc/67/71/19/445677119.db2.gz DDTIKKFHRODRST-KRWDZBQOSA-N 0 3 349.435 1.743 20 5 EDBDHN Cc1cc(NC[C@@H](CO)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360275748 445671544 /nfs/dbraw/zinc/67/15/44/445671544.db2.gz SOFJMYQPCPVKTA-OLZOCXBDSA-N 0 3 331.372 1.930 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000353776034 445749797 /nfs/dbraw/zinc/74/97/97/445749797.db2.gz JUXDQGOXQXMDAS-NSHDSACASA-N 0 3 326.374 1.742 20 5 EDBDHN CN(C)c1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000353782226 445753210 /nfs/dbraw/zinc/75/32/10/445753210.db2.gz UHLGBCXUKHAQEQ-UHFFFAOYSA-N 0 3 336.373 1.998 20 5 EDBDHN CN(C)c1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000353782226 445753213 /nfs/dbraw/zinc/75/32/13/445753213.db2.gz UHLGBCXUKHAQEQ-UHFFFAOYSA-N 0 3 336.373 1.998 20 5 EDBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356441350 445791185 /nfs/dbraw/zinc/79/11/85/445791185.db2.gz APOJKFZEMLODRO-UHFFFAOYSA-N 0 3 349.366 1.671 20 5 EDBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Cc1ccccc1 ZINC000356450957 445797071 /nfs/dbraw/zinc/79/70/71/445797071.db2.gz ZMZNSSQLVSFCPF-CYBMUJFWSA-N 0 3 343.387 1.674 20 5 EDBDHN CN(C)CCN1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000366094835 446009365 /nfs/dbraw/zinc/00/93/65/446009365.db2.gz QXYCOJUDJMEPRU-UHFFFAOYSA-N 0 3 338.383 1.443 20 5 EDBDHN CC1(C(N)=O)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000583810127 326144241 /nfs/dbraw/zinc/14/42/41/326144241.db2.gz WZPCUMVDQKNICC-UHFFFAOYSA-N 0 3 330.344 1.600 20 5 EDBDHN CCCCOC[C@H](O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365306150 446136930 /nfs/dbraw/zinc/13/69/30/446136930.db2.gz MZCXFIQAVYAQHI-DZGCQCFKSA-N 0 3 326.397 1.606 20 5 EDBDHN CC(C)CN1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000366390402 446188724 /nfs/dbraw/zinc/18/87/24/446188724.db2.gz NQZZMOSZSBOQDS-UHFFFAOYSA-N 0 3 338.412 1.165 20 5 EDBDHN CC(C)c1ccc(CN2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000366478175 446231041 /nfs/dbraw/zinc/23/10/41/446231041.db2.gz DCOCFAJSMZHDPX-KBPBESRZSA-N 0 3 331.372 1.813 20 5 EDBDHN CC(C)c1ccc(CN2CC[C@H]3C(=O)NC(=O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000366478180 446231151 /nfs/dbraw/zinc/23/11/51/446231151.db2.gz DCOCFAJSMZHDPX-KGLIPLIRSA-N 0 3 331.372 1.813 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000370366057 446249214 /nfs/dbraw/zinc/24/92/14/446249214.db2.gz IRVFJKTXYNXQMS-ZBFHGGJFSA-N 0 3 332.404 1.873 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000359493206 446256654 /nfs/dbraw/zinc/25/66/54/446256654.db2.gz LYZLFYZZUDLEOO-UHFFFAOYSA-N 0 3 333.348 1.370 20 5 EDBDHN C[C@@H]1CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000420245403 446429269 /nfs/dbraw/zinc/42/92/69/446429269.db2.gz ZRVODTXDOCELPC-CHWSQXEVSA-N 0 3 348.403 1.254 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3cn[nH]c3)CC2)c1 ZINC000376487217 446528608 /nfs/dbraw/zinc/52/86/08/446528608.db2.gz WICJMTSSZBWCRV-INIZCTEOSA-N 0 3 346.387 1.937 20 5 EDBDHN C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000367434327 446545738 /nfs/dbraw/zinc/54/57/38/446545738.db2.gz GPUIWUAHQDSIDB-DZGCQCFKSA-N 0 3 333.436 1.639 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000420460657 446639517 /nfs/dbraw/zinc/63/95/17/446639517.db2.gz NGGBWWKUNBTZMC-UONOGXRCSA-N 0 3 347.396 1.629 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+]CC2(C)C)c1C ZINC000420464463 446642190 /nfs/dbraw/zinc/64/21/90/446642190.db2.gz PCTCQGSMOSGOGP-CYBMUJFWSA-N 0 3 341.433 1.878 20 5 EDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CNCCO1 ZINC000418766179 446684417 /nfs/dbraw/zinc/68/44/17/446684417.db2.gz MOMJGIZAZXMKSF-OAHLLOKOSA-N 0 3 336.392 1.503 20 5 EDBDHN Cc1nn(C)c(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000371348765 446796227 /nfs/dbraw/zinc/79/62/27/446796227.db2.gz CTOFWEIJWFCMFS-TZMCWYRMSA-N 0 3 336.440 1.099 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CNc4ccnn4C3)CC2)cn1 ZINC000619265358 450438008 /nfs/dbraw/zinc/43/80/08/450438008.db2.gz PTVFLTBSYRCIKY-ZDUSSCGKSA-N 0 3 343.391 1.050 20 5 EDBDHN O=C(NC[C@H]1CCCCN1CCO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455338015 447112398 /nfs/dbraw/zinc/11/23/98/447112398.db2.gz RYYVUZJGMFNKIM-CYBMUJFWSA-N 0 3 340.355 1.702 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@@H]2CCCCO2)cc1 ZINC000570676588 448048035 /nfs/dbraw/zinc/04/80/35/448048035.db2.gz XJAWCZPARJGOJN-AWEZNQCLSA-N 0 3 342.417 1.917 20 5 EDBDHN COC(=O)CCNC(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000591025151 448238042 /nfs/dbraw/zinc/23/80/42/448238042.db2.gz JOQONLRVDILHPX-LBPRGKRZSA-N 0 3 337.376 1.623 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000591028972 448239756 /nfs/dbraw/zinc/23/97/56/448239756.db2.gz MMHVWMFLPKQEHV-SWLSCSKDSA-N 0 3 346.387 1.313 20 5 EDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000532196862 448215504 /nfs/dbraw/zinc/21/55/04/448215504.db2.gz GONWLCQMUKWCTE-NEPJUHHUSA-N 0 3 340.405 1.095 20 5 EDBDHN Cn1ccnc1[C@@H](NC[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])cc1 ZINC000591579997 448394946 /nfs/dbraw/zinc/39/49/46/448394946.db2.gz DQDSDLOAWPQDAZ-YDHLFZDLSA-N 0 3 333.367 1.707 20 5 EDBDHN Cn1ccnc1[C@H](NC[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])cc1 ZINC000591579996 448395205 /nfs/dbraw/zinc/39/52/05/448395205.db2.gz DQDSDLOAWPQDAZ-KCQAQPDRSA-N 0 3 333.367 1.707 20 5 EDBDHN CC1(C)CNCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000591678491 448448071 /nfs/dbraw/zinc/44/80/71/448448071.db2.gz VHKNRQIYZBEPBO-UHFFFAOYSA-N 0 3 329.360 1.605 20 5 EDBDHN CNc1nccc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000583943544 448466455 /nfs/dbraw/zinc/46/64/55/448466455.db2.gz MWSKBZIKPYKSDW-VXGBXAGGSA-N 0 3 335.408 2.024 20 5 EDBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000591756715 448482503 /nfs/dbraw/zinc/48/25/03/448482503.db2.gz TZDYQMDXUAFLGT-DOMZBBRYSA-N 0 3 336.392 1.232 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)NCc1cccc([N+](=O)[O-])c1)CCO2 ZINC000591934363 448589130 /nfs/dbraw/zinc/58/91/30/448589130.db2.gz WUFPXRKHUXUNTC-UHFFFAOYSA-N 0 3 348.403 1.601 20 5 EDBDHN CS(=O)(=O)N1CC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000519551703 448785532 /nfs/dbraw/zinc/78/55/32/448785532.db2.gz VFLMMFSAAQINIK-DIECRNLCSA-N 0 3 325.390 1.232 20 5 EDBDHN C[C@H](C(=O)NC[C@@H](O)CN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519740096 448830778 /nfs/dbraw/zinc/83/07/78/448830778.db2.gz OLTCWWLZWRQWJA-WMLDXEAASA-N 0 3 349.431 1.907 20 5 EDBDHN Cc1cc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)ccc1[N+](=O)[O-] ZINC000579950607 448918791 /nfs/dbraw/zinc/91/87/91/448918791.db2.gz KNPOXKGKONTQRK-AWEZNQCLSA-N 0 3 344.375 1.431 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCOc3ccc(F)cc32)c1 ZINC000568620891 448896109 /nfs/dbraw/zinc/89/61/09/448896109.db2.gz QPKFRVCAOFRFCK-JSGCOSHPSA-N 0 3 336.323 1.405 20 5 EDBDHN NC(=O)C[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000588977226 448956401 /nfs/dbraw/zinc/95/64/01/448956401.db2.gz KAHXJOVXWPOOBI-NSHDSACASA-N 0 3 348.359 1.090 20 5 EDBDHN CC(C)c1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC000588869429 448942951 /nfs/dbraw/zinc/94/29/51/448942951.db2.gz PFXDISFSMSKXBR-AWEZNQCLSA-N 0 3 335.404 1.905 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592898891 449042666 /nfs/dbraw/zinc/04/26/66/449042666.db2.gz MTWBQUWKQLXFTP-UHFFFAOYSA-N 0 3 333.388 1.461 20 5 EDBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599938490 449117074 /nfs/dbraw/zinc/11/70/74/449117074.db2.gz CAIHGXSLXYTWNH-LUKYLMHMSA-N 0 3 345.399 1.366 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443031 449164484 /nfs/dbraw/zinc/16/44/84/449164484.db2.gz JMJKCTABIYPGRU-RHSMWYFYSA-N 0 3 344.415 1.971 20 5 EDBDHN COc1cc(C(=O)N[C@H](CO)CN2CCCC2)cc([N+](=O)[O-])c1C ZINC000590372270 449138898 /nfs/dbraw/zinc/13/88/98/449138898.db2.gz ZXVHLKVUOHUXDJ-ZDUSSCGKSA-N 0 3 337.376 1.098 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](N(C)C)[C@@H]1C ZINC000590588712 449203845 /nfs/dbraw/zinc/20/38/45/449203845.db2.gz JCXCVQRJFFGHQL-AAEUAGOBSA-N 0 3 327.406 1.616 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000590589020 449205563 /nfs/dbraw/zinc/20/55/63/449205563.db2.gz LACINPXXVFORTN-WCQYABFASA-N 0 3 327.406 1.616 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000604489620 449239551 /nfs/dbraw/zinc/23/95/51/449239551.db2.gz RAXURTIMSJGRNO-QGZVFWFLSA-N 0 3 347.415 1.851 20 5 EDBDHN COC(=O)c1cc(C(=O)N(C)CCN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000593882391 449259832 /nfs/dbraw/zinc/25/98/32/449259832.db2.gz FBIIYUFBKBLNTB-UHFFFAOYSA-N 0 3 349.387 1.939 20 5 EDBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000598195717 449291182 /nfs/dbraw/zinc/29/11/82/449291182.db2.gz QVSRIKXZKQZJIX-CQSZACIVSA-N 0 3 343.387 1.707 20 5 EDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](N3CCOCC3)C2)c1 ZINC000593996464 449316599 /nfs/dbraw/zinc/31/65/99/449316599.db2.gz ODWTUGJYISCQKN-INIZCTEOSA-N 0 3 335.404 1.770 20 5 EDBDHN COC(=O)c1c(Cl)c(NC[C@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000596196125 449407494 /nfs/dbraw/zinc/40/74/94/449407494.db2.gz IUIHOSNMLZESNN-CQSZACIVSA-N 0 3 343.767 1.513 20 5 EDBDHN CN(C)[C@@]1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000611706890 449389593 /nfs/dbraw/zinc/38/95/93/449389593.db2.gz HMWHECOJPMAKCX-OAHLLOKOSA-N 0 3 333.417 2.387 20 5 EDBDHN NC(=O)c1cc(NC2CCN([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596167832 449393960 /nfs/dbraw/zinc/39/39/60/449393960.db2.gz NPXLMXOOJVRERT-ZDUSSCGKSA-N 0 3 334.376 1.359 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCN1 ZINC000598573033 449471673 /nfs/dbraw/zinc/47/16/73/449471673.db2.gz OAHUZZTWTSFEBQ-CQSZACIVSA-N 0 3 343.387 1.851 20 5 EDBDHN C[C@H]1C[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN1C ZINC000598599431 449484678 /nfs/dbraw/zinc/48/46/78/449484678.db2.gz OBWNYFSRTNKGQQ-RYUDHWBXSA-N 0 3 336.396 1.116 20 5 EDBDHN C[C@@H]1[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000600756769 449536350 /nfs/dbraw/zinc/53/63/50/449536350.db2.gz PIANJLVWSMLTOO-GHMZBOCLSA-N 0 3 341.389 1.089 20 5 EDBDHN CNCC(=O)Nc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cn1 ZINC000600791753 449547919 /nfs/dbraw/zinc/54/79/19/449547919.db2.gz GTNHEWLQKIXBQF-UHFFFAOYSA-N 0 3 330.344 1.350 20 5 EDBDHN CCCN1CC[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598634064 449508837 /nfs/dbraw/zinc/50/88/37/449508837.db2.gz LNFVQIQPLIJXEG-LBPRGKRZSA-N 0 3 336.396 1.118 20 5 EDBDHN CN(C)CCN(CC(=O)N(C)C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000596461656 449514274 /nfs/dbraw/zinc/51/42/74/449514274.db2.gz HMZBBZAKTIAUEE-UHFFFAOYSA-N 0 3 345.403 1.599 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)c(C)c1[N+](=O)[O-] ZINC000598721096 449562814 /nfs/dbraw/zinc/56/28/14/449562814.db2.gz SAQUBGBBCQOASR-GHMZBOCLSA-N 0 3 331.369 1.271 20 5 EDBDHN CC(C)[C@H]1CNCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000600951512 449612344 /nfs/dbraw/zinc/61/23/44/449612344.db2.gz RECUXCVYZABDAU-CQSZACIVSA-N 0 3 327.406 1.433 20 5 EDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000594765586 449678921 /nfs/dbraw/zinc/67/89/21/449678921.db2.gz XBEYXFHDEAGBQL-VXGBXAGGSA-N 0 3 340.405 1.095 20 5 EDBDHN Cc1ccc(CNC[C@]2(CO)COCC3(CCC3)N2C)cc1[N+](=O)[O-] ZINC000598991206 449684347 /nfs/dbraw/zinc/68/43/47/449684347.db2.gz WENOFQQDPGGOMX-SFHVURJKSA-N 0 3 349.431 1.609 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599095951 449728634 /nfs/dbraw/zinc/72/86/34/449728634.db2.gz ZIHIBGJQSAMURB-GFCCVEGCSA-N 0 3 343.387 1.699 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[NH2+]C23CCC3)cc1C ZINC000599106457 449739134 /nfs/dbraw/zinc/73/91/34/449739134.db2.gz ISJTVUQXPPTNQJ-AWEZNQCLSA-N 0 3 339.417 1.775 20 5 EDBDHN COc1cc(CNC[C@@H]2COCCN2C)c([N+](=O)[O-])cc1OC ZINC000599002883 449691100 /nfs/dbraw/zinc/69/11/00/449691100.db2.gz DIWLWQDDLNURHB-GFCCVEGCSA-N 0 3 325.365 1.032 20 5 EDBDHN CN(CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C1CC1 ZINC000599157000 449768446 /nfs/dbraw/zinc/76/84/46/449768446.db2.gz PWPVKZLUYQXLGO-UHFFFAOYSA-N 0 3 347.350 1.744 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1CN1CCOCC1 ZINC000602783425 449806444 /nfs/dbraw/zinc/80/64/44/449806444.db2.gz LSWVPAWTJBGCQG-HNNXBMFYSA-N 0 3 337.424 1.286 20 5 EDBDHN CCC[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CCN1CCOC ZINC000602796610 449817275 /nfs/dbraw/zinc/81/72/75/449817275.db2.gz DHJCVQWWZWGCCD-OAHLLOKOSA-N 0 3 339.440 1.532 20 5 EDBDHN COC[C@@H](CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000594956161 449819872 /nfs/dbraw/zinc/81/98/72/449819872.db2.gz VGPXIUKGOZQJNU-GFCCVEGCSA-N 0 3 326.349 1.507 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2nnc3n2CCC3)CC1 ZINC000602772189 449795159 /nfs/dbraw/zinc/79/51/59/449795159.db2.gz PQKATJYUONVYNV-UHFFFAOYSA-N 0 3 345.407 1.517 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602933068 449934063 /nfs/dbraw/zinc/93/40/63/449934063.db2.gz CBUABFYKHBRPJZ-LQAWEQHXSA-N 0 3 331.372 1.949 20 5 EDBDHN C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000609188196 449975430 /nfs/dbraw/zinc/97/54/30/449975430.db2.gz VSCWXMCEVDBFJT-GFCCVEGCSA-N 0 3 344.375 1.390 20 5 EDBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1F ZINC000595260925 449982462 /nfs/dbraw/zinc/98/24/62/449982462.db2.gz NMFVQZMUSANTTM-GHMZBOCLSA-N 0 3 346.156 1.869 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(c2ccncc2)CC1 ZINC000603084896 450056991 /nfs/dbraw/zinc/05/69/91/450056991.db2.gz YDBYXLBIUMNWJL-UHFFFAOYSA-N 0 3 344.375 1.234 20 5 EDBDHN C[C@@H]1CN(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000595481076 450173119 /nfs/dbraw/zinc/17/31/19/450173119.db2.gz NVNBXJAZDKPONG-OKILXGFUSA-N 0 3 337.424 1.537 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCC[C@@H]21 ZINC000599654063 450131517 /nfs/dbraw/zinc/13/15/17/450131517.db2.gz LEPPHBDHYFIQNV-RBSFLKMASA-N 0 3 349.387 1.420 20 5 EDBDHN CCCOc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610336072 450195088 /nfs/dbraw/zinc/19/50/88/450195088.db2.gz HWMJFXGLYBHOPT-OAHLLOKOSA-N 0 3 334.376 1.731 20 5 EDBDHN CCN(CCc1nccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000159336776 528607510 /nfs/dbraw/zinc/60/75/10/528607510.db2.gz VGXYBNCJZDGRQL-GFCCVEGCSA-N 0 3 325.394 1.173 20 5 EDBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181292217 529066355 /nfs/dbraw/zinc/06/63/55/529066355.db2.gz NHSHRPVMJOEKJA-GFCCVEGCSA-N 0 3 335.360 1.880 20 5 EDBDHN CCN1CCN(CCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000179567341 529145944 /nfs/dbraw/zinc/14/59/44/529145944.db2.gz UZABFKUAGDDZAA-UHFFFAOYSA-N 0 3 348.447 1.887 20 5 EDBDHN CN(C)CCn1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1=O ZINC000270272657 535934621 /nfs/dbraw/zinc/93/46/21/535934621.db2.gz UEBBUDVUUSBMBM-UHFFFAOYSA-N 0 3 344.371 1.499 20 5 EDBDHN CN(C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000270213910 535934813 /nfs/dbraw/zinc/93/48/13/535934813.db2.gz LRZXBINVURRZSS-UHFFFAOYSA-N 0 3 330.344 1.570 20 5 EDBDHN CN(C)CCOC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000733154564 578744232 /nfs/dbraw/zinc/74/42/32/578744232.db2.gz RBYHVPHHVXXMOY-UHFFFAOYSA-N 0 3 339.367 1.917 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000749679151 579734567 /nfs/dbraw/zinc/73/45/67/579734567.db2.gz VIVIRBSFWXGBMV-ZBFHGGJFSA-N 0 3 343.387 1.677 20 5 EDBDHN COC(=O)C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754516517 579905144 /nfs/dbraw/zinc/90/51/44/579905144.db2.gz KJXRNZDHRLOPEO-GXFFZTMASA-N 0 3 335.360 1.853 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000762966438 580088818 /nfs/dbraw/zinc/08/88/18/580088818.db2.gz GHRKERJRBAMDCO-VXGBXAGGSA-N 0 3 344.371 1.669 20 5 EDBDHN COC(=O)C[C@@]1(NCCOc2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000770702575 580268477 /nfs/dbraw/zinc/26/84/77/580268477.db2.gz POUUDHPWGFZSPP-INIZCTEOSA-N 0 3 338.360 1.676 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000776590936 580422913 /nfs/dbraw/zinc/42/29/13/580422913.db2.gz MKMIDBXJIAPHGK-BBRMVZONSA-N 0 3 331.376 1.632 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000738358442 598855667 /nfs/dbraw/zinc/85/56/67/598855667.db2.gz MFKPROYDZGWFOO-LBPRGKRZSA-N 0 3 343.391 1.697 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000738358442 598855669 /nfs/dbraw/zinc/85/56/69/598855669.db2.gz MFKPROYDZGWFOO-LBPRGKRZSA-N 0 3 343.391 1.697 20 5 EDBDHN CCN1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000891898115 590679023 /nfs/dbraw/zinc/67/90/23/590679023.db2.gz WDDSXGGXBPMVDU-CYBMUJFWSA-N 0 3 337.424 1.684 20 5 EDBDHN C[C@H]1[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCN1C ZINC000895734765 591264428 /nfs/dbraw/zinc/26/44/28/591264428.db2.gz AEJYCYWOHLEYJQ-ZFWWWQNUSA-N 0 3 334.420 1.932 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCC(O)CC2)c1C ZINC000896933310 591687250 /nfs/dbraw/zinc/68/72/50/591687250.db2.gz TTWCOZBXEPSHFR-UHFFFAOYSA-N 0 3 335.404 1.788 20 5 EDBDHN COc1cc(N2CC[C@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])cc1F ZINC000897221786 591776093 /nfs/dbraw/zinc/77/60/93/591776093.db2.gz OTSZFBHUCAJYLP-QWHCGFSZSA-N 0 3 339.367 1.778 20 5 EDBDHN CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000899736332 591925527 /nfs/dbraw/zinc/92/55/27/591925527.db2.gz APDJJSWGRZGZET-UHFFFAOYSA-N 0 3 335.282 1.268 20 5 EDBDHN COC[C@@H]1CNCCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000900452145 592021327 /nfs/dbraw/zinc/02/13/27/592021327.db2.gz ZGDOXLOVKFFIDC-VIFPVBQESA-N 0 3 345.197 1.485 20 5 EDBDHN CCC[C@H](NC[C@@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285701 592148861 /nfs/dbraw/zinc/14/88/61/592148861.db2.gz RQCWDTMSPOAQNW-DLBZAZTESA-N 0 3 337.420 1.719 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)C[C@]2(O)CCCN(C)C2)cc1[N+](=O)[O-] ZINC000900966931 592187363 /nfs/dbraw/zinc/18/73/63/592187363.db2.gz IPDGNPIXAIDAOD-SUMWQHHRSA-N 0 3 335.404 1.927 20 5 EDBDHN CN1CCC[C@](O)(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000901267987 592318919 /nfs/dbraw/zinc/31/89/19/592318919.db2.gz WRQKRMWAPFSFFN-SFHVURJKSA-N 0 3 347.415 1.933 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000905446295 592528541 /nfs/dbraw/zinc/52/85/41/592528541.db2.gz FOYMQJRSELLYEL-VHSXEESVSA-N 0 3 344.236 1.776 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000907547255 592702533 /nfs/dbraw/zinc/70/25/33/592702533.db2.gz FQSNLPRMYKDCCV-DOMZBBRYSA-N 0 3 339.417 1.475 20 5 EDBDHN C[C@@H](C(=O)N(CCO)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000911942177 593036723 /nfs/dbraw/zinc/03/67/23/593036723.db2.gz BMJOTBLHPXYDLT-CYBMUJFWSA-N 0 3 335.404 1.613 20 5 EDBDHN CC(=O)NCC[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000805821546 593148066 /nfs/dbraw/zinc/14/80/66/593148066.db2.gz BDRNRPRHUCWRPF-PBHICJAKSA-N 0 3 335.404 1.866 20 5 EDBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000838895986 593235852 /nfs/dbraw/zinc/23/58/52/593235852.db2.gz VHQDJESURWWZFO-CYBMUJFWSA-N 0 3 333.392 1.489 20 5 EDBDHN CC(C)S(=O)(=O)CCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000808726098 593282929 /nfs/dbraw/zinc/28/29/29/593282929.db2.gz PIVQKVOCWARPIH-STQMWFEESA-N 0 3 344.437 1.688 20 5 EDBDHN CC(COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1)[N+](=O)[O-] ZINC000813103141 593517471 /nfs/dbraw/zinc/51/74/71/593517471.db2.gz AHBPOOXHJZIHJZ-MQYQWHSLSA-N 0 3 334.376 1.823 20 5 EDBDHN COc1cccc(/C=C(/C(=O)OCC(C)[N+](=O)[O-])n2nnnc2C)c1 ZINC000813105067 593517849 /nfs/dbraw/zinc/51/78/49/593517849.db2.gz JKYFUVRYIJHQKK-DOQDJBIESA-N 0 3 347.331 1.197 20 5 EDBDHN Cc1c(Br)cc(C(=O)OCC(C)[N+](=O)[O-])c(=O)n1C ZINC000813111235 593518597 /nfs/dbraw/zinc/51/85/97/593518597.db2.gz DLEJZHXOJNWJNM-ZCFIWIBFSA-N 0 3 333.138 1.278 20 5 EDBDHN CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820752000 593881447 /nfs/dbraw/zinc/88/14/47/593881447.db2.gz JOURGSRNQUYGSP-GXFFZTMASA-N 0 3 331.380 1.916 20 5 EDBDHN CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820752000 593881448 /nfs/dbraw/zinc/88/14/48/593881448.db2.gz JOURGSRNQUYGSP-GXFFZTMASA-N 0 3 331.380 1.916 20 5 EDBDHN CN(C)CCN(CCN(C)C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823961527 593895344 /nfs/dbraw/zinc/89/53/44/593895344.db2.gz GNPGFGROYHKRLN-UHFFFAOYSA-N 0 3 338.412 1.134 20 5 EDBDHN CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821182017 593984804 /nfs/dbraw/zinc/98/48/04/593984804.db2.gz RTXPBIYVQIYPMY-SNVBAGLBSA-N 0 3 332.368 1.090 20 5 EDBDHN CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821182017 593984806 /nfs/dbraw/zinc/98/48/06/593984806.db2.gz RTXPBIYVQIYPMY-SNVBAGLBSA-N 0 3 332.368 1.090 20 5 EDBDHN CN1CCC2(CCCN2C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000828249088 594374442 /nfs/dbraw/zinc/37/44/42/594374442.db2.gz VWACVSUWBKKWQH-OAHLLOKOSA-N 0 3 333.388 1.715 20 5 EDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)CCN(C)C ZINC000826770856 594572940 /nfs/dbraw/zinc/57/29/40/594572940.db2.gz HPJPAXNWZBTXNO-UHFFFAOYSA-N 0 3 326.328 1.326 20 5 EDBDHN COCCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CCN(C)CC1 ZINC000832920082 594785140 /nfs/dbraw/zinc/78/51/40/594785140.db2.gz QWBNWYUNVNBTHP-UHFFFAOYSA-N 0 3 329.441 1.781 20 5 EDBDHN CN1CCC(CCO)(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000867250624 594845734 /nfs/dbraw/zinc/84/57/34/594845734.db2.gz KVKDVTNGBMNAKF-UHFFFAOYSA-N 0 3 339.367 1.239 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H]3CNCCO3)n2)c1 ZINC000843222352 595042402 /nfs/dbraw/zinc/04/24/02/595042402.db2.gz HBLMXHSIFCWKKA-LBPRGKRZSA-N 0 3 334.332 1.108 20 5 EDBDHN CN(C)C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000842225119 595044113 /nfs/dbraw/zinc/04/41/13/595044113.db2.gz IMRBLJGYULPFRK-UHFFFAOYSA-N 0 3 340.767 1.397 20 5 EDBDHN CCN1CCN(CCNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843797122 595189004 /nfs/dbraw/zinc/18/90/04/595189004.db2.gz SGQDHWWJIWXNQB-UHFFFAOYSA-N 0 3 338.383 1.410 20 5 EDBDHN Cc1c(C(=O)N[C@H]2CNCCC2(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834841927 595227467 /nfs/dbraw/zinc/22/74/67/595227467.db2.gz WZSPJDOOGPFHJS-NSHDSACASA-N 0 3 344.274 1.538 20 5 EDBDHN CC(C)(C)[C@H](O)C[C@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843103564 595287597 /nfs/dbraw/zinc/28/75/97/595287597.db2.gz BKQCQWYGCHEGCJ-BPLDGKMQSA-N 0 3 326.393 1.376 20 5 EDBDHN C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000847377639 595407390 /nfs/dbraw/zinc/40/73/90/595407390.db2.gz DSEONPNHKHIVCH-TUKIKUTGSA-N 0 3 334.376 1.116 20 5 EDBDHN Cc1c(NC(=O)CCN2C[C@@H]3COC(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000860162413 595601433 /nfs/dbraw/zinc/60/14/33/595601433.db2.gz WIUGPXJFXJUZBB-VXGBXAGGSA-N 0 3 333.344 1.337 20 5 EDBDHN CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000855489594 595725909 /nfs/dbraw/zinc/72/59/09/595725909.db2.gz AVMDYUAATDPKDI-AWEZNQCLSA-N 0 3 349.387 1.729 20 5 EDBDHN COc1cc(C(=O)OC[C@]2(C)C[C@H](OC)CN2C)ccc1[N+](=O)[O-] ZINC000861345942 595952825 /nfs/dbraw/zinc/95/28/25/595952825.db2.gz ZMAHTWZZBKFNNQ-LRDDRELGSA-N 0 3 338.360 1.869 20 5 EDBDHN Cc1nn(CN2CCN(CC(C)(C)O)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121208514 596327727 /nfs/dbraw/zinc/32/77/27/596327727.db2.gz LJQSJZXPHIFKRE-UHFFFAOYSA-N 0 3 347.419 1.599 20 5 EDBDHN CC(C)N1CCCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870880654 596387554 /nfs/dbraw/zinc/38/75/54/596387554.db2.gz IKSWDSWXIOGNBR-KRWDZBQOSA-N 0 3 334.420 1.711 20 5 EDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811230 596562761 /nfs/dbraw/zinc/56/27/61/596562761.db2.gz AXHFAKLVFXQFHW-PWSUYJOCSA-N 0 3 343.380 1.449 20 5 EDBDHN COC(=O)C1=CC[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000863571883 596622112 /nfs/dbraw/zinc/62/21/12/596622112.db2.gz GHWWUDMHWOTOSD-TZMCWYRMSA-N 0 3 336.344 1.186 20 5 EDBDHN CC(C)(CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000863582112 596625868 /nfs/dbraw/zinc/62/58/68/596625868.db2.gz DBAXRPJLCOPHNR-OAHLLOKOSA-N 0 3 335.404 1.866 20 5 EDBDHN CC(C)(O)CN1CC[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865997266 596752558 /nfs/dbraw/zinc/75/25/58/596752558.db2.gz WYOYGMNDJWPLRB-NSHDSACASA-N 0 3 327.356 1.483 20 5 EDBDHN Cc1cc(C(F)(F)F)n2nc(C(=O)OCC(C)[N+](=O)[O-])cc2n1 ZINC000870378366 596857798 /nfs/dbraw/zinc/85/77/98/596857798.db2.gz VTOUBWZUNFJJDM-SSDOTTSWSA-N 0 3 332.238 1.879 20 5 EDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CC1 ZINC000866350728 596863789 /nfs/dbraw/zinc/86/37/89/596863789.db2.gz HMBBTOVPVGTMKU-JTQLQIEISA-N 0 3 330.381 1.832 20 5 EDBDHN Cc1c(CN[C@@H]2CCN(CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000873052420 597172440 /nfs/dbraw/zinc/17/24/40/597172440.db2.gz PGPCGDIXERESNM-QGZVFWFLSA-N 0 3 348.447 1.399 20 5 EDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000874843564 597195427 /nfs/dbraw/zinc/19/54/27/597195427.db2.gz PWLNSYRKIFTWPJ-UONOGXRCSA-N 0 3 329.360 1.780 20 5 EDBDHN C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000882145415 597881065 /nfs/dbraw/zinc/88/10/65/597881065.db2.gz OFOMMMJNMBAWSW-OLZOCXBDSA-N 0 3 337.399 1.591 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738358086 598469165 /nfs/dbraw/zinc/46/91/65/598469165.db2.gz KSFMIOZCVJUCCC-ZDUSSCGKSA-N 0 3 343.391 1.840 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000917654063 697059291 /nfs/dbraw/zinc/05/92/91/697059291.db2.gz UQBNVJJBNFKUBM-GHMZBOCLSA-N 0 3 343.380 1.639 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000917654063 697059292 /nfs/dbraw/zinc/05/92/92/697059292.db2.gz UQBNVJJBNFKUBM-GHMZBOCLSA-N 0 3 343.380 1.639 20 5 EDBDHN O=C(c1cnon1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000997099750 703345357 /nfs/dbraw/zinc/34/53/57/703345357.db2.gz DEJFEUBTYASOHF-UHFFFAOYSA-N 0 3 337.361 1.434 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)C(C)(F)F)CC1 ZINC001034580060 710251824 /nfs/dbraw/zinc/25/18/24/710251824.db2.gz VGRGKTCYEQTEOI-MGCOHNPYSA-N 0 3 345.350 1.501 20 5 EDBDHN Cc1cc(CNCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)on1 ZINC001034816963 711199880 /nfs/dbraw/zinc/19/98/80/711199880.db2.gz XFMFILXZHZVLOO-HZPDHXFCSA-N 0 3 344.371 1.554 20 5 EDBDHN CC(=O)NC1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000050993454 214074273 /nfs/dbraw/zinc/07/42/73/214074273.db2.gz LCZGTZGABRQZEP-UHFFFAOYSA-N 0 3 348.403 1.832 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000068350565 282252576 /nfs/dbraw/zinc/25/25/76/282252576.db2.gz GDXPKTXBLHUUTN-ZDUSSCGKSA-N 0 3 335.360 1.339 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000068341610 215301348 /nfs/dbraw/zinc/30/13/48/215301348.db2.gz XGINGKBDKHEEGO-ZDUSSCGKSA-N 0 3 344.375 1.342 20 5 EDBDHN CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CCCN(C)C1 ZINC000181168427 234103074 /nfs/dbraw/zinc/10/30/74/234103074.db2.gz VXSKEIPLBPRABF-WBMJQRKESA-N 0 3 346.387 1.640 20 5 EDBDHN CC[C@H](CNS(C)(=O)=O)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562786319 306308872 /nfs/dbraw/zinc/30/88/72/306308872.db2.gz BUQYMGLRZOBYBW-VXGBXAGGSA-N 0 3 329.422 1.882 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000184323266 235367756 /nfs/dbraw/zinc/36/77/56/235367756.db2.gz DCKRXSRFUWNDKD-NSHDSACASA-N 0 3 326.422 1.412 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H](CO)CN1CCCCC1 ZINC000413822008 304078136 /nfs/dbraw/zinc/07/81/36/304078136.db2.gz SYUNBDJIYLGULB-ZDUSSCGKSA-N 0 3 339.367 1.239 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)CN1 ZINC000237375207 139049475 /nfs/dbraw/zinc/04/94/75/139049475.db2.gz QPRPINWSTXGZCC-NEPJUHHUSA-N 0 3 329.360 1.603 20 5 EDBDHN O=C(NC[C@@H]1NCCc2ccccc21)Nc1ccncc1[N+](=O)[O-] ZINC000415386431 304211054 /nfs/dbraw/zinc/21/10/54/304211054.db2.gz PFDSICZIJNWXOK-AWEZNQCLSA-N 0 3 327.344 1.420 20 5 EDBDHN C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000248876958 139178732 /nfs/dbraw/zinc/17/87/32/139178732.db2.gz OANOOIUNBGNDBF-QWHCGFSZSA-N 0 3 348.403 1.770 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](N)Cc2ccccc21 ZINC000261735825 139221852 /nfs/dbraw/zinc/22/18/52/139221852.db2.gz SDUMRNNUSUDHMO-CYBMUJFWSA-N 0 3 347.396 1.982 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000262282722 139266401 /nfs/dbraw/zinc/26/64/01/139266401.db2.gz UWOWYIYQEQCAMJ-UHFFFAOYSA-N 0 3 341.371 1.960 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000262776168 139302711 /nfs/dbraw/zinc/30/27/11/139302711.db2.gz NQDVOOWFRBNXOF-RYUDHWBXSA-N 0 3 327.406 1.630 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)CC[C@H]1C ZINC000421007436 251822837 /nfs/dbraw/zinc/82/28/37/251822837.db2.gz HLPOESVCTTUYAN-DGCLKSJQSA-N 0 3 337.376 1.777 20 5 EDBDHN C[C@@H]1[C@H](CO)CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000488754023 255052786 /nfs/dbraw/zinc/05/27/86/255052786.db2.gz OFPKUXDPPOFOSQ-NEPJUHHUSA-N 0 3 335.360 1.596 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@H](O)CN1CCOCC1 ZINC000347363540 533406644 /nfs/dbraw/zinc/40/66/44/533406644.db2.gz RSFCRXXWOMRDCS-KAPURRDVSA-N 0 3 349.431 1.623 20 5 EDBDHN CNc1nc(C(=O)N(C)C(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000416333104 304310096 /nfs/dbraw/zinc/31/00/96/304310096.db2.gz KEVZQZPJSWBAKP-UHFFFAOYSA-N 0 3 335.408 1.978 20 5 EDBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331430318 141025346 /nfs/dbraw/zinc/02/53/46/141025346.db2.gz LYYJRWUIDFHLRQ-MJBXVCDLSA-N 0 3 347.419 1.875 20 5 EDBDHN CC1CCN(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000331570016 141049918 /nfs/dbraw/zinc/04/99/18/141049918.db2.gz LSOJHPRMGCAMLW-CQSZACIVSA-N 0 3 347.419 1.735 20 5 EDBDHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331961799 141103464 /nfs/dbraw/zinc/10/34/64/141103464.db2.gz BCMBFRAMKARZMC-OAGGEKHMSA-N 0 3 349.431 1.893 20 5 EDBDHN CCN1CCN(CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000340298084 142334158 /nfs/dbraw/zinc/33/41/58/142334158.db2.gz VTFPQPYBRHQTPS-UHFFFAOYSA-N 0 3 348.447 1.626 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CS(=O)(=O)CCO1 ZINC000344812937 143014932 /nfs/dbraw/zinc/01/49/32/143014932.db2.gz NWNSCGLUIAWLKF-WASHYIJTSA-N 0 3 340.401 1.401 20 5 EDBDHN CN(C)C1(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000344827659 143016977 /nfs/dbraw/zinc/01/69/77/143016977.db2.gz IQSSNINXGKLFHJ-UHFFFAOYSA-N 0 3 348.403 1.852 20 5 EDBDHN COc1cc(OCC(=O)N(C)[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000347006128 143270496 /nfs/dbraw/zinc/27/04/96/143270496.db2.gz MKBQWSNBZKIDAL-ZDUSSCGKSA-N 0 3 349.387 1.677 20 5 EDBDHN NC(=O)[C@@H](Cc1ccccc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000351440985 143568532 /nfs/dbraw/zinc/56/85/32/143568532.db2.gz JHJBTAXEVCHVNN-MRXNPFEDSA-N 0 3 328.372 1.693 20 5 EDBDHN O=C(NC1CCCCC1)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370028614 155288952 /nfs/dbraw/zinc/28/89/52/155288952.db2.gz QRKFYAAVGVGFNV-AWEZNQCLSA-N 0 3 349.435 1.952 20 5 EDBDHN CN1CCC[C@@H](N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000360972242 152267737 /nfs/dbraw/zinc/26/77/37/152267737.db2.gz JFVRDMRIPXVZJD-QGZVFWFLSA-N 0 3 346.431 1.376 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CC12CC[NH2+]CC2 ZINC000367820404 154283784 /nfs/dbraw/zinc/28/37/84/154283784.db2.gz BUDCIJKBJBQQCG-ZDUSSCGKSA-N 0 3 341.389 1.024 20 5 EDBDHN CCCc1n[n-]c(C(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000369499316 155061265 /nfs/dbraw/zinc/06/12/65/155061265.db2.gz GIXUMJLOIFIYAT-NSHDSACASA-N 0 3 346.391 1.802 20 5 EDBDHN COC(=O)[C@]12CCC[C@H]1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000371705158 156070615 /nfs/dbraw/zinc/07/06/15/156070615.db2.gz AHXSJSWHHGVKQI-LXZKKBNFSA-N 0 3 334.372 1.903 20 5 EDBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000352140323 162006596 /nfs/dbraw/zinc/00/65/96/162006596.db2.gz KRYJTJXKNQMGBG-AWEZNQCLSA-N 0 3 343.387 1.878 20 5 EDBDHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000159940641 225306793 /nfs/dbraw/zinc/30/67/93/225306793.db2.gz JRWADCYGABLQAX-ZDUSSCGKSA-N 0 3 329.360 1.712 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000122201957 222036199 /nfs/dbraw/zinc/03/61/99/222036199.db2.gz DVBPXTUMYGORHZ-LBPRGKRZSA-N 0 3 337.376 1.636 20 5 EDBDHN C[C@@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000152863083 287617645 /nfs/dbraw/zinc/61/76/45/287617645.db2.gz TXZZINRJNBOLGO-VXGBXAGGSA-N 0 3 327.406 1.527 20 5 EDBDHN CN(C)C1(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000189140060 267770822 /nfs/dbraw/zinc/77/08/22/267770822.db2.gz NJFPRCBLLSJGLJ-UHFFFAOYSA-N 0 3 333.435 1.761 20 5 EDBDHN CN(C)C1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000273445909 273040495 /nfs/dbraw/zinc/04/04/95/273040495.db2.gz CKNPADMPNMPMRH-UHFFFAOYSA-N 0 3 341.433 1.889 20 5 EDBDHN CS[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000273862114 273058141 /nfs/dbraw/zinc/05/81/41/273058141.db2.gz ONTDUQBXMNLZAX-NWDGAFQWSA-N 0 3 325.394 1.499 20 5 EDBDHN CN(C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276942224 273170995 /nfs/dbraw/zinc/17/09/95/273170995.db2.gz AWNNURYEMOLMDF-LBPRGKRZSA-N 0 3 341.433 1.919 20 5 EDBDHN COc1ccc(CNCC2(OCCO)CCOCC2)cc1[N+](=O)[O-] ZINC000282656705 273695694 /nfs/dbraw/zinc/69/56/94/273695694.db2.gz LPJKUZOGXVRRKE-UHFFFAOYSA-N 0 3 340.376 1.251 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284377907 274180926 /nfs/dbraw/zinc/18/09/26/274180926.db2.gz FJUABELIAONCAR-FMKPAKJESA-N 0 3 336.388 1.978 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000268306753 274723981 /nfs/dbraw/zinc/72/39/81/274723981.db2.gz YHCXJGIUEZLKFY-WCQYABFASA-N 0 3 327.406 1.474 20 5 EDBDHN Cc1nc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000362395302 274842075 /nfs/dbraw/zinc/84/20/75/274842075.db2.gz IJEWUZJZAOQHJR-UKRRQHHQSA-N 0 3 333.436 1.760 20 5 EDBDHN CCCC[C@H](COC)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000268878643 275985423 /nfs/dbraw/zinc/98/54/23/275985423.db2.gz HSBJJDRNZYPNCY-FVQBIDKESA-N 0 3 326.393 1.784 20 5 EDBDHN CCOC(=O)c1ccnc(N2CC[C@@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272196666 276300587 /nfs/dbraw/zinc/30/05/87/276300587.db2.gz NTGOUVKFKFGYPS-AAEUAGOBSA-N 0 3 334.376 1.697 20 5 EDBDHN Cc1n[n-]c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286468610 288013654 /nfs/dbraw/zinc/01/36/54/288013654.db2.gz IMINHEVTVWJRKB-UHFFFAOYSA-N 0 3 335.364 1.813 20 5 EDBDHN Cc1n[n-]c(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286468610 288013655 /nfs/dbraw/zinc/01/36/55/288013655.db2.gz IMINHEVTVWJRKB-UHFFFAOYSA-N 0 3 335.364 1.813 20 5 EDBDHN Cc1n[nH]c(C(=O)N(C)CCCN(C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286468610 288013656 /nfs/dbraw/zinc/01/36/56/288013656.db2.gz IMINHEVTVWJRKB-UHFFFAOYSA-N 0 3 335.364 1.813 20 5 EDBDHN C[C@@H](CN1CCOCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000091514442 278264542 /nfs/dbraw/zinc/26/45/42/278264542.db2.gz XENDNFMJNKZFGI-KBPBESRZSA-N 0 3 335.408 1.197 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC000070120692 280369705 /nfs/dbraw/zinc/36/97/05/280369705.db2.gz QHUCFNMDUDVUEI-SECBINFHSA-N 0 3 333.797 1.669 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@](CO)(c2ccccc2)C1 ZINC000291797689 289183305 /nfs/dbraw/zinc/18/33/05/289183305.db2.gz MZFSSIPJVKFGQY-SFHVURJKSA-N 0 3 343.383 1.393 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](n2cccn2)C1 ZINC000291889526 289207031 /nfs/dbraw/zinc/20/70/31/289207031.db2.gz QPSHGWAJFUTVAE-UONOGXRCSA-N 0 3 332.360 1.478 20 5 EDBDHN COC(=O)Cn1cc(CCNC(C)(C)c2ccccc2[N+](=O)[O-])nn1 ZINC000292103573 289261819 /nfs/dbraw/zinc/26/18/19/289261819.db2.gz IGTPSBPQQZZSRZ-UHFFFAOYSA-N 0 3 347.375 1.427 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292119264 289265727 /nfs/dbraw/zinc/26/57/27/289265727.db2.gz WLZWQDUTSMLLHV-HNNXBMFYSA-N 0 3 339.417 1.620 20 5 EDBDHN CC1(C)CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CCN1 ZINC000420279240 304742677 /nfs/dbraw/zinc/74/26/77/304742677.db2.gz OXDJXPVZPGCLMV-UHFFFAOYSA-N 0 3 348.403 1.255 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000295020521 303163533 /nfs/dbraw/zinc/16/35/33/303163533.db2.gz HJMUEVLDHPWBAC-LLVKDONJSA-N 0 3 327.768 1.651 20 5 EDBDHN COCCOC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295609533 303241756 /nfs/dbraw/zinc/24/17/56/303241756.db2.gz VFIZXIUQWMMJTL-INIZCTEOSA-N 0 3 326.393 1.829 20 5 EDBDHN COC[C@@](C)(CCO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298715040 303548852 /nfs/dbraw/zinc/54/88/52/303548852.db2.gz UHCSCXXOMFQSPF-OAHLLOKOSA-N 0 3 325.365 1.301 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428547042 305011313 /nfs/dbraw/zinc/01/13/13/305011313.db2.gz LJULKOLBOVTGCD-CYBMUJFWSA-N 0 3 345.359 1.147 20 5 EDBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000436726605 305166631 /nfs/dbraw/zinc/16/66/31/305166631.db2.gz WGLWHFVKFYQSGS-CQSZACIVSA-N 0 3 343.387 1.701 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000441238013 305219345 /nfs/dbraw/zinc/21/93/45/305219345.db2.gz XRLPWHVHCQRLOX-JSGCOSHPSA-N 0 3 347.419 1.931 20 5 EDBDHN NC(=O)c1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441275958 305220198 /nfs/dbraw/zinc/22/01/98/305220198.db2.gz IWDSOBLJHRAXKH-UKRRQHHQSA-N 0 3 333.388 1.942 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000443778499 305241160 /nfs/dbraw/zinc/24/11/60/305241160.db2.gz HJHMSIMFVVAZMZ-SMDDNHRTSA-N 0 3 327.406 1.307 20 5 EDBDHN O=C(NCCN1CCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448604932 305299491 /nfs/dbraw/zinc/29/94/91/305299491.db2.gz JWHAYLAKSOPDCU-UHFFFAOYSA-N 0 3 329.360 1.811 20 5 EDBDHN C[C@@H]1CN(C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000448943946 305305118 /nfs/dbraw/zinc/30/51/18/305305118.db2.gz BGEJGWFTELFLKF-LLVKDONJSA-N 0 3 329.360 1.761 20 5 EDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000449153488 305308098 /nfs/dbraw/zinc/30/80/98/305308098.db2.gz DMXBUUUHJPFFRN-WFASDCNBSA-N 0 3 343.387 1.654 20 5 EDBDHN C[C@H](C(=O)NC[C@H](O)CN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519740103 305774027 /nfs/dbraw/zinc/77/40/27/305774027.db2.gz OLTCWWLZWRQWJA-YOEHRIQHSA-N 0 3 349.431 1.907 20 5 EDBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[C@@H]1N1CCN(C)CC1 ZINC000535020983 306011001 /nfs/dbraw/zinc/01/10/01/306011001.db2.gz YKISFBCCMXQPBQ-HIFRSBDPSA-N 0 3 349.435 1.031 20 5 EDBDHN CN(C)[C@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000551888010 306165673 /nfs/dbraw/zinc/16/56/73/306165673.db2.gz CKNGGWPWQBLISI-GDBMZVCRSA-N 0 3 349.387 1.820 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000047270971 441172216 /nfs/dbraw/zinc/17/22/16/441172216.db2.gz XBBFBQACFQOMQO-CQSZACIVSA-N 0 3 349.435 1.990 20 5 EDBDHN COc1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000108300241 441441266 /nfs/dbraw/zinc/44/12/66/441441266.db2.gz ZYXANDJNRJAFRK-LBPRGKRZSA-N 0 3 349.387 1.826 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000108339693 441447272 /nfs/dbraw/zinc/44/72/72/441447272.db2.gz STZTXNNHERTPHU-ZDUSSCGKSA-N 0 3 343.387 1.852 20 5 EDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCN(C)C1 ZINC000108338632 441448032 /nfs/dbraw/zinc/44/80/32/441448032.db2.gz UGECQEVEBNBRGV-CHWSQXEVSA-N 0 3 348.403 1.171 20 5 EDBDHN CCN(C)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112926556 441570314 /nfs/dbraw/zinc/57/03/14/441570314.db2.gz IHZARKIKSAFURS-UHFFFAOYSA-N 0 3 331.376 1.677 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000055242283 441632944 /nfs/dbraw/zinc/63/29/44/441632944.db2.gz QPQFOJBMUOPJPP-QWHCGFSZSA-N 0 3 343.380 1.639 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000055242283 441632947 /nfs/dbraw/zinc/63/29/47/441632947.db2.gz QPQFOJBMUOPJPP-QWHCGFSZSA-N 0 3 343.380 1.639 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CCO)c1ccccc1 ZINC000090550918 441633952 /nfs/dbraw/zinc/63/39/52/441633952.db2.gz RIPYJVFVPWSKGN-MRXNPFEDSA-N 0 3 331.372 1.812 20 5 EDBDHN C[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000114379237 441651020 /nfs/dbraw/zinc/65/10/20/441651020.db2.gz SLXVNXVNVRVLAW-PXTSUWAFSA-N 0 3 346.431 1.608 20 5 EDBDHN C[C@@H]1CCCN(CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173509235 441773731 /nfs/dbraw/zinc/77/37/31/441773731.db2.gz DMBSEVNZNXEHNH-CQSZACIVSA-N 0 3 334.420 1.879 20 5 EDBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000138637149 441795685 /nfs/dbraw/zinc/79/56/85/441795685.db2.gz FXYJKJVBYJSCIR-UHFFFAOYSA-N 0 3 325.340 1.575 20 5 EDBDHN O=C(NCC1CCN(CCO)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000160610540 441902191 /nfs/dbraw/zinc/90/21/91/441902191.db2.gz QGUVZWGCEXIGHO-UHFFFAOYSA-N 0 3 341.795 1.682 20 5 EDBDHN COc1ccc(C(=O)NCC2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000160698497 441910335 /nfs/dbraw/zinc/91/03/35/441910335.db2.gz UYNKXDGJJMCKCN-UHFFFAOYSA-N 0 3 337.376 1.038 20 5 EDBDHN CN(C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)Cc1ccccc1 ZINC000160488410 441888462 /nfs/dbraw/zinc/88/84/62/441888462.db2.gz YIMQFGNOJFJKME-CYBMUJFWSA-N 0 3 331.376 1.231 20 5 EDBDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000069137261 441897491 /nfs/dbraw/zinc/89/74/91/441897491.db2.gz LQOOZRKAWGNMQF-GFCCVEGCSA-N 0 3 327.406 1.605 20 5 EDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCN3CCC[C@@H]3C2)cc1 ZINC000146603615 441898742 /nfs/dbraw/zinc/89/87/42/441898742.db2.gz TYCQCEBXOXKVIS-OAHLLOKOSA-N 0 3 339.417 1.595 20 5 EDBDHN CC[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000125304054 442006800 /nfs/dbraw/zinc/00/68/00/442006800.db2.gz VXOBDYHBWOEDHP-HNNXBMFYSA-N 0 3 348.403 1.219 20 5 EDBDHN CCN1CCC[C@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162125960 442066269 /nfs/dbraw/zinc/06/62/69/442066269.db2.gz HITYFUYTXSRAFV-AWEZNQCLSA-N 0 3 341.433 1.541 20 5 EDBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221310 442195114 /nfs/dbraw/zinc/19/51/14/442195114.db2.gz BWMZIRQXKVXPSA-KBPBESRZSA-N 0 3 337.424 1.808 20 5 EDBDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176239172 442198345 /nfs/dbraw/zinc/19/83/45/442198345.db2.gz IAUGVYHSPKAQCQ-NSHDSACASA-N 0 3 327.385 1.636 20 5 EDBDHN CCN1CCN(CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173088148 442601125 /nfs/dbraw/zinc/60/11/25/442601125.db2.gz XMDVNXYFWCKTDH-UHFFFAOYSA-N 0 3 334.420 1.281 20 5 EDBDHN Cc1ccc([C@H](C)NCCN2C(=O)NC(C)(C)C2=O)cc1[N+](=O)[O-] ZINC000181813028 442717730 /nfs/dbraw/zinc/71/77/30/442717730.db2.gz CIMUIWLFKUJERS-NSHDSACASA-N 0 3 334.376 1.884 20 5 EDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)CNC2 ZINC000188677285 442786727 /nfs/dbraw/zinc/78/67/27/442786727.db2.gz KIQNCGAKVQWANE-UHFFFAOYSA-N 0 3 327.340 1.893 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000268189503 442890493 /nfs/dbraw/zinc/89/04/93/442890493.db2.gz DOHGPHDVTYRQFG-SMDDNHRTSA-N 0 3 327.406 1.307 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000272493286 443338425 /nfs/dbraw/zinc/33/84/25/443338425.db2.gz NEASOYZIEYZUHJ-KBPBESRZSA-N 0 3 335.408 1.351 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCSC2)cc1 ZINC000278658804 443392964 /nfs/dbraw/zinc/39/29/64/443392964.db2.gz GMCNKGKXFVJUEO-LLVKDONJSA-N 0 3 330.431 1.711 20 5 EDBDHN O=C(NCC1CC1)[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269656851 443382472 /nfs/dbraw/zinc/38/24/72/443382472.db2.gz OTDOFTOIPKJBDV-NVXWUHKLSA-N 0 3 347.415 1.866 20 5 EDBDHN Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000264769093 443416203 /nfs/dbraw/zinc/41/62/03/443416203.db2.gz OCJKWNGSYXPPLN-LLVKDONJSA-N 0 3 331.376 1.877 20 5 EDBDHN COc1cc(OCC(=O)N[C@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272752157 443433054 /nfs/dbraw/zinc/43/30/54/443433054.db2.gz DZNLPVIDXQSWFQ-GFCCVEGCSA-N 0 3 349.387 1.749 20 5 EDBDHN CC(C)N1C[C@@H](C)[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000272906197 443485739 /nfs/dbraw/zinc/48/57/39/443485739.db2.gz NAXPPFIMZOIZRH-MFKMUULPSA-N 0 3 342.421 1.383 20 5 EDBDHN NS(=O)(=O)C[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265075663 443524701 /nfs/dbraw/zinc/52/47/01/443524701.db2.gz YFQAKHRZANZLCH-CYBMUJFWSA-N 0 3 327.406 1.138 20 5 EDBDHN O=C(NC1CC1)N[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000274015593 443591915 /nfs/dbraw/zinc/59/19/15/443591915.db2.gz ORLUTZOYVBPOQU-AWEZNQCLSA-N 0 3 348.403 1.900 20 5 EDBDHN CCO[C@@H]1COC[C@H]1N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449729027 320203048 /nfs/dbraw/zinc/20/30/48/320203048.db2.gz YJKRKSLJKUEXHO-KCPJHIHWSA-N 0 3 337.376 1.705 20 5 EDBDHN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000452112978 320242067 /nfs/dbraw/zinc/24/20/67/320242067.db2.gz ZDZLMTVACMZKPV-CWRNSKLLSA-N 0 3 336.388 1.691 20 5 EDBDHN CNC(=O)CC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286309982 443688313 /nfs/dbraw/zinc/68/83/13/443688313.db2.gz DXBUEVQFWCIINV-ZDUSSCGKSA-N 0 3 336.392 1.137 20 5 EDBDHN CN(CCO)C1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000288164542 443791305 /nfs/dbraw/zinc/79/13/05/443791305.db2.gz ZTXOTNNYGDIJDV-UHFFFAOYSA-N 0 3 347.375 1.137 20 5 EDBDHN Cc1c(C(=O)NC[C@H](C)N(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000298346849 443751394 /nfs/dbraw/zinc/75/13/94/443751394.db2.gz KLJMGFWWKXDABA-JTQLQIEISA-N 0 3 332.364 1.164 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CC[C@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000285114988 443861485 /nfs/dbraw/zinc/86/14/85/443861485.db2.gz RDWZILLGDRBVMS-DGCLKSJQSA-N 0 3 334.376 1.615 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000292912707 443877312 /nfs/dbraw/zinc/87/73/12/443877312.db2.gz HOJWRBKMQATGNM-CVEARBPZSA-N 0 3 347.375 1.049 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CCC(=O)N(C)C1 ZINC000571384857 321385410 /nfs/dbraw/zinc/38/54/10/321385410.db2.gz SFVFGEBWELFQRG-AWEZNQCLSA-N 0 3 348.403 1.784 20 5 EDBDHN Cn1ccnc1[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587366 321393376 /nfs/dbraw/zinc/39/33/76/321393376.db2.gz PUFZIOCEXKEDDB-ZIAGYGMSSA-N 0 3 346.387 1.558 20 5 EDBDHN COc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1O ZINC000574444831 321483990 /nfs/dbraw/zinc/48/39/90/321483990.db2.gz DKCBLDPDYZDOSZ-CYBMUJFWSA-N 0 3 348.355 1.839 20 5 EDBDHN CC(C)N1C[C@@H](C)[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301616777 444182503 /nfs/dbraw/zinc/18/25/03/444182503.db2.gz WATHWWQRBVNWGA-VXGBXAGGSA-N 0 3 331.376 1.743 20 5 EDBDHN CCN1CCN([C@@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301851588 444193876 /nfs/dbraw/zinc/19/38/76/444193876.db2.gz XCECVLWWJBFROG-LBPRGKRZSA-N 0 3 333.396 1.075 20 5 EDBDHN Cn1cc(C[C@@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000305170495 444262160 /nfs/dbraw/zinc/26/21/60/444262160.db2.gz JLHTZKYTLUQJKJ-SUMWQHHRSA-N 0 3 330.388 1.926 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[NH2+]CC1 ZINC000318930886 444321813 /nfs/dbraw/zinc/32/18/13/444321813.db2.gz PRHZXSAFUJJGQB-JTQLQIEISA-N 0 3 329.378 1.024 20 5 EDBDHN C[C@@H]1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000305744922 444277037 /nfs/dbraw/zinc/27/70/37/444277037.db2.gz UWTOXJCMOHORES-DOMZBBRYSA-N 0 3 349.387 1.986 20 5 EDBDHN N[C@@H](CC(F)F)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000323968454 444348757 /nfs/dbraw/zinc/34/87/57/444348757.db2.gz VOXRUQOCLHSZIU-JTQLQIEISA-N 0 3 328.319 1.226 20 5 EDBDHN CC(C)(C(=O)NCCCN1CCC(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000340506394 444415798 /nfs/dbraw/zinc/41/57/98/444415798.db2.gz AIJIOAIIPGTBPM-UHFFFAOYSA-N 0 3 349.431 1.835 20 5 EDBDHN CN(C)CCN1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000298138186 444427347 /nfs/dbraw/zinc/42/73/47/444427347.db2.gz ZLOXTRPSCVGDPW-UHFFFAOYSA-N 0 3 345.403 1.396 20 5 EDBDHN COc1ccc(NC(=O)CNC(C)(C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC000340732468 444492696 /nfs/dbraw/zinc/49/26/96/444492696.db2.gz AJDWFNVVYCHABP-UHFFFAOYSA-N 0 3 325.365 1.681 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](n2cccn2)C1 ZINC000342384614 444668009 /nfs/dbraw/zinc/66/80/09/444668009.db2.gz VGWURVPJUSNRRQ-CABCVRRESA-N 0 3 346.387 1.868 20 5 EDBDHN C[C@@H](N[C@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338589684 444760683 /nfs/dbraw/zinc/76/06/83/444760683.db2.gz BECFGHRQXSLCKB-MFKMUULPSA-N 0 3 334.376 1.569 20 5 EDBDHN COC(=O)COc1ccc(CNCCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000341334559 444783078 /nfs/dbraw/zinc/78/30/78/444783078.db2.gz KGMCOPDJIIEDEC-UHFFFAOYSA-N 0 3 338.360 1.541 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2Cn2cc(C3CC3)nn2)c1 ZINC000344313474 444895490 /nfs/dbraw/zinc/89/54/90/444895490.db2.gz PNSOABVIYLYMOY-ZDUSSCGKSA-N 0 3 331.380 1.425 20 5 EDBDHN C[C@H](NC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000341584233 444907672 /nfs/dbraw/zinc/90/76/72/444907672.db2.gz INNRCUOYHXGULD-VWPFQQQWSA-N 0 3 337.420 1.716 20 5 EDBDHN CCN1CCC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330451844 444986652 /nfs/dbraw/zinc/98/66/52/444986652.db2.gz URAMBVKQRHPRMJ-AWEZNQCLSA-N 0 3 341.433 1.746 20 5 EDBDHN CCN1C[C@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330596123 445053458 /nfs/dbraw/zinc/05/34/58/445053458.db2.gz XYMKZEFTDIUXBM-KGLIPLIRSA-N 0 3 334.420 1.972 20 5 EDBDHN CSc1ccc(C(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000341866313 445041158 /nfs/dbraw/zinc/04/11/58/445041158.db2.gz BRWKLKUGGHISKN-UHFFFAOYSA-N 0 3 332.385 1.976 20 5 EDBDHN CN(C)CC1(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000341994896 445113269 /nfs/dbraw/zinc/11/32/69/445113269.db2.gz MTLMEPOYWXYAIO-UHFFFAOYSA-N 0 3 349.387 1.509 20 5 EDBDHN COc1cc(CN(C)C[C@@H]2C[C@@H](OC)CN2C)c([N+](=O)[O-])cc1F ZINC000345144555 445169270 /nfs/dbraw/zinc/16/92/70/445169270.db2.gz FXBGXXIABVNZMS-QWHCGFSZSA-N 0 3 341.383 1.893 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000347523208 445240942 /nfs/dbraw/zinc/24/09/42/445240942.db2.gz NIZAGXVLEBCWLQ-UHFFFAOYSA-N 0 3 347.375 1.658 20 5 EDBDHN COC(=O)COc1ccc(CN(C)[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348548851 445323009 /nfs/dbraw/zinc/32/30/09/445323009.db2.gz HBIOKXNBBONQEL-OCCSQVGLSA-N 0 3 338.360 1.492 20 5 EDBDHN COc1cc(CNC[C@]2(OC)CCOC2)c([N+](=O)[O-])cc1OC ZINC000359662119 445363629 /nfs/dbraw/zinc/36/36/29/445363629.db2.gz DPQXBZZWMXBSEA-OAHLLOKOSA-N 0 3 326.349 1.507 20 5 EDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000362750434 445532028 /nfs/dbraw/zinc/53/20/28/445532028.db2.gz QMNRLMQAVZXIDT-OAHLLOKOSA-N 0 3 334.376 1.970 20 5 EDBDHN COc1c(C(=O)NCCCN2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000356171303 445660784 /nfs/dbraw/zinc/66/07/84/445660784.db2.gz RDMDKZCBSXUSBI-UHFFFAOYSA-N 0 3 337.376 1.180 20 5 EDBDHN Cc1ccnc(NC[C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000363135493 445691873 /nfs/dbraw/zinc/69/18/73/445691873.db2.gz VNKJRDPKDZXSAR-CQSZACIVSA-N 0 3 330.392 1.929 20 5 EDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCN3CCC[C@@H]3C2)c1 ZINC000366709523 446318031 /nfs/dbraw/zinc/31/80/31/446318031.db2.gz KMSPQTZHUWNSKY-OAHLLOKOSA-N 0 3 339.417 1.595 20 5 EDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)C1 ZINC000374806496 446401480 /nfs/dbraw/zinc/40/14/80/446401480.db2.gz MGEFSZBWGNVZPT-CYBMUJFWSA-N 0 3 347.419 1.029 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCO[C@@H]2CCC[C@H]21 ZINC000366929921 446414916 /nfs/dbraw/zinc/41/49/16/446414916.db2.gz NIRUPWMPNPPDEH-IIAWOOMASA-N 0 3 336.388 1.978 20 5 EDBDHN CCN(CC)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000411193242 446424386 /nfs/dbraw/zinc/42/43/86/446424386.db2.gz FBJXLRYWHIBYEG-LBPRGKRZSA-N 0 3 336.392 1.688 20 5 EDBDHN CCCc1n[nH]c(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000370880555 446496674 /nfs/dbraw/zinc/49/66/74/446496674.db2.gz GRZVJHQBYXDMBS-OLZOCXBDSA-N 0 3 335.408 1.969 20 5 EDBDHN CCCc1[nH]nc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000370880555 446496675 /nfs/dbraw/zinc/49/66/75/446496675.db2.gz GRZVJHQBYXDMBS-OLZOCXBDSA-N 0 3 335.408 1.969 20 5 EDBDHN Cc1ccnc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000367199828 446522134 /nfs/dbraw/zinc/52/21/34/446522134.db2.gz FJNKSCOQKNSVQT-LSDHHAIUSA-N 0 3 333.436 1.760 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC[C@H](C)C1 ZINC000371110514 446634919 /nfs/dbraw/zinc/63/49/19/446634919.db2.gz ZDXBFHOZXONVCH-GFCCVEGCSA-N 0 3 337.376 1.900 20 5 EDBDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375429310 446792687 /nfs/dbraw/zinc/79/26/87/446792687.db2.gz QIKCBNMHOUDASD-PBHICJAKSA-N 0 3 331.372 1.641 20 5 EDBDHN Cc1c(NC(=O)N2CCCN([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000376957122 446821139 /nfs/dbraw/zinc/82/11/39/446821139.db2.gz IUAFKCPGHYEYJS-GFCCVEGCSA-N 0 3 336.392 1.824 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000425048856 447003681 /nfs/dbraw/zinc/00/36/81/447003681.db2.gz OPVFZQVCBVKKLN-SMDDNHRTSA-N 0 3 347.371 1.532 20 5 EDBDHN Cc1cc(NC(=O)NC[C@@H]2CCCCN2CCO)ccc1[N+](=O)[O-] ZINC000455081674 447043367 /nfs/dbraw/zinc/04/33/67/447043367.db2.gz HLVWSKXIMWJNHH-AWEZNQCLSA-N 0 3 336.392 1.872 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000421768397 447244337 /nfs/dbraw/zinc/24/43/37/447244337.db2.gz NWSHKCTVEHQQIM-UHFFFAOYSA-N 0 3 348.447 1.921 20 5 EDBDHN COc1ccc(OCCN2CC[C@H]3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000377665836 447282200 /nfs/dbraw/zinc/28/22/00/447282200.db2.gz BOBSNPKQUUEIMS-DGCLKSJQSA-N 0 3 335.360 1.050 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000569986938 447931296 /nfs/dbraw/zinc/93/12/96/447931296.db2.gz KYHGHXPCEXYCIR-NSHDSACASA-N 0 3 333.392 1.518 20 5 EDBDHN COc1ccc(CC(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000554141783 448014300 /nfs/dbraw/zinc/01/43/00/448014300.db2.gz JZYSMCISZNPWQS-KRWDZBQOSA-N 0 3 333.388 1.700 20 5 EDBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525183004 447974073 /nfs/dbraw/zinc/97/40/73/447974073.db2.gz HUMSWULFIKYGLM-GFCCVEGCSA-N 0 3 342.421 1.485 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC000591985455 448610674 /nfs/dbraw/zinc/61/06/74/448610674.db2.gz NYEROCOHKSMLTG-GFCCVEGCSA-N 0 3 343.387 1.699 20 5 EDBDHN CCOC(=O)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000567011879 448599693 /nfs/dbraw/zinc/59/96/93/448599693.db2.gz JQRQCVPUTKACTA-OAHLLOKOSA-N 0 3 348.359 1.119 20 5 EDBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000592431290 448833422 /nfs/dbraw/zinc/83/34/22/448833422.db2.gz QHGHNNQARJRLHM-PRHODGIISA-N 0 3 335.282 1.825 20 5 EDBDHN COc1ccc(CNC(=O)C2(N)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000592504615 448868270 /nfs/dbraw/zinc/86/82/70/448868270.db2.gz LCYVTTNSVILGNT-UHFFFAOYSA-N 0 3 341.367 1.716 20 5 EDBDHN COCCN(C)C[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568649884 448902030 /nfs/dbraw/zinc/90/20/30/448902030.db2.gz PGHDOTMOEFABBM-CYBMUJFWSA-N 0 3 325.409 1.359 20 5 EDBDHN CNc1nccc(C(=O)N(C)C2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000579969493 448925645 /nfs/dbraw/zinc/92/56/45/448925645.db2.gz IZSWFYWPPZLNAT-UHFFFAOYSA-N 0 3 335.408 1.976 20 5 EDBDHN NCc1cn([C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000575058543 449024582 /nfs/dbraw/zinc/02/45/82/449024582.db2.gz HPNYKQXOVLSRCK-CQSZACIVSA-N 0 3 330.348 1.122 20 5 EDBDHN C[C@@H]1CCCCN1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000603930348 449161809 /nfs/dbraw/zinc/16/18/09/449161809.db2.gz RFGCTIDWMUHAMU-LLVKDONJSA-N 0 3 342.421 1.529 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCCN(CCCO)C1 ZINC000593732671 449168393 /nfs/dbraw/zinc/16/83/93/449168393.db2.gz QQXOYCJBUYOORZ-CQSZACIVSA-N 0 3 339.367 1.239 20 5 EDBDHN CC(C)N1CCN(C2CCN(c3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000611166096 449195804 /nfs/dbraw/zinc/19/58/04/449195804.db2.gz APOHXLXZOOQYCY-UHFFFAOYSA-N 0 3 336.440 1.323 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000590564024 449193344 /nfs/dbraw/zinc/19/33/44/449193344.db2.gz BXUOFNDZJLCSNY-CVEARBPZSA-N 0 3 333.388 1.838 20 5 EDBDHN COc1ccc(NC(=O)CCN2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])c1 ZINC000595906979 449246096 /nfs/dbraw/zinc/24/60/96/449246096.db2.gz PRHVGOGQRQOBQG-VXGBXAGGSA-N 0 3 340.355 1.303 20 5 EDBDHN NCc1cn([C@@H]2CCCN(c3c(Cl)cncc3[N+](=O)[O-])C2)nn1 ZINC000596013194 449315740 /nfs/dbraw/zinc/31/57/40/449315740.db2.gz DGELAGOPUIHNTI-SNVBAGLBSA-N 0 3 337.771 1.535 20 5 EDBDHN COc1cc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611515875 449317989 /nfs/dbraw/zinc/31/79/89/449317989.db2.gz PSSNLKRJAWIEIX-GDBMZVCRSA-N 0 3 335.404 1.634 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594074736 449347270 /nfs/dbraw/zinc/34/72/70/449347270.db2.gz OLPLGPSZJUFXKO-QWHCGFSZSA-N 0 3 334.376 1.494 20 5 EDBDHN O=c1[nH]cnc2cc(NCCCN3CCC(O)CC3)c([N+](=O)[O-])cc12 ZINC000596084512 449354467 /nfs/dbraw/zinc/35/44/67/449354467.db2.gz ANDAMQSUEBTCKK-UHFFFAOYSA-N 0 3 347.375 1.502 20 5 EDBDHN CCCN1CC[C@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598342580 449357227 /nfs/dbraw/zinc/35/72/27/449357227.db2.gz LGGKHQCRUVDBKO-AWEZNQCLSA-N 0 3 348.403 1.234 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000602117067 449358319 /nfs/dbraw/zinc/35/83/19/449358319.db2.gz OBTWXCRWTVJNGY-DUVNUKRYSA-N 0 3 333.388 1.944 20 5 EDBDHN CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCN(C)C1 ZINC000596177160 449398266 /nfs/dbraw/zinc/39/82/66/449398266.db2.gz APNZBSUOVZCFLB-AWEZNQCLSA-N 0 3 336.392 1.839 20 5 EDBDHN CC(C)(C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)n1cc([N+](=O)[O-])cn1 ZINC000594195132 449387564 /nfs/dbraw/zinc/38/75/64/449387564.db2.gz CFMUTZKDLULGAQ-KGLIPLIRSA-N 0 3 335.408 1.660 20 5 EDBDHN COC(=O)c1ccnc(N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598597277 449483565 /nfs/dbraw/zinc/48/35/65/449483565.db2.gz YZMKMMKBPJCNPQ-GFCCVEGCSA-N 0 3 334.376 1.841 20 5 EDBDHN O=C1[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000600761266 449537258 /nfs/dbraw/zinc/53/72/58/449537258.db2.gz ODENTGIWKIFQJZ-GDBMZVCRSA-N 0 3 349.387 1.078 20 5 EDBDHN CC1(C)CC[C@H](CO)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598647031 449517268 /nfs/dbraw/zinc/51/72/68/449517268.db2.gz JQURRXWSILVFCG-HUUCEWRRSA-N 0 3 338.404 1.817 20 5 EDBDHN CCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000598910269 449642927 /nfs/dbraw/zinc/64/29/27/449642927.db2.gz XCQULDBRUUGGDK-AWEZNQCLSA-N 0 3 349.391 1.269 20 5 EDBDHN O=[N+]([O-])c1ccc2nccc(NCCN3C[C@H]4CC[C@@H](C3)O4)c2c1 ZINC000601172232 449732499 /nfs/dbraw/zinc/73/24/99/449732499.db2.gz YGWJVHWUIFPWAI-OKILXGFUSA-N 0 3 328.372 1.840 20 5 EDBDHN O=C1CC[C@@H](N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000602681093 449747328 /nfs/dbraw/zinc/74/73/28/449747328.db2.gz JLUUIICVYRIPCN-MRXNPFEDSA-N 0 3 346.431 1.424 20 5 EDBDHN CCn1nccc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602713712 449764546 /nfs/dbraw/zinc/76/45/46/449764546.db2.gz ADTDORVVNSLHMZ-UHFFFAOYSA-N 0 3 330.392 1.965 20 5 EDBDHN COC(=O)c1cc(C)nc(NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599163656 449772131 /nfs/dbraw/zinc/77/21/31/449772131.db2.gz GKTXSNLEUIVEPC-ZDUSSCGKSA-N 0 3 348.403 2.514 20 5 EDBDHN CC[C@@H]1C[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000594916756 449805975 /nfs/dbraw/zinc/80/59/75/449805975.db2.gz BRVHTUPPKWHUGE-DGCLKSJQSA-N 0 3 343.405 1.030 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C2CCOCC2)C[C@H]1C ZINC000602823043 449835311 /nfs/dbraw/zinc/83/53/11/449835311.db2.gz VCNBZZYGLPLSSD-CYBMUJFWSA-N 0 3 337.424 1.285 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N(C)C)[C@@H]1C ZINC000601421653 449938281 /nfs/dbraw/zinc/93/82/81/449938281.db2.gz JABCNIGTDHDDEQ-FZMZJTMJSA-N 0 3 341.433 1.870 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C)(N2CCOCC2)CC1 ZINC000602915660 449918408 /nfs/dbraw/zinc/91/84/08/449918408.db2.gz NYMYGNUAZFABEH-UHFFFAOYSA-N 0 3 337.424 1.286 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595232841 449963221 /nfs/dbraw/zinc/96/32/21/449963221.db2.gz BHNRQRDXFOENNH-UHFFFAOYSA-N 0 3 346.347 1.488 20 5 EDBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595261367 449984061 /nfs/dbraw/zinc/98/40/61/449984061.db2.gz YAFQXTMSNIAARG-FBIMIBRVSA-N 0 3 345.758 1.913 20 5 EDBDHN COc1ccc(CNC(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000609399554 450024364 /nfs/dbraw/zinc/02/43/64/450024364.db2.gz FXCMIOIOTAZNBE-CYBMUJFWSA-N 0 3 336.392 1.744 20 5 EDBDHN C[C@@H]1CN(CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000595374607 450087449 /nfs/dbraw/zinc/08/74/49/450087449.db2.gz HPTRFVZWKNEWCQ-QLFBSQMISA-N 0 3 349.435 1.585 20 5 EDBDHN COc1ccc([C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cn1 ZINC000599695534 450160402 /nfs/dbraw/zinc/16/04/02/450160402.db2.gz DAPFRPMNDCEACR-GDBMZVCRSA-N 0 3 347.375 1.297 20 5 EDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000610264720 450174793 /nfs/dbraw/zinc/17/47/93/450174793.db2.gz MJLGODPNAMYBEY-NWDGAFQWSA-N 0 3 342.421 1.483 20 5 EDBDHN C[C@@H](O)CN(Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610369799 450202541 /nfs/dbraw/zinc/20/25/41/450202541.db2.gz DSBQYKPVONTNDB-CJNGLKHVSA-N 0 3 334.376 1.035 20 5 EDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(CC2CC2)C1 ZINC000610354143 450199061 /nfs/dbraw/zinc/19/90/61/450199061.db2.gz ZDZKJGLCBKCWBY-OAHLLOKOSA-N 0 3 332.404 1.921 20 5 EDBDHN COC1(CO)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000618551361 450240795 /nfs/dbraw/zinc/24/07/95/450240795.db2.gz XRUSTBLQNLZZLS-UHFFFAOYSA-N 0 3 337.376 1.397 20 5 EDBDHN CC(C)c1n[nH]c(C(=O)N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000610916855 450379789 /nfs/dbraw/zinc/37/97/89/450379789.db2.gz PVYXRBBSGMGUQE-UHFFFAOYSA-N 0 3 344.375 1.799 20 5 EDBDHN CC(C)c1[nH]nc(C(=O)N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000610916855 450379794 /nfs/dbraw/zinc/37/97/94/450379794.db2.gz PVYXRBBSGMGUQE-UHFFFAOYSA-N 0 3 344.375 1.799 20 5 EDBDHN COc1cc(CCNC(=O)[C@@H]2CCCCN2)c([N+](=O)[O-])cc1OC ZINC000178348800 533765312 /nfs/dbraw/zinc/76/53/12/533765312.db2.gz QBZPUIMIWLBECS-LBPRGKRZSA-N 0 3 337.376 1.413 20 5 EDBDHN CN(C)Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000124378700 536004387 /nfs/dbraw/zinc/00/43/87/536004387.db2.gz UVGZHZLKCBBTHS-UHFFFAOYSA-N 0 3 344.371 1.135 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000353187278 536477344 /nfs/dbraw/zinc/47/73/44/536477344.db2.gz BGTIJOJZACFJAH-UONOGXRCSA-N 0 3 338.360 1.396 20 5 EDBDHN Cc1nn(CCC(=O)N[C@H](CN(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000726628737 578352276 /nfs/dbraw/zinc/35/22/76/578352276.db2.gz LWNBATVMFPSZEL-CYBMUJFWSA-N 0 3 325.413 1.501 20 5 EDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729496370 578577483 /nfs/dbraw/zinc/57/74/83/578577483.db2.gz ACSDZFGAYZVTBH-CABCVRRESA-N 0 3 334.376 1.257 20 5 EDBDHN CC(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735874401 578931483 /nfs/dbraw/zinc/93/14/83/578931483.db2.gz CWCPFLBUCJDZHB-JTQLQIEISA-N 0 3 332.368 1.312 20 5 EDBDHN CC(C)[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735874401 578931484 /nfs/dbraw/zinc/93/14/84/578931484.db2.gz CWCPFLBUCJDZHB-JTQLQIEISA-N 0 3 332.368 1.312 20 5 EDBDHN CC(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735874401 578931485 /nfs/dbraw/zinc/93/14/85/578931485.db2.gz CWCPFLBUCJDZHB-JTQLQIEISA-N 0 3 332.368 1.312 20 5 EDBDHN CC(C)[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735874401 578931486 /nfs/dbraw/zinc/93/14/86/578931486.db2.gz CWCPFLBUCJDZHB-JTQLQIEISA-N 0 3 332.368 1.312 20 5 EDBDHN CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736565919 579000413 /nfs/dbraw/zinc/00/04/13/579000413.db2.gz UKXSMRQJNBEOQS-UHFFFAOYSA-N 0 3 332.368 1.314 20 5 EDBDHN CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736565919 579000414 /nfs/dbraw/zinc/00/04/14/579000414.db2.gz UKXSMRQJNBEOQS-UHFFFAOYSA-N 0 3 332.368 1.314 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000758331013 579980047 /nfs/dbraw/zinc/98/00/47/579980047.db2.gz LWCVVIGZOMLIDC-XHDPSFHLSA-N 0 3 343.387 1.543 20 5 EDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000758773445 579991540 /nfs/dbraw/zinc/99/15/40/579991540.db2.gz YSQJSUUAOFRQRC-HZPDHXFCSA-N 0 3 348.403 1.300 20 5 EDBDHN C[NH+]1CCC(O[N-]C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000773540237 580340223 /nfs/dbraw/zinc/34/02/23/580340223.db2.gz GPQXRSNZXWLBIU-UHFFFAOYSA-N 0 3 327.768 1.933 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000781424830 580549291 /nfs/dbraw/zinc/54/92/91/580549291.db2.gz ZLKQNNGYGYYSPN-YYIAUSFCSA-N 0 3 336.388 1.944 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1C ZINC000781989266 580562739 /nfs/dbraw/zinc/56/27/39/580562739.db2.gz FZINRLKRJFMQSB-HSMVNMDESA-N 0 3 346.387 1.687 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000892202553 590862916 /nfs/dbraw/zinc/86/29/16/590862916.db2.gz NCFQUIMVOLKQQK-GJZGRUSLSA-N 0 3 348.403 1.982 20 5 EDBDHN COc1ccc(CNC(=O)NCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000892211724 590865225 /nfs/dbraw/zinc/86/52/25/590865225.db2.gz MBEDCYAVTSUCRF-GFCCVEGCSA-N 0 3 336.392 1.744 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCN1CC[C@@H](O)C1 ZINC000894781175 591416764 /nfs/dbraw/zinc/41/67/64/591416764.db2.gz NABMADVGEWTPCD-LLVKDONJSA-N 0 3 336.779 1.697 20 5 EDBDHN CN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000899734278 591929917 /nfs/dbraw/zinc/92/99/17/591929917.db2.gz YQYOFXCUVKPYMM-UHFFFAOYSA-N 0 3 346.181 1.011 20 5 EDBDHN CCN1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000902236662 591952573 /nfs/dbraw/zinc/95/25/73/591952573.db2.gz UQXDYFDGDOHEKA-UHFFFAOYSA-N 0 3 337.376 1.583 20 5 EDBDHN COC[C@@H]1CNCCN1c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000900448597 592020822 /nfs/dbraw/zinc/02/08/22/592020822.db2.gz AEFLVUCXDPRCGS-HNNXBMFYSA-N 0 3 343.387 1.785 20 5 EDBDHN CNCCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000903590319 592234702 /nfs/dbraw/zinc/23/47/02/592234702.db2.gz UUKKWEXNIXVTCV-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN CNCCN(C(C)C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000903591055 592235289 /nfs/dbraw/zinc/23/52/89/592235289.db2.gz HGKNNYARSFRCDW-UHFFFAOYSA-N 0 3 333.385 1.661 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@@]1(O)CCCN(C)C1 ZINC000908124057 592312444 /nfs/dbraw/zinc/31/24/44/592312444.db2.gz IJPAQMURKXIUDV-KRWDZBQOSA-N 0 3 335.404 1.443 20 5 EDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CNCCN1C ZINC000912151349 593066146 /nfs/dbraw/zinc/06/61/46/593066146.db2.gz UDIBSDIKINZXJS-ZDUSSCGKSA-N 0 3 326.784 1.110 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]2C1 ZINC000812324768 593496666 /nfs/dbraw/zinc/49/66/66/593496666.db2.gz YVMSTGRUCYJFCH-NEPJUHHUSA-N 0 3 347.371 1.390 20 5 EDBDHN COc1ccc(C)cc1N1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813106227 593517714 /nfs/dbraw/zinc/51/77/14/593517714.db2.gz AZFOESFZKJCWMA-VXGBXAGGSA-N 0 3 336.344 1.565 20 5 EDBDHN CC(COC(=O)[C@H]1CCCCN1C(=O)c1cccs1)[N+](=O)[O-] ZINC000813111383 593518396 /nfs/dbraw/zinc/51/83/96/593518396.db2.gz SJQQMHTWIUDIPD-WDEREUQCSA-N 0 3 326.374 1.951 20 5 EDBDHN CC(C)S(=O)(=O)c1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112212 593518419 /nfs/dbraw/zinc/51/84/19/593518419.db2.gz NZGHQXBCSOHSJM-LLVKDONJSA-N 0 3 329.374 1.620 20 5 EDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)[N+](=O)[O-] ZINC000813115751 593519145 /nfs/dbraw/zinc/51/91/45/593519145.db2.gz ZDSKHKFLIDUPMZ-CMPLNLGQSA-N 0 3 326.374 1.490 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000816955133 593563559 /nfs/dbraw/zinc/56/35/59/593563559.db2.gz UVNFTSOKMABYMH-GUYCJALGSA-N 0 3 344.415 1.971 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000819332358 593750929 /nfs/dbraw/zinc/75/09/29/593750929.db2.gz BTBHCRJNFABDEU-NXOAAHMSSA-N 0 3 346.387 1.833 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000830589601 594430434 /nfs/dbraw/zinc/43/04/34/594430434.db2.gz XATUBZBEJABFGA-GFCCVEGCSA-N 0 3 325.340 1.311 20 5 EDBDHN CCC(=O)c1ccc(N2CN(CCN(C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000826685684 594555442 /nfs/dbraw/zinc/55/54/42/594555442.db2.gz MKIQBKPXZFSYNT-LBPRGKRZSA-N 0 3 348.403 1.744 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000826722644 594564134 /nfs/dbraw/zinc/56/41/34/594564134.db2.gz UTTRVNFTOIMQBD-LLVKDONJSA-N 0 3 338.383 1.872 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1N(C)C ZINC000831299779 594603007 /nfs/dbraw/zinc/60/30/07/594603007.db2.gz MXMFQXCGVSFSID-CHWSQXEVSA-N 0 3 327.381 1.852 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1N(C)C ZINC000831299783 594603060 /nfs/dbraw/zinc/60/30/60/594603060.db2.gz MXMFQXCGVSFSID-QWHCGFSZSA-N 0 3 327.381 1.852 20 5 EDBDHN Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H](N)c3ccccc3)n2)n1C ZINC000843221342 595042302 /nfs/dbraw/zinc/04/23/02/595042302.db2.gz HXSBYXORPRDOIU-NSHDSACASA-N 0 3 328.332 1.929 20 5 EDBDHN C[C@]1(F)CNCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843388436 595097060 /nfs/dbraw/zinc/09/70/60/595097060.db2.gz ZUUGKUYPZTUJRW-AWEZNQCLSA-N 0 3 344.774 1.820 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000842480064 595116317 /nfs/dbraw/zinc/11/63/17/595116317.db2.gz OKAZUDKWNAFUPN-VHSXEESVSA-N 0 3 347.824 1.962 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H](O)c2ccccc2Cl)c1 ZINC000843066276 595278942 /nfs/dbraw/zinc/27/89/42/595278942.db2.gz QFONOSKVCZZLIS-SMDDNHRTSA-N 0 3 340.767 1.129 20 5 EDBDHN CN(C)CCn1cc(CNC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000849136515 595485369 /nfs/dbraw/zinc/48/53/69/595485369.db2.gz HIJGOBWYSROYOL-UHFFFAOYSA-N 0 3 333.352 1.070 20 5 EDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000855166802 595617857 /nfs/dbraw/zinc/61/78/57/595617857.db2.gz QCVBWYDWJBPZEO-CYBMUJFWSA-N 0 3 349.387 1.775 20 5 EDBDHN NCC12CC(C1)CN2C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000850849276 595653446 /nfs/dbraw/zinc/65/34/46/595653446.db2.gz WEWPDIOGQHVYIX-UHFFFAOYSA-N 0 3 338.751 1.136 20 5 EDBDHN O=[N+]([O-])c1cn(CN2CCN(CC3CC3)CC2)nc1-c1ccccn1 ZINC000853491130 595767324 /nfs/dbraw/zinc/76/73/24/595767324.db2.gz MFNAJJCBTPYDQS-UHFFFAOYSA-N 0 3 342.403 1.838 20 5 EDBDHN CC(C)NC(=O)[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852697747 596229060 /nfs/dbraw/zinc/22/90/60/596229060.db2.gz CJFPIVVVEPNIJE-GDBMZVCRSA-N 0 3 335.404 1.865 20 5 EDBDHN CC[C@H](NC(C)=O)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870454144 596249123 /nfs/dbraw/zinc/24/91/23/596249123.db2.gz HXRRTEUEUPQWRB-BIGNPOOSSA-N 0 3 326.324 1.990 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCN1CCN(C)CC1 ZINC000873833719 597410575 /nfs/dbraw/zinc/41/05/75/597410575.db2.gz WIEJHHAFWKMJRA-UHFFFAOYSA-N 0 3 334.420 1.579 20 5 EDBDHN CN1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000877207118 597462796 /nfs/dbraw/zinc/46/27/96/597462796.db2.gz ZNEDYSBGDUSEFX-KRWDZBQOSA-N 0 3 334.420 1.711 20 5 EDBDHN C[NH+](C)C1CC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000916956866 696852687 /nfs/dbraw/zinc/85/26/87/696852687.db2.gz YXUIYYKCXIEDCK-UHFFFAOYSA-N 0 3 333.797 1.619 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)c2ccco2)CC1 ZINC001034581189 710252373 /nfs/dbraw/zinc/25/23/73/710252373.db2.gz VUYDUDIGIATQOS-HAQNSBGRSA-N 0 3 347.375 1.752 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000561026469 306281513 /nfs/dbraw/zinc/28/15/13/306281513.db2.gz FGFKDVHDBFYFMV-LBPRGKRZSA-N 0 3 337.380 1.100 20 5 EDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000067398276 215140932 /nfs/dbraw/zinc/14/09/32/215140932.db2.gz BPFZDCTZXKKHHC-QWHCGFSZSA-N 0 3 348.403 1.770 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000068132259 215280435 /nfs/dbraw/zinc/28/04/35/215280435.db2.gz NXYNLOYUZHJURB-CQSZACIVSA-N 0 3 348.403 1.233 20 5 EDBDHN COCCN(C)C[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478458 306299764 /nfs/dbraw/zinc/29/97/64/306299764.db2.gz HNJWCJDCYWGNJZ-HIFRSBDPSA-N 0 3 325.409 1.493 20 5 EDBDHN C[C@H](C[S@@](C)=O)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184269750 235351894 /nfs/dbraw/zinc/35/18/94/235351894.db2.gz FAKAQMLMXKJMOP-QVQLBTGDSA-N 0 3 336.417 1.852 20 5 EDBDHN CCC[NH+]1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000055221483 138146388 /nfs/dbraw/zinc/14/63/88/138146388.db2.gz ZGYILXWLRLVWOQ-UHFFFAOYSA-N 0 3 345.396 1.887 20 5 EDBDHN CN(C)C1(CN(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC1 ZINC000188026992 236390292 /nfs/dbraw/zinc/39/02/92/236390292.db2.gz VIXVNHKECPNGLY-UHFFFAOYSA-N 0 3 335.360 1.880 20 5 EDBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130662166 223167863 /nfs/dbraw/zinc/16/78/63/223167863.db2.gz IHOOWMOXOZYJPV-KGLIPLIRSA-N 0 3 346.387 1.118 20 5 EDBDHN NCC(=O)N1CCC[C@@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000414695169 304128626 /nfs/dbraw/zinc/12/86/26/304128626.db2.gz OGROHNLDCGMFGJ-ZDUSSCGKSA-N 0 3 332.404 1.150 20 5 EDBDHN COc1ccc(-c2ccc(CNC[C@@H]3CNCCO3)o2)c([N+](=O)[O-])c1 ZINC000415098594 304159567 /nfs/dbraw/zinc/15/95/67/304159567.db2.gz WEQIVIAPNFASOE-AWEZNQCLSA-N 0 3 347.371 1.941 20 5 EDBDHN CN(C)CCNC(=O)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000195519290 139019404 /nfs/dbraw/zinc/01/94/04/139019404.db2.gz RINZJLRNKYHLTN-UHFFFAOYSA-N 0 3 340.449 1.546 20 5 EDBDHN CC(C)C[C@H](CN)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000236599350 139026756 /nfs/dbraw/zinc/02/67/56/139026756.db2.gz NLKYKNATIUQMND-LLVKDONJSA-N 0 3 343.405 1.102 20 5 EDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000247449870 139148914 /nfs/dbraw/zinc/14/89/14/139148914.db2.gz QDLVSVUTAWZGEI-IINYFYTJSA-N 0 3 336.348 1.915 20 5 EDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249124609 139186661 /nfs/dbraw/zinc/18/66/61/139186661.db2.gz CFZALFPQYMZZHX-BXUZGUMPSA-N 0 3 334.376 1.332 20 5 EDBDHN N[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000261747522 139222695 /nfs/dbraw/zinc/22/26/95/139222695.db2.gz KZQBNPMEAWPCKP-ZDUSSCGKSA-N 0 3 327.768 1.618 20 5 EDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000417222084 251148375 /nfs/dbraw/zinc/14/83/75/251148375.db2.gz DZGCEWFELRBWCT-LBPRGKRZSA-N 0 3 328.319 1.434 20 5 EDBDHN NC(=O)N1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153607205 224130132 /nfs/dbraw/zinc/13/01/32/224130132.db2.gz WLHJGSIRNXSYLD-UHFFFAOYSA-N 0 3 335.364 1.010 20 5 EDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(CCCO)C1 ZINC000493498923 255212297 /nfs/dbraw/zinc/21/22/97/255212297.db2.gz RZEOFBUHYOBFOG-MVGZEHJDSA-N 0 3 333.388 1.571 20 5 EDBDHN CO[C@H]1C[C@H](C(=O)OCC(C)[N+](=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000496060410 255348174 /nfs/dbraw/zinc/34/81/74/255348174.db2.gz IPTXIAHZIBGJSJ-GARJFASQSA-N 0 3 332.353 1.219 20 5 EDBDHN CCN1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000117256175 221039265 /nfs/dbraw/zinc/03/92/65/221039265.db2.gz FOIKOXRJGWODTB-UHFFFAOYSA-N 0 3 344.371 1.604 20 5 EDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000171584702 533299467 /nfs/dbraw/zinc/29/94/67/533299467.db2.gz OQMODFQLOSOLEM-IUODEOHRSA-N 0 3 346.387 1.020 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(O)CCN(C)CC1 ZINC000271388626 140289263 /nfs/dbraw/zinc/28/92/63/140289263.db2.gz LMYAZLLLECCXSQ-UHFFFAOYSA-N 0 3 335.404 1.707 20 5 EDBDHN C[C@@H](NC[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000271684718 140333524 /nfs/dbraw/zinc/33/35/24/140333524.db2.gz DGAAFTQOLWOVSG-CHWSQXEVSA-N 0 3 341.433 1.917 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000332680268 141228114 /nfs/dbraw/zinc/22/81/14/141228114.db2.gz SDKNNAJETXHXAI-QWHCGFSZSA-N 0 3 343.387 1.993 20 5 EDBDHN CCN1CC[C@@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339388259 142034201 /nfs/dbraw/zinc/03/42/01/142034201.db2.gz ZSABPQXBXHPFBU-SJORKVTESA-N 0 3 335.404 1.769 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)N(C)C1 ZINC000345133237 143055308 /nfs/dbraw/zinc/05/53/08/143055308.db2.gz OVEFVCWXDJSMQE-OLZOCXBDSA-N 0 3 333.392 1.622 20 5 EDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000345705737 143123519 /nfs/dbraw/zinc/12/35/19/143123519.db2.gz KXJHIPJROHUWLP-ZFWWWQNUSA-N 0 3 340.401 1.421 20 5 EDBDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000346493233 143210739 /nfs/dbraw/zinc/21/07/39/143210739.db2.gz SPOYWRYQWXIOIO-RISCZKNCSA-N 0 3 343.405 1.030 20 5 EDBDHN COc1cc(OCC(=O)N(C)[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000347006126 143270454 /nfs/dbraw/zinc/27/04/54/143270454.db2.gz MKBQWSNBZKIDAL-CYBMUJFWSA-N 0 3 349.387 1.677 20 5 EDBDHN CNc1c(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000347228956 143297557 /nfs/dbraw/zinc/29/75/57/143297557.db2.gz ZRYHCNNGLRHVKG-DGCLKSJQSA-N 0 3 336.392 1.164 20 5 EDBDHN CN(C)C1(CNC(=O)c2c([N+](=O)[O-])cnn2C)Cc2ccccc2C1 ZINC000347530381 143331897 /nfs/dbraw/zinc/33/18/97/143331897.db2.gz URDCKLAIPXYXSO-UHFFFAOYSA-N 0 3 343.387 1.157 20 5 EDBDHN CCN1C[C@H](C)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000347695842 143350899 /nfs/dbraw/zinc/35/08/99/143350899.db2.gz ALSHNXSPHWUGPT-KKUMJFAQSA-N 0 3 337.420 1.749 20 5 EDBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352574389 149070378 /nfs/dbraw/zinc/07/03/78/149070378.db2.gz GRTCWBULXXNCRR-LBPRGKRZSA-N 0 3 329.422 1.994 20 5 EDBDHN COC(=O)COc1ccc(CN(C)CC2CC(O)C2)cc1[N+](=O)[O-] ZINC000355045617 150089438 /nfs/dbraw/zinc/08/94/38/150089438.db2.gz AMQUMPPPSZGGFL-UHFFFAOYSA-N 0 3 338.360 1.349 20 5 EDBDHN O=C([C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)N1CCCCCC1 ZINC000370031146 155291027 /nfs/dbraw/zinc/29/10/27/155291027.db2.gz YQFKBJWWZQHOAV-OAHLLOKOSA-N 0 3 349.435 1.906 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000358038687 151243730 /nfs/dbraw/zinc/24/37/30/151243730.db2.gz BZSDJJCROJIQHB-MRXNPFEDSA-N 0 3 339.367 1.194 20 5 EDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCc1ncn(C)n1 ZINC000358371804 151353377 /nfs/dbraw/zinc/35/33/77/151353377.db2.gz AKNNMVCKMDZECV-NSHDSACASA-N 0 3 332.364 1.273 20 5 EDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(O)CCN(C)CC1 ZINC000361209578 152335661 /nfs/dbraw/zinc/33/56/61/152335661.db2.gz GTBHHPLAUWMMSU-OAHLLOKOSA-N 0 3 349.431 1.736 20 5 EDBDHN CN(C(=O)CN1CC[C@@H]2CCN(C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370148815 155348090 /nfs/dbraw/zinc/34/80/90/155348090.db2.gz CMXMHNIFFKHNPC-XJKSGUPXSA-N 0 3 332.404 1.584 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000363849851 153075099 /nfs/dbraw/zinc/07/50/99/153075099.db2.gz CFHMVLVCGHSEKQ-CYBMUJFWSA-N 0 3 349.387 1.587 20 5 EDBDHN COc1ccc(CNC(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000417201629 304384044 /nfs/dbraw/zinc/38/40/44/304384044.db2.gz WSZQKFBISKFLPQ-LBPRGKRZSA-N 0 3 344.318 1.400 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000367830800 154288881 /nfs/dbraw/zinc/28/88/81/154288881.db2.gz FCYVQJZPNMWBBZ-QWRGUYRKSA-N 0 3 331.369 1.136 20 5 EDBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000374314261 157238848 /nfs/dbraw/zinc/23/88/48/157238848.db2.gz CGBAUNSZYDLQMD-LSDHHAIUSA-N 0 3 329.360 1.005 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@](CO)(c3ccccc3)C2)n1 ZINC000374557096 157328066 /nfs/dbraw/zinc/32/80/66/157328066.db2.gz OVOURQIPSHPUCO-QGZVFWFLSA-N 0 3 330.388 1.817 20 5 EDBDHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123101539 222215482 /nfs/dbraw/zinc/21/54/82/222215482.db2.gz YYEZKFJCPNSGGG-VIFPVBQESA-N 0 3 335.451 1.973 20 5 EDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123101690 222216361 /nfs/dbraw/zinc/21/63/61/222216361.db2.gz YYEZKFJCPNSGGG-SECBINFHSA-N 0 3 335.451 1.973 20 5 EDBDHN Cc1nn(C)c(C(=O)NCc2ccc(CN(C)C)cc2)c1[N+](=O)[O-] ZINC000129059647 287468572 /nfs/dbraw/zinc/46/85/72/287468572.db2.gz INJHBGXSGRZRRO-UHFFFAOYSA-N 0 3 331.376 1.628 20 5 EDBDHN C[C@@H]1CCCCN1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273483003 268049164 /nfs/dbraw/zinc/04/91/64/268049164.db2.gz NAWCSXIJLUHSNB-LLVKDONJSA-N 0 3 342.421 1.529 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000274527017 268157643 /nfs/dbraw/zinc/15/76/43/268157643.db2.gz ANIGZTXQLPLFCJ-UHFFFAOYSA-N 0 3 325.340 1.665 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000277084949 273179714 /nfs/dbraw/zinc/17/97/14/273179714.db2.gz KYHCUKSFILRUMU-OCCSQVGLSA-N 0 3 339.417 1.721 20 5 EDBDHN Cn1cc([C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277622754 273212766 /nfs/dbraw/zinc/21/27/66/273212766.db2.gz ANRRXXYCTSZMPV-YOEHRIQHSA-N 0 3 346.387 1.415 20 5 EDBDHN COC(=O)C(C)(C)CCNCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000285400370 274529529 /nfs/dbraw/zinc/52/95/29/274529529.db2.gz FCBYDRROLCLKNI-UHFFFAOYSA-N 0 3 326.349 1.988 20 5 EDBDHN CN1CCC[C@H](N2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)C1 ZINC000375519698 277074267 /nfs/dbraw/zinc/07/42/67/277074267.db2.gz KUHYWOVXEBYKAH-AWEZNQCLSA-N 0 3 345.447 1.779 20 5 EDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122456130 277084187 /nfs/dbraw/zinc/08/41/87/277084187.db2.gz RVDHGVRFGAHMAT-STQMWFEESA-N 0 3 339.417 1.700 20 5 EDBDHN CS[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271182573 278148794 /nfs/dbraw/zinc/14/87/94/278148794.db2.gz UTFXYPAJVWBZJP-TZMCWYRMSA-N 0 3 339.417 1.478 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287790131 288324282 /nfs/dbraw/zinc/32/42/82/288324282.db2.gz IUVACCLNRNFVDM-UHFFFAOYSA-N 0 3 338.383 1.724 20 5 EDBDHN C[C@@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293675855 303001887 /nfs/dbraw/zinc/00/18/87/303001887.db2.gz KBCQWQKTQYGMEN-ZYHUDNBSSA-N 0 3 342.421 1.252 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000293699434 303005864 /nfs/dbraw/zinc/00/58/64/303005864.db2.gz OVFODMOMJZTSPL-BXUZGUMPSA-N 0 3 346.387 1.603 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000294264574 303084456 /nfs/dbraw/zinc/08/44/56/303084456.db2.gz YTPPCGVHPSAVMY-UHFFFAOYSA-N 0 3 346.391 1.794 20 5 EDBDHN C[C@@H]1C[C@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000296383548 303314515 /nfs/dbraw/zinc/31/45/15/303314515.db2.gz KQBRZYPMTSGEOL-GYSYKLTISA-N 0 3 343.405 1.029 20 5 EDBDHN COC(=O)[C@]1(c2ccccc2)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000428820979 305018491 /nfs/dbraw/zinc/01/84/91/305018491.db2.gz UGZTZXOPUWXTES-QGZVFWFLSA-N 0 3 344.371 1.608 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2Cc3cccc(O)c3C2)c1 ZINC000429238166 305026362 /nfs/dbraw/zinc/02/63/62/305026362.db2.gz QWHXIPVQRKAVBG-ZFWWWQNUSA-N 0 3 344.367 1.797 20 5 EDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000434710975 305129081 /nfs/dbraw/zinc/12/90/81/305129081.db2.gz ZWIYTUFFKVBINN-WDEREUQCSA-N 0 3 335.360 1.117 20 5 EDBDHN CN(CCN(C)C1CC1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447808422 305286083 /nfs/dbraw/zinc/28/60/83/305286083.db2.gz VAPFSRWDXVYMHT-UHFFFAOYSA-N 0 3 348.447 1.957 20 5 EDBDHN CN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448902972 305303457 /nfs/dbraw/zinc/30/34/57/305303457.db2.gz DWJKFKJXWMHNNL-UHFFFAOYSA-N 0 3 343.387 1.948 20 5 EDBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449656680 305316577 /nfs/dbraw/zinc/31/65/77/305316577.db2.gz LWZVYYWSYJZORA-ZDUSSCGKSA-N 0 3 340.330 1.896 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451293738 305336862 /nfs/dbraw/zinc/33/68/62/305336862.db2.gz BLFQURLQBUCQFI-MAZHCROVSA-N 0 3 336.388 1.965 20 5 EDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCN1CCCO ZINC000452368223 305393693 /nfs/dbraw/zinc/39/36/93/305393693.db2.gz QNTUCWZJZJSAMS-INIZCTEOSA-N 0 3 335.404 1.490 20 5 EDBDHN O=C(NCCN1CCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000044529689 440852777 /nfs/dbraw/zinc/85/27/77/440852777.db2.gz JFFNPTKQMBMYDG-UHFFFAOYSA-N 0 3 343.387 1.996 20 5 EDBDHN COc1cc(OCC(=O)N[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000057554626 441122196 /nfs/dbraw/zinc/12/21/96/441122196.db2.gz CTIBUZDDPBOLGG-LLVKDONJSA-N 0 3 335.360 1.335 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000104748813 441203994 /nfs/dbraw/zinc/20/39/94/441203994.db2.gz HLEZBDBXIPEKER-GFCCVEGCSA-N 0 3 327.406 1.475 20 5 EDBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H]1CCN(C2CC2)C1 ZINC000073052137 441289209 /nfs/dbraw/zinc/28/92/09/441289209.db2.gz QUWKOVIGJYKSDV-LBPRGKRZSA-N 0 3 347.371 1.261 20 5 EDBDHN C[C@H](NC(C)(C)CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000109276428 441493639 /nfs/dbraw/zinc/49/36/39/441493639.db2.gz MKBDIFQCTSEJCR-LBPRGKRZSA-N 0 3 346.391 1.432 20 5 EDBDHN O=C(NC1CCN(C2CC2)CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066604283 441550783 /nfs/dbraw/zinc/55/07/83/441550783.db2.gz CYUODJNHQNGDOP-UHFFFAOYSA-N 0 3 347.371 1.723 20 5 EDBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000054223734 441564454 /nfs/dbraw/zinc/56/44/54/441564454.db2.gz ZICWUAXBUOCQBB-ZFWWWQNUSA-N 0 3 343.387 1.743 20 5 EDBDHN COCCCN(CCOC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000054365507 441574680 /nfs/dbraw/zinc/57/46/80/441574680.db2.gz KIYCCWKWJKMPKD-OAHLLOKOSA-N 0 3 342.392 1.319 20 5 EDBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000068776116 441850159 /nfs/dbraw/zinc/85/01/59/441850159.db2.gz FWZYQQXVJQCENM-UHFFFAOYSA-N 0 3 349.387 1.922 20 5 EDBDHN CCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161589104 442013549 /nfs/dbraw/zinc/01/35/49/442013549.db2.gz SOBWZDWNANFWMD-CQSZACIVSA-N 0 3 334.376 1.007 20 5 EDBDHN CC(C)CN(CCN(C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161787093 442032908 /nfs/dbraw/zinc/03/29/08/442032908.db2.gz FTEXMKIILOQXSE-UHFFFAOYSA-N 0 3 326.401 1.021 20 5 EDBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000164712255 442200975 /nfs/dbraw/zinc/20/09/75/442200975.db2.gz JPNHVYRPVFUVCY-UHFFFAOYSA-N 0 3 331.376 1.532 20 5 EDBDHN CCOc1ccc(C(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000152642228 442233944 /nfs/dbraw/zinc/23/39/44/442233944.db2.gz QOEVZVWMMHERNK-HNNXBMFYSA-N 0 3 325.365 1.036 20 5 EDBDHN COC[C@](C)(CCO)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177405808 442337778 /nfs/dbraw/zinc/33/77/78/442337778.db2.gz BOVNIWYQLUDQIO-INIZCTEOSA-N 0 3 339.392 1.609 20 5 EDBDHN CCCN1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000155115652 442376820 /nfs/dbraw/zinc/37/68/20/442376820.db2.gz KLYCQTTYXZWESA-UHFFFAOYSA-N 0 3 348.403 1.786 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(CN(C)C)cc1 ZINC000132313718 442390831 /nfs/dbraw/zinc/39/08/31/442390831.db2.gz SSLAQRYOXLOICX-UHFFFAOYSA-N 0 3 345.403 1.868 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000156342538 442469816 /nfs/dbraw/zinc/46/98/16/442469816.db2.gz ZQUYKKZQKXHQEF-CYBMUJFWSA-N 0 3 325.365 1.539 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H](N3CCCC3)C2)n1 ZINC000191605487 442475346 /nfs/dbraw/zinc/47/53/46/442475346.db2.gz CPECBOHJNZPQRU-ZDUSSCGKSA-N 0 3 335.408 1.902 20 5 EDBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000179857837 442512917 /nfs/dbraw/zinc/51/29/17/442512917.db2.gz OUVGHTGEGSYGQJ-LBPRGKRZSA-N 0 3 333.388 1.889 20 5 EDBDHN CCc1n[nH]c(C(=O)N2CCC[C@@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000192508037 442655004 /nfs/dbraw/zinc/65/50/04/442655004.db2.gz VBDVDNZKSNWONB-GFCCVEGCSA-N 0 3 335.408 1.971 20 5 EDBDHN CCc1[nH]nc(C(=O)N2CCC[C@@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000192508037 442655007 /nfs/dbraw/zinc/65/50/07/442655007.db2.gz VBDVDNZKSNWONB-GFCCVEGCSA-N 0 3 335.408 1.971 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000173244360 442631816 /nfs/dbraw/zinc/63/18/16/442631816.db2.gz KYZSLXUYQUAWLZ-AAEUAGOBSA-N 0 3 341.433 1.864 20 5 EDBDHN CN(CCc1nccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000157972308 442632936 /nfs/dbraw/zinc/63/29/36/442632936.db2.gz OZQSROFMYWXHNZ-ZDUSSCGKSA-N 0 3 337.401 1.966 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)C(C)(C)C ZINC000193097959 442713034 /nfs/dbraw/zinc/71/30/34/442713034.db2.gz FMRGFELHGNLBSC-CYBMUJFWSA-N 0 3 325.365 1.539 20 5 EDBDHN Cc1nn(C)c(C(=O)NCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000194147926 442852729 /nfs/dbraw/zinc/85/27/29/442852729.db2.gz OIAVRXWYFOTRLE-UHFFFAOYSA-N 0 3 331.376 1.499 20 5 EDBDHN CCOC(=O)c1ccnc(NCCN(C)CCOC)c1[N+](=O)[O-] ZINC000265605405 442843310 /nfs/dbraw/zinc/84/33/10/442843310.db2.gz TUNIJWFTPUWCKV-UHFFFAOYSA-N 0 3 326.353 1.157 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000268124153 442857290 /nfs/dbraw/zinc/85/72/90/442857290.db2.gz AKFTUQDKYVLLLO-BXUZGUMPSA-N 0 3 334.376 1.250 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000268168309 442880989 /nfs/dbraw/zinc/88/09/89/442880989.db2.gz ZFVSWHTVVIJCCO-ABAIWWIYSA-N 0 3 348.403 1.885 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000265972277 442989500 /nfs/dbraw/zinc/98/95/00/442989500.db2.gz BWMYVLXNZWQUNM-JTQLQIEISA-N 0 3 331.394 1.222 20 5 EDBDHN C[C@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000266869028 443273380 /nfs/dbraw/zinc/27/33/80/443273380.db2.gz MNLJDPMPQKBGCJ-AAEUAGOBSA-N 0 3 327.406 1.669 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN(C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245990250 443261340 /nfs/dbraw/zinc/26/13/40/443261340.db2.gz WTGUKESJWIFHEI-JSGCOSHPSA-N 0 3 326.422 1.778 20 5 EDBDHN CN(CC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000272455926 443324442 /nfs/dbraw/zinc/32/44/42/443324442.db2.gz JYZUUOHOSVREAR-BBRMVZONSA-N 0 3 332.404 1.584 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000264600935 443341836 /nfs/dbraw/zinc/34/18/36/443341836.db2.gz XQWUIQOEBUSTNT-AWEZNQCLSA-N 0 3 335.408 1.577 20 5 EDBDHN CS[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270967755 443485623 /nfs/dbraw/zinc/48/56/23/443485623.db2.gz BHHWYQCXLHXHTK-ZJUUUORDSA-N 0 3 341.437 1.559 20 5 EDBDHN CS[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270967755 443485624 /nfs/dbraw/zinc/48/56/24/443485624.db2.gz BHHWYQCXLHXHTK-ZJUUUORDSA-N 0 3 341.437 1.559 20 5 EDBDHN CN(C)C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264998873 443505237 /nfs/dbraw/zinc/50/52/37/443505237.db2.gz UXGWZTNYPDQJAF-NSHDSACASA-N 0 3 327.406 1.386 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCO1 ZINC000265403086 443630262 /nfs/dbraw/zinc/63/02/62/443630262.db2.gz XZSALEJDHGWKSP-LBPRGKRZSA-N 0 3 332.360 1.479 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)CN2CCCCC2)n1 ZINC000283506845 443649603 /nfs/dbraw/zinc/64/96/03/443649603.db2.gz JBZCMEFKDGGDRK-NSHDSACASA-N 0 3 338.364 1.035 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453918188 320271599 /nfs/dbraw/zinc/27/15/99/320271599.db2.gz NNJUQQPZAJSQEU-SWLSCSKDSA-N 0 3 346.387 1.258 20 5 EDBDHN Cc1c(CN2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000286326317 443691439 /nfs/dbraw/zinc/69/14/39/443691439.db2.gz WEPHHDYEIKTAOX-CZUORRHYSA-N 0 3 347.415 1.830 20 5 EDBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1cccs1 ZINC000298334889 443748453 /nfs/dbraw/zinc/74/84/53/443748453.db2.gz XWQROKITFDVOMI-NSHDSACASA-N 0 3 335.389 1.865 20 5 EDBDHN COC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000542524423 320782237 /nfs/dbraw/zinc/78/22/37/320782237.db2.gz BBNDHHQACKAIEX-ZDUSSCGKSA-N 0 3 325.365 1.803 20 5 EDBDHN CCC[C@@]1(CO)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000288794903 443985126 /nfs/dbraw/zinc/98/51/26/443985126.db2.gz LMMSVSUVWVPSAI-DOTOQJQBSA-N 0 3 338.404 1.819 20 5 EDBDHN Cc1sc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281737976 443992855 /nfs/dbraw/zinc/99/28/55/443992855.db2.gz JTZPJRNUYXIUAM-UHFFFAOYSA-N 0 3 340.449 1.721 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000299395403 444036702 /nfs/dbraw/zinc/03/67/02/444036702.db2.gz ULJGMLRBQIHUKS-OCCSQVGLSA-N 0 3 348.403 1.687 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(S(C)(=O)=O)CCNCC1 ZINC000567970187 321269888 /nfs/dbraw/zinc/26/98/88/321269888.db2.gz JTWTZOMROLLBRG-UHFFFAOYSA-N 0 3 341.389 1.009 20 5 EDBDHN COCCOCc1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000289818332 444207131 /nfs/dbraw/zinc/20/71/31/444207131.db2.gz SNTOQXURABVQPE-UHFFFAOYSA-N 0 3 334.376 1.744 20 5 EDBDHN CC[C@H](NC(=O)C(=O)N1CC[C@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000289648308 444186065 /nfs/dbraw/zinc/18/60/65/444186065.db2.gz LMFMOISDDOJPHN-GJZGRUSLSA-N 0 3 348.403 1.325 20 5 EDBDHN C[C@@]1(C[C@@H]2CCCN2Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289709497 444193604 /nfs/dbraw/zinc/19/36/04/444193604.db2.gz OVEHYXADYRXXJH-LRDDRELGSA-N 0 3 332.360 1.547 20 5 EDBDHN CN(CCNc1nccc(C(N)=O)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000290749142 444319093 /nfs/dbraw/zinc/31/90/93/444319093.db2.gz ILKQFFYBDTUDPZ-UHFFFAOYSA-N 0 3 347.350 1.772 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000297749427 444328522 /nfs/dbraw/zinc/32/85/22/444328522.db2.gz CXZXVALAJDZWIS-ZDUSSCGKSA-N 0 3 348.403 1.751 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H](CO)c2cccnc2)c1 ZINC000580075134 322006638 /nfs/dbraw/zinc/00/66/38/322006638.db2.gz VHFVEMUHZSQKAC-HOCLYGCPSA-N 0 3 347.371 1.095 20 5 EDBDHN Cn1cc2c(n1)CCC[C@H]2NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580555154 322066431 /nfs/dbraw/zinc/06/64/31/322066431.db2.gz GZGKKGDTSDRLNT-GXTWGEPZSA-N 0 3 346.387 1.735 20 5 EDBDHN CC[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000547439250 322127173 /nfs/dbraw/zinc/12/71/73/322127173.db2.gz RCXXCUCIDHSNAS-LLVKDONJSA-N 0 3 328.394 1.000 20 5 EDBDHN CC[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000547439250 322127175 /nfs/dbraw/zinc/12/71/75/322127175.db2.gz RCXXCUCIDHSNAS-LLVKDONJSA-N 0 3 328.394 1.000 20 5 EDBDHN COC(=O)c1cn(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000581444450 322178764 /nfs/dbraw/zinc/17/87/64/322178764.db2.gz VTJVGNXMRXZJJR-LLVKDONJSA-N 0 3 333.348 1.632 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342235296 444579700 /nfs/dbraw/zinc/57/97/00/444579700.db2.gz QJMYUFBAHQVKOZ-NXEZZACHSA-N 0 3 330.287 1.890 20 5 EDBDHN Cn1cc([C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)cn1 ZINC000342332110 444636091 /nfs/dbraw/zinc/63/60/91/444636091.db2.gz YJESWRGAKWHAOX-UONOGXRCSA-N 0 3 336.396 1.263 20 5 EDBDHN C[C@H](N[C@H]1CCC(=O)NC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000338598999 444767671 /nfs/dbraw/zinc/76/76/71/444767671.db2.gz RDZJLTNMTAAHQQ-GWCFXTLKSA-N 0 3 334.376 1.569 20 5 EDBDHN COC(=O)C1CCN(CCCNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000338985040 444970267 /nfs/dbraw/zinc/97/02/67/444970267.db2.gz DCHFHBCJCDCRHK-UHFFFAOYSA-N 0 3 339.396 1.324 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000342008574 445120962 /nfs/dbraw/zinc/12/09/62/445120962.db2.gz BMNOXUOHWXUIRZ-YVEFUNNKSA-N 0 3 346.387 1.489 20 5 EDBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000343526631 445238918 /nfs/dbraw/zinc/23/89/18/445238918.db2.gz PQNQQBLMYJVUBQ-LBPRGKRZSA-N 0 3 331.376 1.579 20 5 EDBDHN C[C@H]1[C@@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCCN1C ZINC000343597233 445256836 /nfs/dbraw/zinc/25/68/36/445256836.db2.gz MSIMROXWKUUKPT-ZANVPECISA-N 0 3 328.394 1.137 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000354511428 445272245 /nfs/dbraw/zinc/27/22/45/445272245.db2.gz QXOGCUAXVVBIQE-LBPRGKRZSA-N 0 3 336.392 1.687 20 5 EDBDHN CN(C)CC1(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000355330457 445455880 /nfs/dbraw/zinc/45/58/80/445455880.db2.gz XMPQSGPDGDXQDO-UHFFFAOYSA-N 0 3 327.406 1.499 20 5 EDBDHN CN(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@@H]1O ZINC000359952588 445502094 /nfs/dbraw/zinc/50/20/94/445502094.db2.gz NYOYJYLPTKNWHU-CABCVRRESA-N 0 3 346.362 1.907 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000360118801 445577327 /nfs/dbraw/zinc/57/73/27/445577327.db2.gz RQSXYLUEANNLKI-ZIAGYGMSSA-N 0 3 339.417 1.863 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](OCCN(C)C)C2)c1 ZINC000360119371 445577556 /nfs/dbraw/zinc/57/75/56/445577556.db2.gz UYZDVCOEKJWETI-CYBMUJFWSA-N 0 3 337.376 1.538 20 5 EDBDHN COc1ccc(CNC(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000356180565 445663873 /nfs/dbraw/zinc/66/38/73/445663873.db2.gz LEJXNRLTEOEMFR-UHFFFAOYSA-N 0 3 345.359 1.332 20 5 EDBDHN Cn1ccnc1[C@H](NC[C@@]1(O)CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000353673388 445701588 /nfs/dbraw/zinc/70/15/88/445701588.db2.gz PGGVPWCPPDAFCN-WBVHZDCISA-N 0 3 345.403 1.074 20 5 EDBDHN CN1CCC[C@@H](N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363180065 445710227 /nfs/dbraw/zinc/71/02/27/445710227.db2.gz WVDOOZPMGSIHLD-GOSISDBHSA-N 0 3 332.448 1.849 20 5 EDBDHN CN(C)CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000356450483 445796994 /nfs/dbraw/zinc/79/69/94/445796994.db2.gz VLGNBKDIOVNXOW-UHFFFAOYSA-N 0 3 347.375 1.199 20 5 EDBDHN COc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1O ZINC000582959556 325967953 /nfs/dbraw/zinc/96/79/53/325967953.db2.gz FFMGXJWZLMELSS-CQSZACIVSA-N 0 3 348.355 1.839 20 5 EDBDHN COC(=O)c1cc(N2CCNC[C@](C)(F)C2)cc(C)c1[N+](=O)[O-] ZINC000420275773 446445422 /nfs/dbraw/zinc/44/54/22/446445422.db2.gz ZXTAOLUNUWUUKK-HNNXBMFYSA-N 0 3 325.340 1.828 20 5 EDBDHN CN1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)C1=O ZINC000376474205 446517499 /nfs/dbraw/zinc/51/74/99/446517499.db2.gz VXLDHDFLEYINPE-UHFFFAOYSA-N 0 3 348.359 1.947 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420443396 446619233 /nfs/dbraw/zinc/61/92/33/446619233.db2.gz LBFXCGAHVNGJDF-LBPRGKRZSA-N 0 3 327.406 1.714 20 5 EDBDHN O=C(NC[C@H]1CNCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418775645 446693950 /nfs/dbraw/zinc/69/39/50/446693950.db2.gz WLLGIZMUZTWEGH-OAHLLOKOSA-N 0 3 334.376 1.257 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000453934502 446714713 /nfs/dbraw/zinc/71/47/13/446714713.db2.gz QENDOHYKQQKNQV-RISCZKNCSA-N 0 3 332.360 1.004 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(C(=O)N(C)C)CC1 ZINC000411910964 446722005 /nfs/dbraw/zinc/72/20/05/446722005.db2.gz JKLAJHWCLWUNQS-UHFFFAOYSA-N 0 3 334.376 1.442 20 5 EDBDHN CN(C)C(=O)C1(NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000411912271 446723321 /nfs/dbraw/zinc/72/33/21/446723321.db2.gz LSNDMZFOMDTFKS-UHFFFAOYSA-N 0 3 348.359 1.103 20 5 EDBDHN O=C(CN[C@H]1CCO[C@H]1C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375429317 446792240 /nfs/dbraw/zinc/79/22/40/446792240.db2.gz QIKCBNMHOUDASD-YOEHRIQHSA-N 0 3 331.372 1.641 20 5 EDBDHN CN(C)C1(CNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000419006693 446861899 /nfs/dbraw/zinc/86/18/99/446861899.db2.gz ICFONMBBRPHWLV-UHFFFAOYSA-N 0 3 342.421 1.351 20 5 EDBDHN CN1CC[C@@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000371507191 446901903 /nfs/dbraw/zinc/90/19/03/446901903.db2.gz YLLNZFMGMSNLOE-HIFRSBDPSA-N 0 3 339.417 1.451 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](n2cncn2)C1 ZINC000372368742 447050008 /nfs/dbraw/zinc/05/00/08/447050008.db2.gz PGMXDYCRXLATMJ-AWEZNQCLSA-N 0 3 344.375 1.770 20 5 EDBDHN COc1cnccc1N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413266176 447104775 /nfs/dbraw/zinc/10/47/75/447104775.db2.gz LOHWKBTXURWNQC-UHFFFAOYSA-N 0 3 333.323 1.859 20 5 EDBDHN CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000444167281 447085502 /nfs/dbraw/zinc/08/55/02/447085502.db2.gz DNRXNOCRZMVWDK-UHFFFAOYSA-N 0 3 329.422 1.912 20 5 EDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000421703010 447223206 /nfs/dbraw/zinc/22/32/06/447223206.db2.gz LJKZMKGCEPNPPE-INIZCTEOSA-N 0 3 343.387 1.947 20 5 EDBDHN CCCN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456065926 447291556 /nfs/dbraw/zinc/29/15/56/447291556.db2.gz UZDJRQZZIRZEGR-UHFFFAOYSA-N 0 3 335.408 1.980 20 5 EDBDHN Cc1nc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450406442 447481275 /nfs/dbraw/zinc/48/12/75/447481275.db2.gz HJJJOVPYUWQMOS-CABCVRRESA-N 0 3 343.387 1.741 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCCN2CCCO)s1 ZINC000450598144 447535155 /nfs/dbraw/zinc/53/51/55/447535155.db2.gz QAKXJDWJEJQXLW-JTQLQIEISA-N 0 3 337.405 1.858 20 5 EDBDHN O=C(CNC1(CO)CCSCC1)Nc1ccccc1[N+](=O)[O-] ZINC000459708149 447746081 /nfs/dbraw/zinc/74/60/81/447746081.db2.gz XBQUVRZUNJXDEP-UHFFFAOYSA-N 0 3 325.390 1.381 20 5 EDBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000458221680 447748369 /nfs/dbraw/zinc/74/83/69/447748369.db2.gz KPZQKPPCVHIXRR-UHFFFAOYSA-N 0 3 337.405 1.594 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@](O)(C2CC2)C1 ZINC000489151900 447851797 /nfs/dbraw/zinc/85/17/97/447851797.db2.gz WUFTUFAKHKWWGX-QGZVFWFLSA-N 0 3 347.371 1.740 20 5 EDBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000487270894 447828854 /nfs/dbraw/zinc/82/88/54/447828854.db2.gz KLWOXFAGKHJAMN-NEPJUHHUSA-N 0 3 341.433 1.897 20 5 EDBDHN CC(C)(C)C[C@@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000575988587 447943999 /nfs/dbraw/zinc/94/39/99/447943999.db2.gz RNQXZHYWRHFQAB-LBPRGKRZSA-N 0 3 344.433 1.755 20 5 EDBDHN CN1CCN(c2cc[nH+]cc2[N-]C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531881556 448166264 /nfs/dbraw/zinc/16/62/64/448166264.db2.gz PAXAEBXQUQDXBM-UHFFFAOYSA-N 0 3 342.359 1.389 20 5 EDBDHN CN1CCN(c2ccncc2NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531881556 448166266 /nfs/dbraw/zinc/16/62/66/448166266.db2.gz PAXAEBXQUQDXBM-UHFFFAOYSA-N 0 3 342.359 1.389 20 5 EDBDHN CN1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000515103339 448259431 /nfs/dbraw/zinc/25/94/31/448259431.db2.gz NEFDCQIFFFYAQY-UHFFFAOYSA-N 0 3 345.403 1.966 20 5 EDBDHN CCOc1cc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000582587876 448281645 /nfs/dbraw/zinc/28/16/45/448281645.db2.gz BXGMNZSDRMQMGU-SMDDNHRTSA-N 0 3 349.387 1.778 20 5 EDBDHN CC(C)NS(=O)(=O)NCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582796039 448342843 /nfs/dbraw/zinc/34/28/43/448342843.db2.gz HSVUWCLEBROSNL-CYBMUJFWSA-N 0 3 342.421 1.004 20 5 EDBDHN CC(C)(C)Oc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000584406576 448513924 /nfs/dbraw/zinc/51/39/24/448513924.db2.gz RFGYWOFMNJTLIY-AWEZNQCLSA-N 0 3 349.391 1.514 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592250704 448762609 /nfs/dbraw/zinc/76/26/09/448762609.db2.gz VJUWJDZIUIFMRO-LBPRGKRZSA-N 0 3 349.391 1.487 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(CO)cc1 ZINC000592430234 448832739 /nfs/dbraw/zinc/83/27/39/448832739.db2.gz IKALWZAMIBQYFS-HNNXBMFYSA-N 0 3 332.356 1.617 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000579728124 448866326 /nfs/dbraw/zinc/86/63/26/448866326.db2.gz GLTKVMLAXCLWDY-CQSZACIVSA-N 0 3 348.403 1.784 20 5 EDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)CN(C)C ZINC000588866519 448943258 /nfs/dbraw/zinc/94/32/58/448943258.db2.gz KREQTGXWDPKHAS-WDEREUQCSA-N 0 3 327.406 1.114 20 5 EDBDHN C[C@H]1CCN(CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000521929402 449029430 /nfs/dbraw/zinc/02/94/30/449029430.db2.gz RHFQWFPEAZTASV-ZDUSSCGKSA-N 0 3 341.433 1.399 20 5 EDBDHN CN(C)c1nccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000522059448 449047916 /nfs/dbraw/zinc/04/79/16/449047916.db2.gz GFCCEMFJOHQDPR-KBPBESRZSA-N 0 3 345.407 1.921 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CCN(C)C)C(=O)C1 ZINC000593655278 449132652 /nfs/dbraw/zinc/13/26/52/449132652.db2.gz BNPVEKUCVLUZTP-PTNGSMBKSA-N 0 3 346.431 1.704 20 5 EDBDHN CC(C)(C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599938117 449116982 /nfs/dbraw/zinc/11/69/82/449116982.db2.gz MOMFHEFPAGGTHT-JKSUJKDBSA-N 0 3 347.415 1.540 20 5 EDBDHN C[C@@]12COC[C@]1(C)CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595688579 449119733 /nfs/dbraw/zinc/11/97/33/449119733.db2.gz HTFVMZSJOMURIM-OIISXLGYSA-N 0 3 336.388 1.693 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590441240 449162238 /nfs/dbraw/zinc/16/22/38/449162238.db2.gz CSSOQKQJFLHLGN-ABAIWWIYSA-N 0 3 347.371 1.548 20 5 EDBDHN O=C1[C@H](N[C@H]2C[C@H](O)C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595786101 449164274 /nfs/dbraw/zinc/16/42/74/449164274.db2.gz ZVVDCPDMUZSCCH-ILXRZTDVSA-N 0 3 331.372 1.593 20 5 EDBDHN Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000590399152 449146954 /nfs/dbraw/zinc/14/69/54/449146954.db2.gz CGYZGIHLOPCVNM-HOTGVXAUSA-N 0 3 333.388 1.838 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590588778 449204188 /nfs/dbraw/zinc/20/41/88/449204188.db2.gz JYPYHZXFUNKZAR-BXUZGUMPSA-N 0 3 327.406 1.616 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000590590467 449207314 /nfs/dbraw/zinc/20/73/14/449207314.db2.gz XMLNVKRISPAQOC-OCCSQVGLSA-N 0 3 341.433 1.925 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593459982 449295541 /nfs/dbraw/zinc/29/55/41/449295541.db2.gz YLMKLHCRPCZBRE-CYBMUJFWSA-N 0 3 325.340 1.113 20 5 EDBDHN CCCN1CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000596066015 449344610 /nfs/dbraw/zinc/34/46/10/449344610.db2.gz NRTZTCPKCSFKDA-CYBMUJFWSA-N 0 3 341.433 1.442 20 5 EDBDHN Nc1ccc(NCCCN2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000596073834 449349412 /nfs/dbraw/zinc/34/94/12/449349412.db2.gz BJODXPORIDBINL-UHFFFAOYSA-N 0 3 327.388 2.432 20 5 EDBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000602112493 449355126 /nfs/dbraw/zinc/35/51/26/449355126.db2.gz QTUQFFNHZNGGHS-IAGOWNOFSA-N 0 3 347.415 1.897 20 5 EDBDHN NC(=O)c1cc(N2CCN(CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596130558 449379033 /nfs/dbraw/zinc/37/90/33/449379033.db2.gz ROHOPWIMQPEQKB-UHFFFAOYSA-N 0 3 348.403 1.242 20 5 EDBDHN C[C@@H](C(=O)NC[C@]1(O)CN2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000594357696 449465186 /nfs/dbraw/zinc/46/51/86/449465186.db2.gz LOLJEUAWQRDNEW-PXAZEXFGSA-N 0 3 333.388 1.271 20 5 EDBDHN [NH3+]Cc1cc(=O)[n-]c(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000596653443 449588242 /nfs/dbraw/zinc/58/82/42/449588242.db2.gz KKXKBERYQXQWGZ-VXGBXAGGSA-N 0 3 347.379 1.019 20 5 EDBDHN CC(C)N1CCN([C@@H]2CCN(c3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601130508 449706375 /nfs/dbraw/zinc/70/63/75/449706375.db2.gz VTTOERDMFXBENQ-CQSZACIVSA-N 0 3 337.399 1.734 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN([C@@H]4CCC[C@H]4O)CC3)c21 ZINC000612444752 449709135 /nfs/dbraw/zinc/70/91/35/449709135.db2.gz MRGDUSINTSHHOU-UKRRQHHQSA-N 0 3 343.387 1.573 20 5 EDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000599102471 449734496 /nfs/dbraw/zinc/73/44/96/449734496.db2.gz NSHGDDFITZAIPW-CYBMUJFWSA-N 0 3 325.390 1.299 20 5 EDBDHN C[C@H](C[C@@H]1CCOC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576209 449781768 /nfs/dbraw/zinc/78/17/68/449781768.db2.gz WBPMEPKRGJKTGX-OLZOCXBDSA-N 0 3 342.417 1.773 20 5 EDBDHN O=[N+]([O-])c1ccc(-c2csc(NCCN3CC[C@H](O)C3)n2)cc1 ZINC000599198906 449793024 /nfs/dbraw/zinc/79/30/24/449793024.db2.gz ALJSMSRFHSFKFH-ZDUSSCGKSA-N 0 3 334.401 2.197 20 5 EDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000601421023 449938399 /nfs/dbraw/zinc/93/83/99/449938399.db2.gz ACQHMDVUKDDDCG-CABZTGNLSA-N 0 3 331.369 1.447 20 5 EDBDHN N[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260761 449982663 /nfs/dbraw/zinc/98/26/63/449982663.db2.gz KRPZWEZHIDWHFV-CHWSQXEVSA-N 0 3 336.367 1.706 20 5 EDBDHN N[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[C@H]1F ZINC000595261130 449984352 /nfs/dbraw/zinc/98/43/52/449984352.db2.gz SELKFURMFXXPRS-GHMZBOCLSA-N 0 3 333.323 1.292 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000609257770 449984424 /nfs/dbraw/zinc/98/44/24/449984424.db2.gz DQTRZZDRZJWLCE-HZPDHXFCSA-N 0 3 346.387 1.868 20 5 EDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609383037 450020596 /nfs/dbraw/zinc/02/05/96/450020596.db2.gz IKPWQSUDAHJCFV-LLVKDONJSA-N 0 3 333.344 1.538 20 5 EDBDHN Cc1c(CNC(=O)c2cnn(CCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000601525795 450047959 /nfs/dbraw/zinc/04/79/59/450047959.db2.gz PPTBCHXBMCSMOK-UHFFFAOYSA-N 0 3 331.376 1.591 20 5 EDBDHN CC(C)c1n[n-]c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)c1[N+](=O)[O-] ZINC000597575960 450118956 /nfs/dbraw/zinc/11/89/56/450118956.db2.gz AUKUXHVSXCIUFF-MNOVXSKESA-N 0 3 339.371 1.700 20 5 EDBDHN CN(C)CCc1cn([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nn1 ZINC000603214121 450147901 /nfs/dbraw/zinc/14/79/01/450147901.db2.gz BWBJXGDNIAIIAQ-HNNXBMFYSA-N 0 3 344.375 1.268 20 5 EDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610177405 450149683 /nfs/dbraw/zinc/14/96/83/450149683.db2.gz KEXLRLVJSMZEKY-FZMZJTMJSA-N 0 3 349.387 1.778 20 5 EDBDHN CC(=O)NC[C@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599704786 450166403 /nfs/dbraw/zinc/16/64/03/450166403.db2.gz TVUNZPHAENLHLU-MRXNPFEDSA-N 0 3 348.403 1.914 20 5 EDBDHN CN1CCN(CC2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC000597694000 450201306 /nfs/dbraw/zinc/20/13/06/450201306.db2.gz HXXQIOKBEBDZDE-UHFFFAOYSA-N 0 3 336.367 1.053 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000603422968 450295078 /nfs/dbraw/zinc/29/50/78/450295078.db2.gz KWZSXHPUTBCVKO-INIZCTEOSA-N 0 3 334.420 1.803 20 5 EDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H](CO)[C@H]1CCOC1)OCCO2 ZINC000619506800 450495525 /nfs/dbraw/zinc/49/55/25/450495525.db2.gz LABVRGLXFHLEHN-WCQYABFASA-N 0 3 338.360 1.101 20 5 EDBDHN CCN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184403269 529143387 /nfs/dbraw/zinc/14/33/87/529143387.db2.gz ZFDNELDAPWHORA-UHFFFAOYSA-N 0 3 349.435 1.325 20 5 EDBDHN CC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271435794 535902229 /nfs/dbraw/zinc/90/22/29/535902229.db2.gz FLTQUKRXNSVAHH-LBPRGKRZSA-N 0 3 327.406 1.651 20 5 EDBDHN COC(=O)COc1ccc(CN[C@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000353067497 536477230 /nfs/dbraw/zinc/47/72/30/536477230.db2.gz BTVAODDKTJWCEX-MRXNPFEDSA-N 0 3 340.376 1.643 20 5 EDBDHN COc1cc(CN(C)C[C@H]2C[C@H](OC)CN2C)c([N+](=O)[O-])cc1F ZINC000345144554 536748780 /nfs/dbraw/zinc/74/87/80/536748780.db2.gz FXBGXXIABVNZMS-OLZOCXBDSA-N 0 3 341.383 1.893 20 5 EDBDHN O=[N+]([O-])c1cc(CNCCn2cncn2)ccc1N1CCCCC1 ZINC000725848671 578288971 /nfs/dbraw/zinc/28/89/71/578288971.db2.gz BNQVEMKJBRLYRS-UHFFFAOYSA-N 0 3 330.392 1.966 20 5 EDBDHN CC(C)CN(CCN(C)C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000729431285 578574893 /nfs/dbraw/zinc/57/48/93/578574893.db2.gz KUILCGMWLRVGIL-UHFFFAOYSA-N 0 3 347.419 1.991 20 5 EDBDHN C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736292063 578974563 /nfs/dbraw/zinc/97/45/63/578974563.db2.gz HXOGKFZTCMWVJL-YPMHNXCESA-N 0 3 343.391 1.838 20 5 EDBDHN C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736292063 578974564 /nfs/dbraw/zinc/97/45/64/578974564.db2.gz HXOGKFZTCMWVJL-YPMHNXCESA-N 0 3 343.391 1.838 20 5 EDBDHN COc1ccccc1[C@H](O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279644 580413920 /nfs/dbraw/zinc/41/39/20/580413920.db2.gz YKZOXQUQJVMQKZ-HZPDHXFCSA-N 0 3 332.356 1.960 20 5 EDBDHN CN1CC[C@@]2(CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000795099098 580913181 /nfs/dbraw/zinc/91/31/81/580913181.db2.gz GIAWNXUFVQXOER-QGZVFWFLSA-N 0 3 343.387 1.499 20 5 EDBDHN Cc1cc(OCC(=O)N[C@@]2(C)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892767921 591168799 /nfs/dbraw/zinc/16/87/99/591168799.db2.gz FVVDJLGYRCYMNJ-KRWDZBQOSA-N 0 3 333.388 1.883 20 5 EDBDHN COc1ccc(CC(=O)N[C@@]2(C)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000892782912 591173867 /nfs/dbraw/zinc/17/38/67/591173867.db2.gz DNPQQQMKUFMCFS-KRWDZBQOSA-N 0 3 333.388 1.746 20 5 EDBDHN O=[N+]([O-])c1ccc2cnn(CN3CC[C@H]4[C@H]3CCCN4CCO)c2c1 ZINC000902643837 592034505 /nfs/dbraw/zinc/03/45/05/592034505.db2.gz MOSOKGLZRZJHJR-CVEARBPZSA-N 0 3 345.403 1.433 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CCN1C ZINC000900666530 592085506 /nfs/dbraw/zinc/08/55/06/592085506.db2.gz NKJYJXDQSUXCNI-WBMJQRKESA-N 0 3 343.387 1.662 20 5 EDBDHN CCO[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CN(C)C ZINC000900691591 592096449 /nfs/dbraw/zinc/09/64/49/592096449.db2.gz MRFMYTDTDXIWQK-NSHDSACASA-N 0 3 329.784 1.945 20 5 EDBDHN CCC[C@@H](NC[C@@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285702 592148996 /nfs/dbraw/zinc/14/89/96/592148996.db2.gz RQCWDTMSPOAQNW-IAGOWNOFSA-N 0 3 337.420 1.719 20 5 EDBDHN CCN1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910294419 592832591 /nfs/dbraw/zinc/83/25/91/592832591.db2.gz FXDWPXZRTHMTSF-LBPRGKRZSA-N 0 3 349.387 1.938 20 5 EDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000808160449 593230878 /nfs/dbraw/zinc/23/08/78/593230878.db2.gz MFBQULVWHWCUQB-BPZRLTIMSA-N 0 3 331.372 1.276 20 5 EDBDHN CC(COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1)[N+](=O)[O-] ZINC000813103144 593517406 /nfs/dbraw/zinc/51/74/06/593517406.db2.gz AHBPOOXHJZIHJZ-SYQHCUMBSA-N 0 3 334.376 1.823 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000817490589 593607715 /nfs/dbraw/zinc/60/77/15/593607715.db2.gz HEDIONIZFFBYLQ-WBMJQRKESA-N 0 3 346.387 1.640 20 5 EDBDHN COCCO[C@@H]1COCC[C@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819245704 593746386 /nfs/dbraw/zinc/74/63/86/593746386.db2.gz YWWLAMQRCWRWIT-BZUAXINKSA-N 0 3 340.376 1.038 20 5 EDBDHN CC1CC[NH+](CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000820722835 593872436 /nfs/dbraw/zinc/87/24/36/593872436.db2.gz PRVIRDJCZOZYJU-UHFFFAOYSA-N 0 3 331.380 1.919 20 5 EDBDHN COCCN(C)CCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003154 593905504 /nfs/dbraw/zinc/90/55/04/593905504.db2.gz QNXIAZWZPINRJH-UHFFFAOYSA-N 0 3 325.369 1.267 20 5 EDBDHN COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821687624 593914674 /nfs/dbraw/zinc/91/46/74/593914674.db2.gz HXDKLJMTYORAIR-UHFFFAOYSA-N 0 3 335.368 1.155 20 5 EDBDHN COCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821687624 593914676 /nfs/dbraw/zinc/91/46/76/593914676.db2.gz HXDKLJMTYORAIR-UHFFFAOYSA-N 0 3 335.368 1.155 20 5 EDBDHN COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821687624 593914677 /nfs/dbraw/zinc/91/46/77/593914677.db2.gz HXDKLJMTYORAIR-UHFFFAOYSA-N 0 3 335.368 1.155 20 5 EDBDHN COCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821687624 593914680 /nfs/dbraw/zinc/91/46/80/593914680.db2.gz HXDKLJMTYORAIR-UHFFFAOYSA-N 0 3 335.368 1.155 20 5 EDBDHN O=C(NC[C@@H]1CCCCN1CCO)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821051668 593953764 /nfs/dbraw/zinc/95/37/64/593953764.db2.gz FQLMKGKAUGFQFL-ULQDDVLXSA-N 0 3 347.415 1.661 20 5 EDBDHN CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821189312 593986184 /nfs/dbraw/zinc/98/61/84/593986184.db2.gz KRAZUWAXHBQWIX-LBPRGKRZSA-N 0 3 345.407 1.943 20 5 EDBDHN CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821189312 593986185 /nfs/dbraw/zinc/98/61/85/593986185.db2.gz KRAZUWAXHBQWIX-LBPRGKRZSA-N 0 3 345.407 1.943 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C(=O)NCCOCCN(C)C)cc1Cl ZINC000836780773 594997184 /nfs/dbraw/zinc/99/71/84/594997184.db2.gz IRAZEVBKMQJUBH-UHFFFAOYSA-N 0 3 329.784 1.865 20 5 EDBDHN O=[N+]([O-])c1cc(-c2noc([C@]3(F)CCNC3)n2)ccc1-n1cncn1 ZINC000843237886 595046488 /nfs/dbraw/zinc/04/64/88/595046488.db2.gz WZUQLNOHMCQYAO-AWEZNQCLSA-N 0 3 345.294 1.384 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837238899 595064065 /nfs/dbraw/zinc/06/40/65/595064065.db2.gz CQQJNCZMYHQNGH-UHFFFAOYSA-N 0 3 338.364 1.892 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842481707 595117565 /nfs/dbraw/zinc/11/75/65/595117565.db2.gz NKOFAEASYPQVFD-SNVBAGLBSA-N 0 3 347.824 1.977 20 5 EDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CNCCC1(F)F ZINC000843485255 595125845 /nfs/dbraw/zinc/12/58/45/595125845.db2.gz UHXSADWYCAUJQY-LLVKDONJSA-N 0 3 333.266 1.226 20 5 EDBDHN CC(C)(C)[C@H](O)C[C@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843103568 595287779 /nfs/dbraw/zinc/28/77/79/595287779.db2.gz BKQCQWYGCHEGCJ-VHDGCEQUSA-N 0 3 326.393 1.376 20 5 EDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCO2 ZINC000852782798 595541094 /nfs/dbraw/zinc/54/10/94/595541094.db2.gz TXDUDVGKPPGNLN-LRDDRELGSA-N 0 3 346.387 1.828 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000858643061 595853976 /nfs/dbraw/zinc/85/39/76/595853976.db2.gz VUMHQSUKTQYINS-DTWKUNHWSA-N 0 3 333.797 1.585 20 5 EDBDHN COc1cc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000853694987 595857256 /nfs/dbraw/zinc/85/72/56/595857256.db2.gz XIPRFJVLQVTXCJ-LBPRGKRZSA-N 0 3 339.392 1.871 20 5 EDBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000120044473 596238968 /nfs/dbraw/zinc/23/89/68/596238968.db2.gz DHPNPIAAVPRFIO-ZYHUDNBSSA-N 0 3 345.446 1.761 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCN3C)C2)c([N+](=O)[O-])s1 ZINC000867811437 596563491 /nfs/dbraw/zinc/56/34/91/596563491.db2.gz PQFHGRUKXQRORP-WDEREUQCSA-N 0 3 345.446 1.679 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000869779641 596631238 /nfs/dbraw/zinc/63/12/38/596631238.db2.gz BTKUQYMQZZCXKH-NSHDSACASA-N 0 3 325.340 1.309 20 5 EDBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119716973 596714915 /nfs/dbraw/zinc/71/49/15/596714915.db2.gz QHICEBFWDXJRKP-UHFFFAOYSA-N 0 3 333.435 1.619 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878022016 597569977 /nfs/dbraw/zinc/56/99/77/597569977.db2.gz VEYVNANGIYZEJG-GFCCVEGCSA-N 0 3 349.387 1.970 20 5 EDBDHN Nc1ccc(N[C@H]2CCCN(CCN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000882988036 597608169 /nfs/dbraw/zinc/60/81/69/597608169.db2.gz XENZHVJDGQIGDP-HNNXBMFYSA-N 0 3 349.435 1.386 20 5 EDBDHN COc1cccc([C@H]2CN(Cc3cn(C)nc3[N+](=O)[O-])CCN2)c1 ZINC000879522156 597615952 /nfs/dbraw/zinc/61/59/52/597615952.db2.gz GGYYANHKISWYML-OAHLLOKOSA-N 0 3 331.376 1.483 20 5 EDBDHN COc1cccc([C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2)c1 ZINC000879523908 597617376 /nfs/dbraw/zinc/61/73/76/597617376.db2.gz HHWFQACAPXHRAK-MRXNPFEDSA-N 0 3 331.376 1.446 20 5 EDBDHN O=C(N[C@@H](CO)CN1CCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000879991345 597799940 /nfs/dbraw/zinc/79/99/40/597799940.db2.gz WKLGUASICSQWOX-CQSZACIVSA-N 0 3 343.383 1.935 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738358924 599519581 /nfs/dbraw/zinc/51/95/81/599519581.db2.gz FDSWFVZUEMSTSM-OAHLLOKOSA-N 0 3 340.343 1.598 20 5 EDBDHN CCOc1cccc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001002783328 709389523 /nfs/dbraw/zinc/38/95/23/709389523.db2.gz QTFPQBPSRPPGQB-HUUCEWRRSA-N 0 3 348.403 1.226 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)C2CC=CC2)CC1 ZINC001034611891 710286496 /nfs/dbraw/zinc/28/64/96/710286496.db2.gz DAEJBZJDAVOQJS-HDJSIYSDSA-N 0 3 347.419 1.812 20 5 EDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000174723300 529468371 /nfs/dbraw/zinc/46/83/71/529468371.db2.gz JZVJELKNNRGUSQ-GFCCVEGCSA-N 0 3 335.408 1.875 20 5 EDBDHN C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000102331985 219195831 /nfs/dbraw/zinc/19/58/31/219195831.db2.gz BRFYSAUNASLNOH-OLZOCXBDSA-N 0 3 337.424 1.763 20 5 EDBDHN COC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000066835950 215084633 /nfs/dbraw/zinc/08/46/33/215084633.db2.gz MIYCKLHSHAZCMV-LBPRGKRZSA-N 0 3 335.360 1.808 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N(C)CCN2CCCC2)cc([N+](=O)[O-])c1 ZINC000103120396 219256630 /nfs/dbraw/zinc/25/66/30/219256630.db2.gz FTWIBYOEZJRYOX-UHFFFAOYSA-N 0 3 349.387 1.939 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000183386030 235041206 /nfs/dbraw/zinc/04/12/06/235041206.db2.gz YZNMGHWXOHNMHK-KRWDZBQOSA-N 0 3 346.431 1.642 20 5 EDBDHN Cn1ccnc1C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090591636 138279878 /nfs/dbraw/zinc/27/98/78/138279878.db2.gz VGDNXMFZFAQLSC-AWEZNQCLSA-N 0 3 345.403 1.445 20 5 EDBDHN N=C(NO)[C@@H]1CCCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000372307756 283263064 /nfs/dbraw/zinc/26/30/64/283263064.db2.gz GJTAFHGVQOVKRE-AWEZNQCLSA-N 0 3 347.375 1.294 20 5 EDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000246663527 139116925 /nfs/dbraw/zinc/11/69/25/139116925.db2.gz LTRGFXOPGJLJPC-KBPBESRZSA-N 0 3 333.388 1.916 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000012141037 211303583 /nfs/dbraw/zinc/30/35/83/211303583.db2.gz HQFSMFGNJKDQBP-UHFFFAOYSA-N 0 3 329.422 1.832 20 5 EDBDHN CNC(=O)[C@H](C)CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093898685 218256838 /nfs/dbraw/zinc/25/68/38/218256838.db2.gz FYGGWXMONDRHNW-GFCCVEGCSA-N 0 3 345.403 1.809 20 5 EDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262275012 139265740 /nfs/dbraw/zinc/26/57/40/139265740.db2.gz TVCUFELUFMWSIB-HDMKZQKVSA-N 0 3 347.415 1.786 20 5 EDBDHN CN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCN(C)C1 ZINC000153596215 224127751 /nfs/dbraw/zinc/12/77/51/224127751.db2.gz RFNFYNZJEYWEOK-GFCCVEGCSA-N 0 3 348.359 1.055 20 5 EDBDHN CN(C)[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000153609898 224129554 /nfs/dbraw/zinc/12/95/54/224129554.db2.gz XHLIWDBCTCMRLO-AWEZNQCLSA-N 0 3 327.406 1.451 20 5 EDBDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000112549356 220346955 /nfs/dbraw/zinc/34/69/55/220346955.db2.gz QXFMAIPIFPVCRB-GWCFXTLKSA-N 0 3 344.375 1.426 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491508309 255127272 /nfs/dbraw/zinc/12/72/72/255127272.db2.gz WYWQUWZVHSVHAC-XITLMJRVSA-N 0 3 333.388 1.835 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264182729 139385143 /nfs/dbraw/zinc/38/51/43/139385143.db2.gz MWZJCRPFFVBROD-UHFFFAOYSA-N 0 3 334.376 1.726 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CN1C1CC1 ZINC000271340566 140281209 /nfs/dbraw/zinc/28/12/09/140281209.db2.gz UAKYULFAHWRVFB-WCBMZHEXSA-N 0 3 347.400 1.955 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN1C ZINC000332353315 141167551 /nfs/dbraw/zinc/16/75/51/141167551.db2.gz YWYUPCIDFRJFGE-GXTWGEPZSA-N 0 3 343.387 1.993 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N(C)C1 ZINC000346697284 143233323 /nfs/dbraw/zinc/23/33/23/143233323.db2.gz BTQBUPBMTZLPHE-OLZOCXBDSA-N 0 3 346.387 1.867 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347075206 143279614 /nfs/dbraw/zinc/27/96/14/143279614.db2.gz AGFFSFFHDDYZHZ-QMTHXVAHSA-N 0 3 325.340 1.261 20 5 EDBDHN CC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)nn(C)c1C ZINC000347950194 143382887 /nfs/dbraw/zinc/38/28/87/143382887.db2.gz CHKUGOQNXUVZOO-ZIAGYGMSSA-N 0 3 336.396 1.243 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCOC(F)F)cc1 ZINC000573238031 306616393 /nfs/dbraw/zinc/61/63/93/306616393.db2.gz KOWKYJOEXGTYED-UHFFFAOYSA-N 0 3 338.332 1.587 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355317970 150214087 /nfs/dbraw/zinc/21/40/87/150214087.db2.gz KXXDDLHHPWRKGZ-CVEARBPZSA-N 0 3 333.388 1.838 20 5 EDBDHN CCN1CCN(CCCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000357647901 151100552 /nfs/dbraw/zinc/10/05/52/151100552.db2.gz YHRXCZOHPIHXFX-UHFFFAOYSA-N 0 3 334.420 1.742 20 5 EDBDHN C[C@@H](NC(=O)N[C@@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000417137840 304376842 /nfs/dbraw/zinc/37/68/42/304376842.db2.gz NFBLFXHFBHCOLP-BXKDBHETSA-N 0 3 328.319 1.952 20 5 EDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](CO)[C@H]2CCOC2)c1 ZINC000360769814 152197394 /nfs/dbraw/zinc/19/73/94/152197394.db2.gz CGJNMTMGZFOWDS-CMPLNLGQSA-N 0 3 346.330 1.931 20 5 EDBDHN N[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccc(F)cc1 ZINC000364206015 153173319 /nfs/dbraw/zinc/17/33/19/153173319.db2.gz LKZSOUBJHPWVIY-CABCVRRESA-N 0 3 347.350 1.274 20 5 EDBDHN CN1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000364861250 153353048 /nfs/dbraw/zinc/35/30/48/153353048.db2.gz ZAFHQOIBXWQWGM-HUUCEWRRSA-N 0 3 339.417 1.842 20 5 EDBDHN O=C(NCc1cnc2n1CCCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000367489792 154146018 /nfs/dbraw/zinc/14/60/18/154146018.db2.gz LOKXEDPURCFCCT-UHFFFAOYSA-N 0 3 340.343 1.934 20 5 EDBDHN Cn1cc([C@H](O)C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000378361194 158152514 /nfs/dbraw/zinc/15/25/14/158152514.db2.gz DTWQPBZZNLKICC-DZGCQCFKSA-N 0 3 334.380 1.113 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000378611922 158219121 /nfs/dbraw/zinc/21/91/21/158219121.db2.gz QNGUXOGRSKDWFM-LLVKDONJSA-N 0 3 345.359 1.298 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000365184092 162353731 /nfs/dbraw/zinc/35/37/31/162353731.db2.gz RSBFWBZGYAEOGG-CQSZACIVSA-N 0 3 349.387 1.587 20 5 EDBDHN C[C@H](NC(=O)N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000418229428 304467195 /nfs/dbraw/zinc/46/71/95/304467195.db2.gz GWWVJFHPVHBAJC-JOYOIKCWSA-N 0 3 328.319 1.952 20 5 EDBDHN COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000160149412 225348083 /nfs/dbraw/zinc/34/80/83/225348083.db2.gz GLRCSBMBLQLFGF-UHFFFAOYSA-N 0 3 325.365 1.302 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000120716509 287363972 /nfs/dbraw/zinc/36/39/72/287363972.db2.gz WGLJCUYGTIASGO-HNNXBMFYSA-N 0 3 335.404 1.673 20 5 EDBDHN CN(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000169677314 226554919 /nfs/dbraw/zinc/55/49/19/226554919.db2.gz ZKBJJKRIMDDCOZ-WBVHZDCISA-N 0 3 346.431 1.804 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)NCCCO)CC1 ZINC000273380119 273036054 /nfs/dbraw/zinc/03/60/54/273036054.db2.gz CBEFEARKDFAXEV-UHFFFAOYSA-N 0 3 335.404 1.614 20 5 EDBDHN CS[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000273862117 273058196 /nfs/dbraw/zinc/05/81/96/273058196.db2.gz ONTDUQBXMNLZAX-RYUDHWBXSA-N 0 3 325.394 1.499 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000274453239 273091423 /nfs/dbraw/zinc/09/14/23/273091423.db2.gz JDSJLLRUHXMBNQ-NSHDSACASA-N 0 3 334.380 1.569 20 5 EDBDHN CN1CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277696097 273218176 /nfs/dbraw/zinc/21/81/76/273218176.db2.gz CRXMMSBQJKUCBV-UHFFFAOYSA-N 0 3 332.364 1.365 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000284734241 274312425 /nfs/dbraw/zinc/31/24/25/274312425.db2.gz KMFPKJCRUHEERC-DJIMGWMZSA-N 0 3 336.388 1.978 20 5 EDBDHN O=[N+]([O-])c1ccc(CCN2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC000375000478 275035165 /nfs/dbraw/zinc/03/51/65/275035165.db2.gz WUANAHJCKSUHCQ-UHFFFAOYSA-N 0 3 349.431 1.296 20 5 EDBDHN CCN1CCC[C@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000186202841 276187462 /nfs/dbraw/zinc/18/74/62/276187462.db2.gz QSZXUWINEKXYFS-HNNXBMFYSA-N 0 3 341.433 1.541 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]21 ZINC000368591207 277143759 /nfs/dbraw/zinc/14/37/59/277143759.db2.gz MCHPRDOJBZICHJ-QMTHXVAHSA-N 0 3 334.332 1.669 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000193244432 278798650 /nfs/dbraw/zinc/79/86/50/278798650.db2.gz PBGBEPOXDZPWIE-LBPRGKRZSA-N 0 3 327.406 1.490 20 5 EDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346224509 279007793 /nfs/dbraw/zinc/00/77/93/279007793.db2.gz NWKUNOOZBJQGQO-YWPYICTPSA-N 0 3 332.404 1.979 20 5 EDBDHN CC(C)C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111829754 279141922 /nfs/dbraw/zinc/14/19/22/279141922.db2.gz FBQMXZNHSNRWPH-SECBINFHSA-N 0 3 335.813 1.900 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[NH2+]C2)c1 ZINC000193234320 301424569 /nfs/dbraw/zinc/42/45/69/301424569.db2.gz CTZQOOCUVIXWRR-SECBINFHSA-N 0 3 333.797 1.587 20 5 EDBDHN C[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000295041189 303166272 /nfs/dbraw/zinc/16/62/72/303166272.db2.gz SCHQDBXYIZKWHS-WFASDCNBSA-N 0 3 333.388 1.966 20 5 EDBDHN COc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000295120733 303175581 /nfs/dbraw/zinc/17/55/81/303175581.db2.gz MIVGVKWSDFPCDZ-ZANVPECISA-N 0 3 337.351 1.955 20 5 EDBDHN O=C(N[C@@H]1CCCN(CCCO)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000295341691 303207021 /nfs/dbraw/zinc/20/70/21/303207021.db2.gz DRSSCKBUAMCEOU-GFCCVEGCSA-N 0 3 346.387 1.653 20 5 EDBDHN O=C(CN1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301171725 303664603 /nfs/dbraw/zinc/66/46/03/303664603.db2.gz FFZGMRYPSHODAK-UHFFFAOYSA-N 0 3 336.367 1.478 20 5 EDBDHN COC[C@@H](O)CN1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301876310 303701216 /nfs/dbraw/zinc/70/12/16/303701216.db2.gz NFBBQPBOAAVNDP-LBPRGKRZSA-N 0 3 327.356 1.618 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000430242130 305048485 /nfs/dbraw/zinc/04/84/85/305048485.db2.gz IDCHHUGVRQJQEP-ZDUSSCGKSA-N 0 3 337.420 1.880 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-]C(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000431043605 305073673 /nfs/dbraw/zinc/07/36/73/305073673.db2.gz RHGCOVFHAQRRMQ-UHFFFAOYSA-N 0 3 349.384 1.538 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)C[C@H](O)C1 ZINC000452064313 305381499 /nfs/dbraw/zinc/38/14/99/305381499.db2.gz FEKFKHJOFDSATB-AAEUAGOBSA-N 0 3 337.376 1.635 20 5 EDBDHN CC(C)N1CC[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000452115135 305383636 /nfs/dbraw/zinc/38/36/36/305383636.db2.gz LCXUFSPNYLQHRM-MRXNPFEDSA-N 0 3 346.431 1.898 20 5 EDBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1F ZINC000452350862 305391696 /nfs/dbraw/zinc/39/16/96/305391696.db2.gz OWZJBEMMLIXGDB-GFCCVEGCSA-N 0 3 325.340 1.311 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCCN1CCCO ZINC000452365122 305393120 /nfs/dbraw/zinc/39/31/20/305393120.db2.gz NIYNKXVSLSEHHY-AWEZNQCLSA-N 0 3 339.367 1.239 20 5 EDBDHN Cc1nn(CCC(=O)N2CCCC[C@H]2CN(C)C)c(C)c1[N+](=O)[O-] ZINC000517862692 305757107 /nfs/dbraw/zinc/75/71/07/305757107.db2.gz WXVVZJNHVUDYGD-AWEZNQCLSA-N 0 3 337.424 1.741 20 5 EDBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000449937441 447415246 /nfs/dbraw/zinc/41/52/46/447415246.db2.gz BZNZLPFAOMXFSK-ZJUUUORDSA-N 0 3 325.340 1.955 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000104748477 441203611 /nfs/dbraw/zinc/20/36/11/441203611.db2.gz NSXVRKUHZKBCQJ-LLVKDONJSA-N 0 3 343.405 1.176 20 5 EDBDHN CC(=O)N1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026339911 441375001 /nfs/dbraw/zinc/37/50/01/441375001.db2.gz RNROOWLGXCRVSE-UHFFFAOYSA-N 0 3 334.376 1.478 20 5 EDBDHN Cc1c(C(=O)NCCCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000041362207 441647214 /nfs/dbraw/zinc/64/72/14/441647214.db2.gz SOQHURYKCAEANE-UHFFFAOYSA-N 0 3 334.420 1.661 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000041443327 441654591 /nfs/dbraw/zinc/65/45/91/441654591.db2.gz GZZCEAWEUSKMPD-UHFFFAOYSA-N 0 3 334.420 1.661 20 5 EDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000115438909 441741375 /nfs/dbraw/zinc/74/13/75/441741375.db2.gz CWVRSIQHDUJHSH-NSHDSACASA-N 0 3 331.376 1.885 20 5 EDBDHN COCCN1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000138598368 441794694 /nfs/dbraw/zinc/79/46/94/441794694.db2.gz SJOFFTVEKVUQIJ-UHFFFAOYSA-N 0 3 347.375 1.312 20 5 EDBDHN CC1CCN(C(=O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000174863484 441977008 /nfs/dbraw/zinc/97/70/08/441977008.db2.gz MQQBOBHQQXQVQK-UHFFFAOYSA-N 0 3 349.435 1.762 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCN(c3ccccc3)CC2)c1 ZINC000174743685 441963186 /nfs/dbraw/zinc/96/31/86/441963186.db2.gz UWKAKYZXQYLMBH-KRWDZBQOSA-N 0 3 345.403 1.365 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000069527666 441965481 /nfs/dbraw/zinc/96/54/81/441965481.db2.gz QGDKKMPFFSTGDE-CQSZACIVSA-N 0 3 337.376 1.201 20 5 EDBDHN CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCN(C)C1 ZINC000151114249 442008274 /nfs/dbraw/zinc/00/82/74/442008274.db2.gz XMLJTFVAFDCUSV-LBPRGKRZSA-N 0 3 344.371 1.603 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000162042141 442057531 /nfs/dbraw/zinc/05/75/31/442057531.db2.gz RRFDVXLLOQTYHU-WCQYABFASA-N 0 3 339.392 1.927 20 5 EDBDHN COCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000152469370 442217002 /nfs/dbraw/zinc/21/70/02/442217002.db2.gz FLMPCCFHBICWCI-UHFFFAOYSA-N 0 3 325.365 1.302 20 5 EDBDHN CN(C)CCN(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000128468930 442268578 /nfs/dbraw/zinc/26/85/78/442268578.db2.gz DJCPEOQIYYIOIS-UHFFFAOYSA-N 0 3 336.392 1.065 20 5 EDBDHN Cc1nn(C)c(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000128561422 442274944 /nfs/dbraw/zinc/27/49/44/442274944.db2.gz UQGJWRJPAXACPK-TUAOUCFPSA-N 0 3 337.424 1.733 20 5 EDBDHN CCN1CCN(CCNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186336809 442514944 /nfs/dbraw/zinc/51/49/44/442514944.db2.gz ACXFXMYFFDHGJV-CCEZHUSRSA-N 0 3 346.431 1.752 20 5 EDBDHN CC(C)(C)[C@@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000193096894 442712711 /nfs/dbraw/zinc/71/27/11/442712711.db2.gz CMJRMQDJHLHSIC-CYBMUJFWSA-N 0 3 330.406 1.365 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H]1C(=O)NCC[C@H]1C ZINC000193624725 442760836 /nfs/dbraw/zinc/76/08/36/442760836.db2.gz PGTGZNUYSZKKFB-BMIGLBTASA-N 0 3 334.376 1.346 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000268160522 442877672 /nfs/dbraw/zinc/87/76/72/442877672.db2.gz XAQXBTDLQKBDNE-SWLSCSKDSA-N 0 3 347.419 1.789 20 5 EDBDHN COc1cc(OCC(=O)N2CCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000268212384 442902264 /nfs/dbraw/zinc/90/22/64/442902264.db2.gz VPIBTXLMFHGAHM-GFCCVEGCSA-N 0 3 337.376 1.535 20 5 EDBDHN COC[C@H](CCO)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000265762257 442911650 /nfs/dbraw/zinc/91/16/50/442911650.db2.gz KHJGJRDYPQJXMY-AWEZNQCLSA-N 0 3 334.376 1.482 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000189443493 442954982 /nfs/dbraw/zinc/95/49/82/442954982.db2.gz DSVCCXFFZPQJGU-ZDUSSCGKSA-N 0 3 349.435 1.379 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000265939137 442976262 /nfs/dbraw/zinc/97/62/62/442976262.db2.gz FPXCGLNGZNRJHV-LLVKDONJSA-N 0 3 342.421 1.020 20 5 EDBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000189891246 443024953 /nfs/dbraw/zinc/02/49/53/443024953.db2.gz NIPKNIAMNSBJEC-AWEZNQCLSA-N 0 3 337.420 1.751 20 5 EDBDHN C[C@H](O)CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000253356042 443050188 /nfs/dbraw/zinc/05/01/88/443050188.db2.gz XOUAWQPFAKDDMV-CABCVRRESA-N 0 3 337.420 1.751 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000189958334 443038281 /nfs/dbraw/zinc/03/82/81/443038281.db2.gz JMRQIQZOJXKBIQ-CYBMUJFWSA-N 0 3 341.433 1.832 20 5 EDBDHN NC(=O)c1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000296359667 318688999 /nfs/dbraw/zinc/68/89/99/318688999.db2.gz SAECFCQVZGTMAK-CFVMTHIKSA-N 0 3 331.372 1.741 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000184581317 443044092 /nfs/dbraw/zinc/04/40/92/443044092.db2.gz DHKRGEYVHAWATA-GFCCVEGCSA-N 0 3 336.396 1.137 20 5 EDBDHN CCc1ccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000304520356 318920326 /nfs/dbraw/zinc/92/03/26/318920326.db2.gz KAEMZLBDYSZYIO-MRXNPFEDSA-N 0 3 349.431 1.980 20 5 EDBDHN COCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000266534601 443159935 /nfs/dbraw/zinc/15/99/35/443159935.db2.gz NQNVLBIENIMOMZ-YOEHRIQHSA-N 0 3 348.403 1.862 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CCN2CCCC2)c1F ZINC000412001818 319220305 /nfs/dbraw/zinc/22/03/05/319220305.db2.gz IHIWKAFBACUWDE-UHFFFAOYSA-N 0 3 339.367 1.839 20 5 EDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000414090463 319317129 /nfs/dbraw/zinc/31/71/29/319317129.db2.gz KIQYWVGDFXHQPA-WOPDTQHZSA-N 0 3 327.406 1.507 20 5 EDBDHN CCN1CCC[C@H]1CN(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000266983478 443308445 /nfs/dbraw/zinc/30/84/45/443308445.db2.gz FBJOCKCRUKGKQW-AWEZNQCLSA-N 0 3 349.387 1.729 20 5 EDBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000269745490 443421936 /nfs/dbraw/zinc/42/19/36/443421936.db2.gz XRXZOGGVFLQNRI-CQSZACIVSA-N 0 3 348.403 1.233 20 5 EDBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000278804582 443446197 /nfs/dbraw/zinc/44/61/97/443446197.db2.gz NXHSWZDQGHIPOT-GFCCVEGCSA-N 0 3 348.403 1.383 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278816399 443450759 /nfs/dbraw/zinc/45/07/59/443450759.db2.gz ZAWAKTVILPVSJY-UHFFFAOYSA-N 0 3 346.391 1.707 20 5 EDBDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000265008686 443507364 /nfs/dbraw/zinc/50/73/64/443507364.db2.gz WPXHLINERZWAKQ-VXGBXAGGSA-N 0 3 347.371 1.675 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000291007356 443731259 /nfs/dbraw/zinc/73/12/59/443731259.db2.gz CNXYWVDEVZEGOZ-UHFFFAOYSA-N 0 3 345.359 1.611 20 5 EDBDHN COc1ccc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000283825838 443733142 /nfs/dbraw/zinc/73/31/42/443733142.db2.gz DPGPNMVHVIYEOV-DOMZBBRYSA-N 0 3 326.393 1.851 20 5 EDBDHN COC(=O)[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000280752501 443743595 /nfs/dbraw/zinc/74/35/95/443743595.db2.gz NLLNPGJEJFIBEC-OSAQELSMSA-N 0 3 338.360 1.075 20 5 EDBDHN CCN1CC[C@H]2OCCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000292722867 443826716 /nfs/dbraw/zinc/82/67/16/443826716.db2.gz HOVUPZKLDAANSH-QWHCGFSZSA-N 0 3 326.784 1.943 20 5 EDBDHN COC(=O)c1cnc(N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000276748843 443811624 /nfs/dbraw/zinc/81/16/24/443811624.db2.gz HJJSPDJBAMAKQZ-CYBMUJFWSA-N 0 3 334.376 1.841 20 5 EDBDHN Cc1cc(OCC(=O)N2CCO[C@@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000281275763 443867044 /nfs/dbraw/zinc/86/70/44/443867044.db2.gz GIJLYYKEMOIHLK-AWEZNQCLSA-N 0 3 337.376 1.071 20 5 EDBDHN COC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000542524422 320782184 /nfs/dbraw/zinc/78/21/84/320782184.db2.gz BBNDHHQACKAIEX-CYBMUJFWSA-N 0 3 325.365 1.803 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)Cc1ccccc1 ZINC000293210310 443952424 /nfs/dbraw/zinc/95/24/24/443952424.db2.gz GGUOELRFWJDXPE-MRXNPFEDSA-N 0 3 331.372 1.292 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000565672901 321197113 /nfs/dbraw/zinc/19/71/13/321197113.db2.gz NDRJDYRCIVXGGP-JKSUJKDBSA-N 0 3 338.404 1.626 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCCN3c4ccccc4C[C@@H]3C2)n1 ZINC000289451428 444148034 /nfs/dbraw/zinc/14/80/34/444148034.db2.gz LBULGTACEWQZCR-OAHLLOKOSA-N 0 3 327.388 1.928 20 5 EDBDHN Cc1cc(=O)n(C[C@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000305078562 444256898 /nfs/dbraw/zinc/25/68/98/444256898.db2.gz RFNHODPAAUQFKN-OAHLLOKOSA-N 0 3 331.372 1.558 20 5 EDBDHN CN1CCC[C@H](N2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000305176554 444263131 /nfs/dbraw/zinc/26/31/31/444263131.db2.gz LPSJLJCWGUMNAP-ROUUACIJSA-N 0 3 348.447 1.340 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000290806855 444325877 /nfs/dbraw/zinc/32/58/77/444325877.db2.gz NPAYMKZDKABFIY-CQSZACIVSA-N 0 3 346.387 1.402 20 5 EDBDHN CC[C@@](C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000581127114 322138878 /nfs/dbraw/zinc/13/88/78/322138878.db2.gz KSBSKWNTAZGQCX-AWEZNQCLSA-N 0 3 330.406 1.773 20 5 EDBDHN C[C@@H](CN(C)C)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000343804828 444602293 /nfs/dbraw/zinc/60/22/93/444602293.db2.gz JVGNYQLYSHQVTR-LBPRGKRZSA-N 0 3 336.392 1.429 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000334042497 444758579 /nfs/dbraw/zinc/75/85/79/444758579.db2.gz PWZNXMVKEJUMNQ-OBJOEFQTSA-N 0 3 348.403 1.312 20 5 EDBDHN CN(C)CCO[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000342633696 444789023 /nfs/dbraw/zinc/78/90/23/444789023.db2.gz JDQLXSKQSZDSHL-SNVBAGLBSA-N 0 3 337.405 1.756 20 5 EDBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCN2CCC[C@H]2C1 ZINC000619153812 450418172 /nfs/dbraw/zinc/41/81/72/450418172.db2.gz MYVVQIPYYMKLJP-INIZCTEOSA-N 0 3 346.431 1.711 20 5 EDBDHN CN(C)CCOCCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338751770 444837226 /nfs/dbraw/zinc/83/72/26/444837226.db2.gz WIMCDMBBNRRPNU-UHFFFAOYSA-N 0 3 338.408 1.357 20 5 EDBDHN CS(=O)(=O)NC[C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000337294641 445020406 /nfs/dbraw/zinc/02/04/06/445020406.db2.gz NLYYDEJVGMRGPB-RISCZKNCSA-N 0 3 345.396 1.541 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000341865114 445041172 /nfs/dbraw/zinc/04/11/72/445041172.db2.gz FRZIEFUVNCHEIE-CYBMUJFWSA-N 0 3 346.387 1.917 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348173830 445303780 /nfs/dbraw/zinc/30/37/80/445303780.db2.gz WRJNGAOFRAFNJZ-VXGBXAGGSA-N 0 3 334.376 1.346 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)c1 ZINC000351902345 445364538 /nfs/dbraw/zinc/36/45/38/445364538.db2.gz IOWIHUXADLFYJC-FZMZJTMJSA-N 0 3 341.433 1.782 20 5 EDBDHN C[C@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N(C)C1CC1 ZINC000357998789 445598904 /nfs/dbraw/zinc/59/89/04/445598904.db2.gz DMSVIXXBOIUPME-GFCCVEGCSA-N 0 3 348.403 1.982 20 5 EDBDHN Cc1cc(NC[C@H](CO)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360275746 445671556 /nfs/dbraw/zinc/67/15/56/445671556.db2.gz SOFJMYQPCPVKTA-CHWSQXEVSA-N 0 3 331.372 1.930 20 5 EDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363325928 445766656 /nfs/dbraw/zinc/76/66/56/445766656.db2.gz MTWCKUFZVKCPNS-KBPBESRZSA-N 0 3 349.387 1.343 20 5 EDBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356733786 445976912 /nfs/dbraw/zinc/97/69/12/445976912.db2.gz UBALVZUOXDGAFR-UHFFFAOYSA-N 0 3 345.403 1.969 20 5 EDBDHN CN1CCC(N2CC[C@@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000369265365 446030908 /nfs/dbraw/zinc/03/09/08/446030908.db2.gz GDEIRPLQLDIRBJ-GFCCVEGCSA-N 0 3 338.433 1.555 20 5 EDBDHN COc1ccc(CC(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000583262532 326037766 /nfs/dbraw/zinc/03/77/66/326037766.db2.gz JQFMBZWIGURQQV-LBPRGKRZSA-N 0 3 329.303 1.259 20 5 EDBDHN CC[C@H](O)CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583812377 326144688 /nfs/dbraw/zinc/14/46/88/326144688.db2.gz DWMPUAHRGVTOGO-ZDUSSCGKSA-N 0 3 330.406 1.509 20 5 EDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000366190575 446072617 /nfs/dbraw/zinc/07/26/17/446072617.db2.gz HOLAJOCLQKLWDF-GFCCVEGCSA-N 0 3 325.390 1.639 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000366197117 446077723 /nfs/dbraw/zinc/07/77/23/446077723.db2.gz ANXXFBQGAFBBPK-OAHLLOKOSA-N 0 3 333.388 1.886 20 5 EDBDHN CC[C@H](C)N[C@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000359541845 446282429 /nfs/dbraw/zinc/28/24/29/446282429.db2.gz LPDPFDIKVIIKBV-WCQYABFASA-N 0 3 349.391 1.938 20 5 EDBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccco1 ZINC000359559807 446290999 /nfs/dbraw/zinc/29/09/99/446290999.db2.gz PMHAWRFYIBTSRN-MNOVXSKESA-N 0 3 335.364 1.781 20 5 EDBDHN NC(=O)c1ccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000367018867 446466016 /nfs/dbraw/zinc/46/60/16/446466016.db2.gz DEUPIOZPWVAJCU-KBPBESRZSA-N 0 3 346.387 1.184 20 5 EDBDHN CC(C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)S(C)(=O)=O ZINC000452860035 446486030 /nfs/dbraw/zinc/48/60/30/446486030.db2.gz SLZVYLWTYNZCOG-WCQYABFASA-N 0 3 340.401 1.734 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375041450 446536049 /nfs/dbraw/zinc/53/60/49/446536049.db2.gz QJNBUUVVAWARIF-BBRMVZONSA-N 0 3 332.404 1.949 20 5 EDBDHN CN1CC[C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@@H]21 ZINC000375233253 446659377 /nfs/dbraw/zinc/65/93/77/446659377.db2.gz JPMHKKIOIUPPBZ-HZMBPMFUSA-N 0 3 329.360 1.774 20 5 EDBDHN C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])[C@H]1CN ZINC000423723940 446661068 /nfs/dbraw/zinc/66/10/68/446661068.db2.gz GUIBFHSXAQALEW-DOMZBBRYSA-N 0 3 348.403 1.139 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000619254559 450435695 /nfs/dbraw/zinc/43/56/95/450435695.db2.gz MVIOVTLYMIUMSS-HNNXBMFYSA-N 0 3 341.795 1.777 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@]1(N2CCOCC2)CCCOC1 ZINC000368286396 446760534 /nfs/dbraw/zinc/76/05/34/446760534.db2.gz SOEDZCSBJKJHMN-GOSISDBHSA-N 0 3 349.431 1.874 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c(F)c1 ZINC000368812310 447124808 /nfs/dbraw/zinc/12/48/08/447124808.db2.gz MVABWAJQCIMKHM-LBPRGKRZSA-N 0 3 343.380 1.593 20 5 EDBDHN CC(C)(O)CN1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000372590610 447167175 /nfs/dbraw/zinc/16/71/75/447167175.db2.gz DCCPTFSVAQGLMH-UHFFFAOYSA-N 0 3 339.421 1.587 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2(N(C)C)CCC2)c1 ZINC000445732731 447189145 /nfs/dbraw/zinc/18/91/45/447189145.db2.gz KUUIKYMCMURXMW-UHFFFAOYSA-N 0 3 341.433 1.974 20 5 EDBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H](c4nc[nH]n4)C3)o2)cc1 ZINC000425556213 447229541 /nfs/dbraw/zinc/22/95/41/447229541.db2.gz ZROLGGVIGPLGAN-LLVKDONJSA-N 0 3 341.331 1.752 20 5 EDBDHN Cc1nc(N[C@@H](CC(C)C)C(=O)NCCN(C)C)ncc1[N+](=O)[O-] ZINC000450414484 447482243 /nfs/dbraw/zinc/48/22/43/447482243.db2.gz YIIUITATFYBJMT-LBPRGKRZSA-N 0 3 338.412 1.198 20 5 EDBDHN COCCNCCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420225163 447677692 /nfs/dbraw/zinc/67/76/92/447677692.db2.gz IJRGOTZELPDMHK-UHFFFAOYSA-N 0 3 331.376 1.430 20 5 EDBDHN C[C@H]1C[C@@H](O)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000452072856 447810613 /nfs/dbraw/zinc/81/06/13/447810613.db2.gz WFNKVVUEFJPANG-WCQYABFASA-N 0 3 335.360 1.596 20 5 EDBDHN C[C@H](C[C@H]1CCCO1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569650475 447857911 /nfs/dbraw/zinc/85/79/11/447857911.db2.gz LCQDZOOJPLVDRC-TZMCWYRMSA-N 0 3 342.417 1.916 20 5 EDBDHN CN1CCC[C@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000530768677 447953319 /nfs/dbraw/zinc/95/33/19/447953319.db2.gz HIIJRGRLEMJIRM-CYBMUJFWSA-N 0 3 335.408 1.648 20 5 EDBDHN CC1(C)[C@@H]2CN([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000525175111 447972887 /nfs/dbraw/zinc/97/28/87/447972887.db2.gz RMQLDACKHGUWKL-HZSPNIEDSA-N 0 3 329.356 1.815 20 5 EDBDHN COc1cc(C(=O)NCCN2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525804794 448028716 /nfs/dbraw/zinc/02/87/16/448028716.db2.gz RDDAAJQLXSHHBF-LLVKDONJSA-N 0 3 337.376 1.684 20 5 EDBDHN COc1cnccc1N1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000527029750 448143312 /nfs/dbraw/zinc/14/33/12/448143312.db2.gz NCGKOAYXRHPMKK-UHFFFAOYSA-N 0 3 345.359 1.299 20 5 EDBDHN CN(C)C1(CN(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000527325705 448210871 /nfs/dbraw/zinc/21/08/71/448210871.db2.gz XJDDRHHTLSBWRX-UHFFFAOYSA-N 0 3 328.394 1.095 20 5 EDBDHN NC(=O)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000591013306 448229925 /nfs/dbraw/zinc/22/99/25/448229925.db2.gz ZCTLODMTTKOVIU-UHFFFAOYSA-N 0 3 334.376 1.653 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000527459311 448230122 /nfs/dbraw/zinc/23/01/22/448230122.db2.gz NTPJRMFFVVPUBV-SNVBAGLBSA-N 0 3 338.339 1.130 20 5 EDBDHN CN1CC[C@@](O)(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000577225325 448242937 /nfs/dbraw/zinc/24/29/37/448242937.db2.gz OGWIIJQXZVRMNC-CHWSQXEVSA-N 0 3 333.310 1.854 20 5 EDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(c1)CNCC2 ZINC000591310681 448317805 /nfs/dbraw/zinc/31/78/05/448317805.db2.gz BEAOCLGXRZFCDV-UHFFFAOYSA-N 0 3 341.371 2.000 20 5 EDBDHN CN1CCC(CNc2sccc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000591186628 448282486 /nfs/dbraw/zinc/28/24/86/448282486.db2.gz ORMGNFZWCMXFPX-UHFFFAOYSA-N 0 3 340.449 1.865 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592523819 448877187 /nfs/dbraw/zinc/87/71/87/448877187.db2.gz QXCPHTPAKZRXRP-NSHDSACASA-N 0 3 340.811 1.800 20 5 EDBDHN COC(=O)[C@H]1CNCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592488525 448859009 /nfs/dbraw/zinc/85/90/09/448859009.db2.gz LAIRUAJRYFHSOH-CYBMUJFWSA-N 0 3 327.768 1.585 20 5 EDBDHN O=C(N[C@H](CO)CN1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588868819 448943459 /nfs/dbraw/zinc/94/34/59/448943459.db2.gz GTJJRWMBGGOFAG-LBPRGKRZSA-N 0 3 327.768 1.435 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000590443004 449164450 /nfs/dbraw/zinc/16/44/50/449164450.db2.gz CXGIYGIYMLZSNQ-ZWNOBZJWSA-N 0 3 333.344 1.142 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590447624 449168686 /nfs/dbraw/zinc/16/86/86/449168686.db2.gz ZLQWVRMNQPXSLQ-MEBBXXQBSA-N 0 3 342.355 1.625 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H]2CCCC[C@@H]12 ZINC000595736898 449138817 /nfs/dbraw/zinc/13/88/17/449138817.db2.gz NWKNTVWLKXMWFZ-MJBXVCDLSA-N 0 3 336.392 1.845 20 5 EDBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593114619 449141837 /nfs/dbraw/zinc/14/18/37/449141837.db2.gz CGEMSJQAFZWHJX-MLGOLLRUSA-N 0 3 348.378 1.953 20 5 EDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590563991 449192354 /nfs/dbraw/zinc/19/23/54/449192354.db2.gz BJZFLWRDZHWMCF-CVEARBPZSA-N 0 3 333.388 1.459 20 5 EDBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598065007 449225702 /nfs/dbraw/zinc/22/57/02/449225702.db2.gz SXOQPYMNUGCFJC-UHFFFAOYSA-N 0 3 344.375 1.355 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000601958286 449244845 /nfs/dbraw/zinc/24/48/45/449244845.db2.gz ZVWCEXOBSQXFJL-QGZVFWFLSA-N 0 3 329.356 1.394 20 5 EDBDHN CN(CCN1CCCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593882114 449260313 /nfs/dbraw/zinc/26/03/13/449260313.db2.gz CLMLQLDEDLQICL-UHFFFAOYSA-N 0 3 349.387 1.924 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@@H]2C1 ZINC000590765303 449286230 /nfs/dbraw/zinc/28/62/30/449286230.db2.gz DJKYLFUIFVEPRI-CZUORRHYSA-N 0 3 341.371 1.557 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cnccc2C(F)(F)F)c1 ZINC000596070178 449346742 /nfs/dbraw/zinc/34/67/42/449346742.db2.gz PFDSECANAZYVNM-LLVKDONJSA-N 0 3 345.281 1.356 20 5 EDBDHN O=C([C@@H]1CN2CCC[C@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602125985 449365326 /nfs/dbraw/zinc/36/53/26/449365326.db2.gz UUQUOCASRHPAKI-RDJZCZTQSA-N 0 3 345.399 1.949 20 5 EDBDHN CCN(CC)CC(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600541166 449432584 /nfs/dbraw/zinc/43/25/84/449432584.db2.gz OLJBQKQTORPSGA-MRXNPFEDSA-N 0 3 337.376 1.441 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594202827 449389384 /nfs/dbraw/zinc/38/93/84/449389384.db2.gz SKAPYYHMTMQGTM-UONOGXRCSA-N 0 3 335.408 1.623 20 5 EDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598536635 449452783 /nfs/dbraw/zinc/45/27/83/449452783.db2.gz UXPZXJGHLQKVGF-NSHDSACASA-N 0 3 337.380 1.033 20 5 EDBDHN O=[N+]([O-])c1c(N[C@@H]2CCN(CC3CC3)C2)ncnc1N1CCOCC1 ZINC000598595960 449482612 /nfs/dbraw/zinc/48/26/12/449482612.db2.gz MGTMATPJPNCNHR-CYBMUJFWSA-N 0 3 348.407 1.118 20 5 EDBDHN CCCN1CC[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598634063 449508967 /nfs/dbraw/zinc/50/89/67/449508967.db2.gz LNFVQIQPLIJXEG-GFCCVEGCSA-N 0 3 336.396 1.118 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(CCOC2)CC1 ZINC000612110665 449568234 /nfs/dbraw/zinc/56/82/34/449568234.db2.gz SUEAEIMLXLSMBV-AWEZNQCLSA-N 0 3 336.388 1.837 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)cc1OC(F)F ZINC000594604135 449590778 /nfs/dbraw/zinc/59/07/78/449590778.db2.gz RJLCZHWDGGTXLR-WDEREUQCSA-N 0 3 329.303 1.451 20 5 EDBDHN CN1CCN(CC2CN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000599105869 449737847 /nfs/dbraw/zinc/73/78/47/449737847.db2.gz HWFWLVJVELWTMG-UHFFFAOYSA-N 0 3 341.415 1.827 20 5 EDBDHN COCCN(C)CCN1C[C@@H](Nc2ccsc2[N+](=O)[O-])CC1=O ZINC000601177979 449736036 /nfs/dbraw/zinc/73/60/36/449736036.db2.gz GSRIOKSNSXFJJQ-NSHDSACASA-N 0 3 342.421 1.247 20 5 EDBDHN C[C@H](CNc1ccnc2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000601111262 449694698 /nfs/dbraw/zinc/69/46/98/449694698.db2.gz PWDGYKQLTFJDKZ-CYBMUJFWSA-N 0 3 329.404 1.613 20 5 EDBDHN COCCNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000612576545 449782090 /nfs/dbraw/zinc/78/20/90/449782090.db2.gz YWABFSOPBBOZQZ-UHFFFAOYSA-N 0 3 335.404 1.878 20 5 EDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@H]2CCN(C)C[C@H]2C1 ZINC000601185480 449739817 /nfs/dbraw/zinc/73/98/17/449739817.db2.gz VQDZUNWUQGXOFU-BDAKNGLRSA-N 0 3 333.314 1.735 20 5 EDBDHN NC(=O)[C@H]1C[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602722475 449767851 /nfs/dbraw/zinc/76/78/51/449767851.db2.gz DYGDOERHMFVTGD-IZLXSQMJSA-N 0 3 334.195 1.772 20 5 EDBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601319566 449828137 /nfs/dbraw/zinc/82/81/37/449828137.db2.gz OXTYQRFGSNAADH-LBPRGKRZSA-N 0 3 337.351 1.717 20 5 EDBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCCCC1 ZINC000595107949 449872688 /nfs/dbraw/zinc/87/26/88/449872688.db2.gz IRLNUALLJXRPQX-UHFFFAOYSA-N 0 3 328.394 1.320 20 5 EDBDHN CCN1[C@H](C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602874865 449882596 /nfs/dbraw/zinc/88/25/96/449882596.db2.gz UWGINJVAUDRICB-QLFBSQMISA-N 0 3 337.420 1.749 20 5 EDBDHN CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000595130012 449887977 /nfs/dbraw/zinc/88/79/77/449887977.db2.gz IHKKGBRIKIEFMJ-CQSZACIVSA-N 0 3 348.403 1.784 20 5 EDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595258050 449982074 /nfs/dbraw/zinc/98/20/74/449982074.db2.gz RAPQGNGRYKFNJW-OAHLLOKOSA-N 0 3 345.359 1.481 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599635938 450118478 /nfs/dbraw/zinc/11/84/78/450118478.db2.gz MHZVLMILVOVXSC-YSVLISHTSA-N 0 3 336.388 1.429 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000595471739 450166757 /nfs/dbraw/zinc/16/67/57/450166757.db2.gz PHODAJQGWNCMLZ-CYBMUJFWSA-N 0 3 336.392 1.887 20 5 EDBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000597654213 450173080 /nfs/dbraw/zinc/17/30/80/450173080.db2.gz PRRJQHADRJFQRP-QMMMGPOBSA-N 0 3 335.282 1.266 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)c1c(F)cccc1[N+](=O)[O-])CCO2 ZINC000601647944 450138974 /nfs/dbraw/zinc/13/89/74/450138974.db2.gz DOKVZMDFJYQGCQ-UHFFFAOYSA-N 0 3 337.351 1.671 20 5 EDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595569063 450239471 /nfs/dbraw/zinc/23/94/71/450239471.db2.gz ZQFKWCYFWKTKNB-ZDUSSCGKSA-N 0 3 338.412 1.211 20 5 EDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000619483167 450486354 /nfs/dbraw/zinc/48/63/54/450486354.db2.gz WHFFEFLAOYJSET-NSHDSACASA-N 0 3 343.405 1.318 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)n1 ZINC000595256783 490995258 /nfs/dbraw/zinc/99/52/58/490995258.db2.gz DXAPLHJYYUIPFC-AWEZNQCLSA-N 0 3 345.359 1.724 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000184411943 533915975 /nfs/dbraw/zinc/91/59/75/533915975.db2.gz VSYONQOWDPRUQE-GFCCVEGCSA-N 0 3 338.383 1.490 20 5 EDBDHN COc1ccccc1CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174740249 534069446 /nfs/dbraw/zinc/06/94/46/534069446.db2.gz SWDAKRRXUNIILU-MRXNPFEDSA-N 0 3 346.387 1.825 20 5 EDBDHN CC(C)(C(=O)Nc1ccc2c(c1F)CCNC2)n1cc([N+](=O)[O-])cn1 ZINC000261838533 534376352 /nfs/dbraw/zinc/37/63/52/534376352.db2.gz ZUBVUBYTLDUXBA-UHFFFAOYSA-N 0 3 347.350 1.950 20 5 EDBDHN CCN(CCc1nccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000159336639 528608805 /nfs/dbraw/zinc/60/88/05/528608805.db2.gz VGXYBNCJZDGRQL-LBPRGKRZSA-N 0 3 325.394 1.173 20 5 EDBDHN CC(C)N1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000270521199 535196371 /nfs/dbraw/zinc/19/63/71/535196371.db2.gz RDQLWTOTJCUSPA-UHFFFAOYSA-N 0 3 349.435 1.554 20 5 EDBDHN CC(C)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000270504262 535196409 /nfs/dbraw/zinc/19/64/09/535196409.db2.gz VENPKPANOOECNL-UHFFFAOYSA-N 0 3 333.436 1.985 20 5 EDBDHN CN(C)CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352638040 535899762 /nfs/dbraw/zinc/89/97/62/535899762.db2.gz QYALKLWFHKZPFT-UHFFFAOYSA-N 0 3 347.318 1.504 20 5 EDBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CCCC2)C1 ZINC000727108368 578518831 /nfs/dbraw/zinc/51/88/31/578518831.db2.gz AVAOQHQZCUBDJF-OAHLLOKOSA-N 0 3 343.387 1.641 20 5 EDBDHN CC(C)[C@H](CN(C)C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000733166498 578745545 /nfs/dbraw/zinc/74/55/45/578745545.db2.gz QSVUMGPMJWNVOK-ZDUSSCGKSA-N 0 3 337.376 1.489 20 5 EDBDHN O=[N+]([O-])c1cc(CNC[C@]2(O)CCOC2)ccc1N1CCCCC1 ZINC000754839953 579914023 /nfs/dbraw/zinc/91/40/23/579914023.db2.gz LIJQUUKMSFBPOV-QGZVFWFLSA-N 0 3 335.404 1.826 20 5 EDBDHN CCN(CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000769231856 580231767 /nfs/dbraw/zinc/23/17/67/580231767.db2.gz IACWEYFHSDECTP-UHFFFAOYSA-N 0 3 330.772 1.684 20 5 EDBDHN CC(=O)N1CCC(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000769464427 580237661 /nfs/dbraw/zinc/23/76/61/580237661.db2.gz WYKLMGCLMXBTPC-ZDUSSCGKSA-N 0 3 333.392 1.487 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000776589482 580422850 /nfs/dbraw/zinc/42/28/50/580422850.db2.gz SLQINZMTYBAREK-SJORKVTESA-N 0 3 335.404 1.425 20 5 EDBDHN C[C@H]1CN(CC(C)(C)O)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000780600424 580528240 /nfs/dbraw/zinc/52/82/40/580528240.db2.gz NGYRVJJMEUDDQO-LBPRGKRZSA-N 0 3 333.392 1.524 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2C[C@]2(CO)C1 ZINC000782626143 580580981 /nfs/dbraw/zinc/58/09/81/580580981.db2.gz ZHLHKGPUHSBPSS-MEDUHNTESA-N 0 3 335.360 1.246 20 5 EDBDHN NC(=O)c1ccc(COC(=O)C2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000801875118 581087011 /nfs/dbraw/zinc/08/70/11/581087011.db2.gz ORDCBXSPGVFCHG-UHFFFAOYSA-N 0 3 347.371 1.611 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000892929755 591228914 /nfs/dbraw/zinc/22/89/14/591228914.db2.gz KRPVCMOYZRMXMN-CYBMUJFWSA-N 0 3 336.392 1.615 20 5 EDBDHN Cc1c(CNC(=O)C2CN(C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000897547374 591546210 /nfs/dbraw/zinc/54/62/10/591546210.db2.gz SRXIOOUTAWUCDT-UHFFFAOYSA-N 0 3 333.388 1.630 20 5 EDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000899121026 591690005 /nfs/dbraw/zinc/69/00/05/591690005.db2.gz ADUXWEUUPZUOBA-LBPRGKRZSA-N 0 3 331.376 1.520 20 5 EDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)C1CN(C2CCOCC2)C1 ZINC000897241643 591782551 /nfs/dbraw/zinc/78/25/51/591782551.db2.gz OXHKDOZVOFRVPE-UHFFFAOYSA-N 0 3 333.388 1.364 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CCN1C ZINC000906797344 592348336 /nfs/dbraw/zinc/34/83/36/592348336.db2.gz HIOMTSWYLOFSBF-VXGBXAGGSA-N 0 3 349.387 1.969 20 5 EDBDHN CN(C)C[C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000782946787 593130940 /nfs/dbraw/zinc/13/09/40/593130940.db2.gz FIJFIXHBJBNPFI-SNVBAGLBSA-N 0 3 347.462 1.838 20 5 EDBDHN C[C@@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)N1C ZINC000840090333 593164384 /nfs/dbraw/zinc/16/43/84/593164384.db2.gz PDJZUOGJEPEMIR-BETUJISGSA-N 0 3 330.392 1.835 20 5 EDBDHN C[C@H](C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000761665942 593420087 /nfs/dbraw/zinc/42/00/87/593420087.db2.gz VYSGBYMLYPTPIO-RCBQFDQVSA-N 0 3 333.388 1.678 20 5 EDBDHN COc1cc(C(=O)N2C[C@@H]3CCN(C)C[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000812330411 593497519 /nfs/dbraw/zinc/49/75/19/593497519.db2.gz RAXRIDXQRBUILE-GXTWGEPZSA-N 0 3 333.388 1.936 20 5 EDBDHN CC(COC(=O)c1sccc1S(=O)(=O)C(F)F)[N+](=O)[O-] ZINC000813108248 593518239 /nfs/dbraw/zinc/51/82/39/593518239.db2.gz WUOSSFKSUULLHC-YFKPBYRVSA-N 0 3 329.302 1.566 20 5 EDBDHN CCOc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813115290 593518946 /nfs/dbraw/zinc/51/89/46/593518946.db2.gz OIZNXVBQQAAJNG-RYUDHWBXSA-N 0 3 336.344 1.647 20 5 EDBDHN CN(C[C@@H]1CCCN1C)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000817131918 593573883 /nfs/dbraw/zinc/57/38/83/593573883.db2.gz VLLHRNDVKZHSPA-NSHDSACASA-N 0 3 333.392 1.316 20 5 EDBDHN CC1(C)OC[C@@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000819155668 593741893 /nfs/dbraw/zinc/74/18/93/593741893.db2.gz OYPGVQGELYBDTK-GXTWGEPZSA-N 0 3 326.349 1.076 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H]2CCCCS2(=O)=O)cc1 ZINC000819221751 593745066 /nfs/dbraw/zinc/74/50/66/593745066.db2.gz NSYVKNVMBQBWEF-KBPBESRZSA-N 0 3 328.390 1.185 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]([NH3+])C(C)C)c1 ZINC000842723459 593763235 /nfs/dbraw/zinc/76/32/35/593763235.db2.gz DMERWOUOPWTPRB-VIFPVBQESA-N 0 3 335.813 1.818 20 5 EDBDHN Nc1ccc(NC(=O)N[C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000823933378 593889929 /nfs/dbraw/zinc/88/99/29/593889929.db2.gz PQVOHNFDWPZWGK-LBPRGKRZSA-N 0 3 337.380 1.145 20 5 EDBDHN C/C(=C/C(=O)N[C@@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000840453663 594005117 /nfs/dbraw/zinc/00/51/17/594005117.db2.gz KILIJDVRJLNELC-SYCZXOQXSA-N 0 3 347.415 1.961 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@]1(O)CCc2ccccc21 ZINC000829366677 594602390 /nfs/dbraw/zinc/60/23/90/594602390.db2.gz OZNJVRGBTOLBPV-SFHVURJKSA-N 0 3 343.383 1.522 20 5 EDBDHN CCO[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1OC)CN(C)C ZINC000831717518 594695646 /nfs/dbraw/zinc/69/56/46/594695646.db2.gz CRLOKKCZXRHMHF-NSHDSACASA-N 0 3 325.365 1.300 20 5 EDBDHN CCO[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)CN(C)C ZINC000831731218 594697170 /nfs/dbraw/zinc/69/71/70/594697170.db2.gz MBGFSUDRDYLYBD-YPMHNXCESA-N 0 3 341.383 1.920 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000844040483 595254525 /nfs/dbraw/zinc/25/45/25/595254525.db2.gz NFMQEAKRDRMKAL-YSKGHYERSA-N 0 3 346.387 1.186 20 5 EDBDHN Cc1ccccc1[C@H](O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843072936 595281026 /nfs/dbraw/zinc/28/10/26/595281026.db2.gz FILDBTXZRWUTIG-CRAIPNDOSA-N 0 3 346.383 1.966 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC000843118330 595291366 /nfs/dbraw/zinc/29/13/66/595291366.db2.gz YFHIUSPQAFRNAZ-BFYDXBDKSA-N 0 3 330.340 1.712 20 5 EDBDHN NC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(F)(F)F ZINC000848439815 595379652 /nfs/dbraw/zinc/37/96/52/595379652.db2.gz ZQMPQLPHDQLJDX-SECBINFHSA-N 0 3 325.218 1.119 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000115585864 595604879 /nfs/dbraw/zinc/60/48/79/595604879.db2.gz RMVXHJZIJVOAFL-LLVKDONJSA-N 0 3 345.396 1.696 20 5 EDBDHN CCS(=O)(=O)C1(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000853116087 595669713 /nfs/dbraw/zinc/66/97/13/595669713.db2.gz GDJXRDSDHAAQBX-CYBMUJFWSA-N 0 3 328.390 1.185 20 5 EDBDHN O=[N+]([O-])c1cn(CN2CC[C@H](N3CC=CC3)C2)nc1-c1ccccn1 ZINC000853497609 595769477 /nfs/dbraw/zinc/76/94/77/595769477.db2.gz CRCDSDHRTUSPBG-AWEZNQCLSA-N 0 3 340.387 1.757 20 5 EDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCCN1CCCCC1 ZINC000858973401 595936970 /nfs/dbraw/zinc/93/69/70/595936970.db2.gz SUVREHVFLOVWDQ-UHFFFAOYSA-N 0 3 349.387 1.744 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000852009262 596006346 /nfs/dbraw/zinc/00/63/46/596006346.db2.gz LDIQMFCLRSQJFD-SJLPKXTDSA-N 0 3 349.431 1.815 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNCCC1(C)C ZINC000866804717 596355856 /nfs/dbraw/zinc/35/58/56/596355856.db2.gz PBBUZJWZUCCEKE-UHFFFAOYSA-N 0 3 327.406 1.666 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCN3C)C2)ccc1[N+](=O)[O-] ZINC000867812740 596564392 /nfs/dbraw/zinc/56/43/92/596564392.db2.gz LUBRANTWCGSMEG-SWLSCSKDSA-N 0 3 339.417 1.618 20 5 EDBDHN CN(C)CCOC1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865535579 596603733 /nfs/dbraw/zinc/60/37/33/596603733.db2.gz RLWUPMRHPDZVLR-UHFFFAOYSA-N 0 3 341.383 1.773 20 5 EDBDHN Cn1c2cc([N+](=O)[O-])c(N3CCN(C)C(C)(C)CC3)cc2n(C)c1=O ZINC000866113293 596792556 /nfs/dbraw/zinc/79/25/56/596792556.db2.gz YWQJDLIWYHDLTA-UHFFFAOYSA-N 0 3 347.419 1.706 20 5 EDBDHN CN1CCC[C@@H]2[C@@H]1CCN2c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000872779058 597064122 /nfs/dbraw/zinc/06/41/22/597064122.db2.gz DKHNFKVXKNJJNB-UONOGXRCSA-N 0 3 329.360 1.917 20 5 EDBDHN COc1cc(OCC(=O)N2CC[C@@H]3[C@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874841881 597194699 /nfs/dbraw/zinc/19/46/99/597194699.db2.gz FIIPTVLYGLWMBM-ZIAGYGMSSA-N 0 3 349.387 1.677 20 5 EDBDHN O=C(N[C@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000879997143 597803396 /nfs/dbraw/zinc/80/33/96/597803396.db2.gz GOKMYZHIXCPCLI-NSHDSACASA-N 0 3 327.768 1.435 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880328886 597902585 /nfs/dbraw/zinc/90/25/85/597902585.db2.gz CDFXXIFTGLJRNB-GFCCVEGCSA-N 0 3 349.387 1.922 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC([NH+](C)C)C2)cc1F ZINC000916907670 696819619 /nfs/dbraw/zinc/81/96/19/696819619.db2.gz OAHMXFMFFGBQCR-UHFFFAOYSA-N 0 3 331.369 1.413 20 5 EDBDHN CN(CC1CCN(C)CC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181545096 529865443 /nfs/dbraw/zinc/86/54/43/529865443.db2.gz GCWVNHWVWYJVRN-UHFFFAOYSA-N 0 3 335.360 1.737 20 5 EDBDHN COC(=O)c1cc(C(=O)N(C)CCN2CCCC2)cc([N+](=O)[O-])c1 ZINC000103119833 219256851 /nfs/dbraw/zinc/25/68/51/219256851.db2.gz HOFUIPYQZSUILG-UHFFFAOYSA-N 0 3 335.360 1.549 20 5 EDBDHN Cc1c(NC(=O)CCN(CC(N)=O)CC(C)C)cccc1[N+](=O)[O-] ZINC000067962927 215260885 /nfs/dbraw/zinc/26/08/85/215260885.db2.gz FKEQCIUOXMHDGZ-UHFFFAOYSA-N 0 3 336.392 1.675 20 5 EDBDHN Cc1c([C@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000183472093 235096872 /nfs/dbraw/zinc/09/68/72/235096872.db2.gz XPNKYTXEMHSMFX-WCQYABFASA-N 0 3 334.376 1.727 20 5 EDBDHN Cc1sc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000123939351 138322542 /nfs/dbraw/zinc/32/25/42/138322542.db2.gz AEDVFHFSYXVMAM-JTQLQIEISA-N 0 3 333.435 1.679 20 5 EDBDHN O=C1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCCN12 ZINC000563708948 306345733 /nfs/dbraw/zinc/34/57/33/306345733.db2.gz YUMFLDFDQCAIOA-BPUTZDHNSA-N 0 3 349.387 1.078 20 5 EDBDHN COCCNCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237334728 139048334 /nfs/dbraw/zinc/04/83/34/139048334.db2.gz XLSXWVJOZGZBPS-UHFFFAOYSA-N 0 3 336.392 1.161 20 5 EDBDHN Cc1nn(CCC(=O)NC[C@@H](N)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000237872472 139062493 /nfs/dbraw/zinc/06/24/93/139062493.db2.gz FPCULGJNXULQQC-CQSZACIVSA-N 0 3 331.376 1.614 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]2OCCC[C@H]2C1 ZINC000248453743 139164791 /nfs/dbraw/zinc/16/47/91/139164791.db2.gz KAZGYHYGRJVXMJ-LZWOXQAQSA-N 0 3 336.388 1.835 20 5 EDBDHN C[C@H]1CCN[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000261659621 139215306 /nfs/dbraw/zinc/21/53/06/139215306.db2.gz KMEYAWZZTAFCEE-XJKSGUPXSA-N 0 3 332.404 1.632 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]C[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261975164 139241115 /nfs/dbraw/zinc/24/11/15/139241115.db2.gz ZNNSDIQHLUEOOL-AWEZNQCLSA-N 0 3 343.405 1.271 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C)CC[NH2+]CC1 ZINC000262418256 139277673 /nfs/dbraw/zinc/27/76/73/139277673.db2.gz DTSTUBLFOAJOKD-UHFFFAOYSA-N 0 3 329.378 1.024 20 5 EDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CNCCC1(F)F ZINC000423487151 252054617 /nfs/dbraw/zinc/05/46/17/252054617.db2.gz VFOMMIKFFJGYFG-ZWNOBZJWSA-N 0 3 342.346 1.899 20 5 EDBDHN CN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H]1CCCN(C)C1 ZINC000153596108 224127359 /nfs/dbraw/zinc/12/73/59/224127359.db2.gz RFNFYNZJEYWEOK-LBPRGKRZSA-N 0 3 348.359 1.055 20 5 EDBDHN COCCN(C)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000263708308 139354513 /nfs/dbraw/zinc/35/45/13/139354513.db2.gz CUXFKNJAOZUSMU-GFCCVEGCSA-N 0 3 341.433 1.770 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191924370 285221425 /nfs/dbraw/zinc/22/14/25/285221425.db2.gz QSRIRXDKHAXQFU-WBVHZDCISA-N 0 3 329.356 1.876 20 5 EDBDHN CC(COC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496000519 255339228 /nfs/dbraw/zinc/33/92/28/255339228.db2.gz AVMJRYAGVYTSMO-QWRGUYRKSA-N 0 3 348.421 1.937 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000118130613 221127076 /nfs/dbraw/zinc/12/70/76/221127076.db2.gz OKXZZODWHPIHSX-LLVKDONJSA-N 0 3 334.376 1.441 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCC(O)CC1 ZINC000118722718 221172927 /nfs/dbraw/zinc/17/29/27/221172927.db2.gz BUZATIBYLXKUME-UHFFFAOYSA-N 0 3 337.376 1.180 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000118722473 221173199 /nfs/dbraw/zinc/17/31/99/221173199.db2.gz QERKWRKAVVZBPM-UHFFFAOYSA-N 0 3 341.795 1.825 20 5 EDBDHN NC(=O)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866156 221198481 /nfs/dbraw/zinc/19/84/81/221198481.db2.gz ZJAHBMDDSSZFMR-AWEZNQCLSA-N 0 3 341.371 1.775 20 5 EDBDHN O=C(NCC1CC1)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269656856 139967293 /nfs/dbraw/zinc/96/72/93/139967293.db2.gz OTDOFTOIPKJBDV-RDJZCZTQSA-N 0 3 347.415 1.866 20 5 EDBDHN NC(=O)c1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)c([N+](=O)[O-])c1 ZINC000339764947 142149292 /nfs/dbraw/zinc/14/92/92/142149292.db2.gz VNWAGGFBDSAAOP-DOTOQJQBSA-N 0 3 349.387 1.103 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000346608087 143221641 /nfs/dbraw/zinc/22/16/41/143221641.db2.gz KHCMPVPJTZSIRM-AWEZNQCLSA-N 0 3 331.376 1.519 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347229099 143297697 /nfs/dbraw/zinc/29/76/97/143297697.db2.gz JZKJYHQELIXBPG-CYBMUJFWSA-N 0 3 340.355 1.966 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3ccncc3)C2)c1 ZINC000347713720 143353048 /nfs/dbraw/zinc/35/30/48/143353048.db2.gz CGGCTNLUHOIVCI-GOEBONIOSA-N 0 3 331.376 1.427 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](COC(F)F)C1 ZINC000353016980 149254507 /nfs/dbraw/zinc/25/45/07/149254507.db2.gz AUDSAFJRVFINSH-NEPJUHHUSA-N 0 3 346.330 1.896 20 5 EDBDHN COC(=O)COc1ccc(CNCCc2cc(C)no2)cc1[N+](=O)[O-] ZINC000353082753 149279472 /nfs/dbraw/zinc/27/94/72/149279472.db2.gz GPAXDWNOZZABPV-UHFFFAOYSA-N 0 3 349.343 1.775 20 5 EDBDHN CN(C[C@@H]1CCN(C)C1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000354975592 150061946 /nfs/dbraw/zinc/06/19/46/150061946.db2.gz PAPNVGXPVWXXBX-CYBMUJFWSA-N 0 3 343.387 1.804 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355313135 150211348 /nfs/dbraw/zinc/21/13/48/150211348.db2.gz GQUGOYKFAMSGRF-CVEARBPZSA-N 0 3 349.387 1.295 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000355340394 150223438 /nfs/dbraw/zinc/22/34/38/150223438.db2.gz IORSJGNOYUPJDN-HZPDHXFCSA-N 0 3 333.388 1.838 20 5 EDBDHN Cn1c(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)ccc1[N+](=O)[O-] ZINC000357939857 151203398 /nfs/dbraw/zinc/20/33/98/151203398.db2.gz VHIWUIWEDOCVGL-NXEZZACHSA-N 0 3 330.348 1.839 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000357970090 151215525 /nfs/dbraw/zinc/21/55/25/151215525.db2.gz FMWWQKXPWBHJHG-AWEZNQCLSA-N 0 3 334.376 1.593 20 5 EDBDHN C[C@@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N(C)C1CC1 ZINC000357998792 151229247 /nfs/dbraw/zinc/22/92/47/151229247.db2.gz DMSVIXXBOIUPME-LBPRGKRZSA-N 0 3 348.403 1.982 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CCN(C)[C@H]2C1 ZINC000370049942 155303688 /nfs/dbraw/zinc/30/36/88/155303688.db2.gz LYLSMIBLKGCZMZ-CJNGLKHVSA-N 0 3 332.404 1.868 20 5 EDBDHN CN(C)CCn1nnnc1SCc1ccc(F)cc1[N+](=O)[O-] ZINC000573982075 306640082 /nfs/dbraw/zinc/64/00/82/306640082.db2.gz FHXJSQLICHMSDZ-UHFFFAOYSA-N 0 3 326.357 1.574 20 5 EDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000363939904 153102734 /nfs/dbraw/zinc/10/27/34/153102734.db2.gz POQVUDMXQIBILD-KRWDZBQOSA-N 0 3 346.431 1.835 20 5 EDBDHN CCOc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000364468245 153245829 /nfs/dbraw/zinc/24/58/29/153245829.db2.gz ZALQOYGVMMPIPK-UONOGXRCSA-N 0 3 349.387 1.587 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000364554641 153269032 /nfs/dbraw/zinc/26/90/32/153269032.db2.gz ZAMMUIRGNKXMBT-ZDUSSCGKSA-N 0 3 336.392 1.824 20 5 EDBDHN COc1cc(C[NH2+]CC2(O)Cc3ccccc3C2)c([N+](=O)[O-])cc1[O-] ZINC000371701522 156069085 /nfs/dbraw/zinc/06/90/85/156069085.db2.gz WDIOQICRXYCZCI-UHFFFAOYSA-N 0 3 344.367 1.929 20 5 EDBDHN Cc1cc(N2CCCN(CC(N)=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000373801037 157010297 /nfs/dbraw/zinc/01/02/97/157010297.db2.gz PBYRREKARKMNJF-UHFFFAOYSA-N 0 3 343.387 1.449 20 5 EDBDHN Nc1c(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000374463610 157299679 /nfs/dbraw/zinc/29/96/79/157299679.db2.gz XQVHKIPMRKSHNN-UONOGXRCSA-N 0 3 326.356 1.744 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCOC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000378282446 158127826 /nfs/dbraw/zinc/12/78/26/158127826.db2.gz AMKASALTXWBICR-GFCCVEGCSA-N 0 3 337.376 1.900 20 5 EDBDHN COc1cc(CN2CCN(C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000352545431 162244033 /nfs/dbraw/zinc/24/40/33/162244033.db2.gz IMAJJINYDCHCID-OAHLLOKOSA-N 0 3 335.404 1.758 20 5 EDBDHN COCCCN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171412686 227067809 /nfs/dbraw/zinc/06/78/09/227067809.db2.gz RLUMQWWOKGDEDM-UHFFFAOYSA-N 0 3 335.404 1.754 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122404862 222080885 /nfs/dbraw/zinc/08/08/85/222080885.db2.gz CDGSQWILAJUCID-AWEZNQCLSA-N 0 3 348.447 1.907 20 5 EDBDHN CC(=O)N1CC[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000152807991 287616896 /nfs/dbraw/zinc/61/68/96/287616896.db2.gz BYPZBDIBDOYQDW-OAHLLOKOSA-N 0 3 343.387 1.706 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000276010464 268390580 /nfs/dbraw/zinc/39/05/80/268390580.db2.gz HDJZKLZDEPCHSJ-GFCCVEGCSA-N 0 3 346.387 1.608 20 5 EDBDHN O=[N+]([O-])c1ccc(CCN2CC[C@@](O)(c3nc(C4CC4)no3)C2)cc1 ZINC000277444948 273198279 /nfs/dbraw/zinc/19/82/79/273198279.db2.gz NXFJDZAGQZJMNA-KRWDZBQOSA-N 0 3 344.371 1.991 20 5 EDBDHN CN(C)CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279080702 273278811 /nfs/dbraw/zinc/27/88/11/273278811.db2.gz RWSRYPYIESOVCA-UHFFFAOYSA-N 0 3 334.298 1.974 20 5 EDBDHN C[C@H](O)C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279809353 273328923 /nfs/dbraw/zinc/32/89/23/273328923.db2.gz PRWFPFNZLZQVGN-SOUVJXGZSA-N 0 3 338.404 1.960 20 5 EDBDHN CN(C)CC1(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCC1 ZINC000280994281 273423552 /nfs/dbraw/zinc/42/35/52/273423552.db2.gz CSYDGBVZAGOTQI-UHFFFAOYSA-N 0 3 344.375 1.390 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)NC2(CN(C)C)CCC2)c1[N+](=O)[O-] ZINC000281634872 273504804 /nfs/dbraw/zinc/50/48/04/273504804.db2.gz VDFYMIMWIXFISD-UHFFFAOYSA-N 0 3 341.433 1.974 20 5 EDBDHN CN(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H]1O ZINC000359952392 273819675 /nfs/dbraw/zinc/81/96/75/273819675.db2.gz LZWTVPMMDSZMCO-LSDHHAIUSA-N 0 3 328.372 1.768 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000284377911 274180903 /nfs/dbraw/zinc/18/09/03/274180903.db2.gz FJUABELIAONCAR-IIAWOOMASA-N 0 3 336.388 1.978 20 5 EDBDHN NC(=O)[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000253159078 287822819 /nfs/dbraw/zinc/82/28/19/287822819.db2.gz QVPDPVRZMHCDOC-RBSFLKMASA-N 0 3 346.387 1.334 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264743557 276171581 /nfs/dbraw/zinc/17/15/81/276171581.db2.gz KXQHMKKXVJUNDP-CYBMUJFWSA-N 0 3 335.360 1.387 20 5 EDBDHN CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289645544 288751210 /nfs/dbraw/zinc/75/12/10/288751210.db2.gz LFGYASJUKYBTNS-CQSZACIVSA-N 0 3 336.392 1.182 20 5 EDBDHN CSC1(C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000290348052 288884288 /nfs/dbraw/zinc/88/42/88/288884288.db2.gz LTHDEHQAYBAZAC-UHFFFAOYSA-N 0 3 345.446 1.358 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000352125590 289180713 /nfs/dbraw/zinc/18/07/13/289180713.db2.gz JJTHDCKCWWPUCJ-MRXNPFEDSA-N 0 3 338.408 1.216 20 5 EDBDHN C[C@H](c1ccccc1)[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292101336 289261272 /nfs/dbraw/zinc/26/12/72/289261272.db2.gz GKGJQXCDOSBNQK-OAUYIBNBSA-N 0 3 343.383 1.875 20 5 EDBDHN CC1=CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293638270 302995976 /nfs/dbraw/zinc/99/59/76/302995976.db2.gz NRMHFOXSLIIANC-CYBMUJFWSA-N 0 3 339.417 1.962 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3C)[C@H]2C1 ZINC000293779282 303017406 /nfs/dbraw/zinc/01/74/06/303017406.db2.gz BRCLMXGJPQICTK-JKSUJKDBSA-N 0 3 333.388 1.838 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293974739 303046654 /nfs/dbraw/zinc/04/66/54/303046654.db2.gz UZUPHNNEVGBMJS-JKSUJKDBSA-N 0 3 349.387 1.295 20 5 EDBDHN COCCN(C)CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294447960 303108433 /nfs/dbraw/zinc/10/84/33/303108433.db2.gz GQEJYAWOFUIHMG-UHFFFAOYSA-N 0 3 347.375 1.293 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000297364915 303390638 /nfs/dbraw/zinc/39/06/38/303390638.db2.gz KWPCVZNFFNYILO-UHFFFAOYSA-N 0 3 346.391 1.717 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc3cccnc32)c1 ZINC000391695042 303851495 /nfs/dbraw/zinc/85/14/95/303851495.db2.gz MKXZOEBEUAQHIC-HNNXBMFYSA-N 0 3 327.344 1.490 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000429770887 305036632 /nfs/dbraw/zinc/03/66/32/305036632.db2.gz GFJGGWDJTBSSOJ-KGLIPLIRSA-N 0 3 334.376 1.062 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000430194966 305047344 /nfs/dbraw/zinc/04/73/44/305047344.db2.gz LTYTXCGZUHBOBJ-ZDUSSCGKSA-N 0 3 337.420 1.880 20 5 EDBDHN CCOc1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000438785896 305189168 /nfs/dbraw/zinc/18/91/68/305189168.db2.gz XEPLNZOEGOIQQN-HNNXBMFYSA-N 0 3 334.376 1.683 20 5 EDBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC000448899993 305303202 /nfs/dbraw/zinc/30/32/02/305303202.db2.gz XSFDSWAVMITIEE-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN CO[C@@H]1C[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451512429 305350409 /nfs/dbraw/zinc/35/04/09/305350409.db2.gz XNNKHAOREMUYAD-HUUCEWRRSA-N 0 3 333.388 1.887 20 5 EDBDHN CCn1cc([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000451889381 305372082 /nfs/dbraw/zinc/37/20/82/305372082.db2.gz MJIAPRRZPXJDAY-JSGCOSHPSA-N 0 3 334.376 1.902 20 5 EDBDHN COc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000452345777 305390576 /nfs/dbraw/zinc/39/05/76/305390576.db2.gz FTZCTJVDYNDDDY-ZDUSSCGKSA-N 0 3 337.376 1.180 20 5 EDBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000452362354 305392729 /nfs/dbraw/zinc/39/27/29/305392729.db2.gz KTOBFCBXVVQEIP-NSHDSACASA-N 0 3 339.396 1.018 20 5 EDBDHN CNc1nc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456043915 305450577 /nfs/dbraw/zinc/45/05/77/305450577.db2.gz KIPQIVLVNYSZRB-YPMHNXCESA-N 0 3 333.392 1.730 20 5 EDBDHN COc1cc(CNC[C@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000515489216 305723104 /nfs/dbraw/zinc/72/31/04/305723104.db2.gz CKCDVFNRALGREN-LLVKDONJSA-N 0 3 349.387 1.713 20 5 EDBDHN COc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)cc([N+](=O)[O-])c1OC ZINC000525570414 305825068 /nfs/dbraw/zinc/82/50/68/305825068.db2.gz CBRCTDMSGNUROR-ZDUSSCGKSA-N 0 3 349.387 1.922 20 5 EDBDHN COc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)c([N+](=O)[O-])cc1F ZINC000449879667 447406100 /nfs/dbraw/zinc/40/61/00/447406100.db2.gz IVUJEBFHFSCYGY-SNVBAGLBSA-N 0 3 341.339 1.145 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)CC(C)C ZINC000415427314 447427476 /nfs/dbraw/zinc/42/74/76/447427476.db2.gz NBDYMBOTQYSTGE-JTQLQIEISA-N 0 3 338.364 1.032 20 5 EDBDHN COc1ccc(C(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000104532713 441196893 /nfs/dbraw/zinc/19/68/93/441196893.db2.gz JMTBJPBQHIYTLA-UHFFFAOYSA-N 0 3 338.408 1.169 20 5 EDBDHN CCN1CCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000015164123 441197093 /nfs/dbraw/zinc/19/70/93/441197093.db2.gz SKJLOHOXGYGVQW-SNVBAGLBSA-N 0 3 328.394 1.138 20 5 EDBDHN C[C@H]1CCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000088726318 441518287 /nfs/dbraw/zinc/51/82/87/441518287.db2.gz VQKLRGQXAUJEQC-NWDGAFQWSA-N 0 3 327.406 1.651 20 5 EDBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000066614624 441552235 /nfs/dbraw/zinc/55/22/35/441552235.db2.gz BHRQHOBYAAHSJA-GFCCVEGCSA-N 0 3 349.387 1.828 20 5 EDBDHN Cc1ccc([C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000067267043 441621539 /nfs/dbraw/zinc/62/15/39/441621539.db2.gz RWGGBYUNVSGZKU-MRXNPFEDSA-N 0 3 345.403 1.909 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000090564490 441635812 /nfs/dbraw/zinc/63/58/12/441635812.db2.gz LWIAVHIHKHOTNT-RHSMWYFYSA-N 0 3 346.431 1.705 20 5 EDBDHN CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C ZINC000041321441 441644881 /nfs/dbraw/zinc/64/48/81/441644881.db2.gz JCWCIASMRPSHKD-CQSZACIVSA-N 0 3 336.392 1.626 20 5 EDBDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000091081801 441658939 /nfs/dbraw/zinc/65/89/39/441658939.db2.gz NKTRSJZUZZKGND-CQSZACIVSA-N 0 3 331.376 1.934 20 5 EDBDHN COc1ccc(CC(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000067834850 441684952 /nfs/dbraw/zinc/68/49/52/441684952.db2.gz WJRFANRWKYOJNO-UHFFFAOYSA-N 0 3 347.375 1.543 20 5 EDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1CN1CCCCC1 ZINC000068131870 441740461 /nfs/dbraw/zinc/74/04/61/441740461.db2.gz CLVKHLDCCIXSDC-AWEZNQCLSA-N 0 3 335.408 1.658 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069469663 441944756 /nfs/dbraw/zinc/94/47/56/441944756.db2.gz VQQSKKMONIIMNU-AWEZNQCLSA-N 0 3 336.392 1.709 20 5 EDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CC2CC2)C1 ZINC000069469768 441945039 /nfs/dbraw/zinc/94/50/39/441945039.db2.gz QDEUVNFWKFTXHC-AWEZNQCLSA-N 0 3 348.403 1.757 20 5 EDBDHN C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CN1CCCC1 ZINC000119787762 441951322 /nfs/dbraw/zinc/95/13/22/441951322.db2.gz BLYNXLGVVMRHGU-ZDUSSCGKSA-N 0 3 341.433 1.746 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000069528912 441965505 /nfs/dbraw/zinc/96/55/05/441965505.db2.gz BMGSZZUMXUNYPM-CYBMUJFWSA-N 0 3 337.376 1.444 20 5 EDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000126230138 442090624 /nfs/dbraw/zinc/09/06/24/442090624.db2.gz LJFOJGPJBVBMIV-JSGCOSHPSA-N 0 3 349.387 1.585 20 5 EDBDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176217511 442193907 /nfs/dbraw/zinc/19/39/07/442193907.db2.gz GQENTZHEMPHFDF-KGLIPLIRSA-N 0 3 337.424 1.808 20 5 EDBDHN CC[C@@H](N)C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000129182625 442305041 /nfs/dbraw/zinc/30/50/41/442305041.db2.gz PMJVINAATJNZCN-CHWSQXEVSA-N 0 3 337.376 1.831 20 5 EDBDHN CCN(CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000171161989 442321296 /nfs/dbraw/zinc/32/12/96/442321296.db2.gz SYHFCQLAHUOQSH-UHFFFAOYSA-N 0 3 336.392 1.887 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000191784609 442510708 /nfs/dbraw/zinc/51/07/08/442510708.db2.gz COPFKLNFSIYGJL-FRRDWIJNSA-N 0 3 337.424 1.907 20 5 EDBDHN CCOC(=O)c1nn(C)cc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000186343821 442515593 /nfs/dbraw/zinc/51/55/93/442515593.db2.gz NDFZWCQWADULME-UHFFFAOYSA-N 0 3 332.360 1.837 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000186779908 442609865 /nfs/dbraw/zinc/60/98/65/442609865.db2.gz CFGDGEQEOFFLOT-UHFFFAOYSA-N 0 3 344.375 1.342 20 5 EDBDHN COc1ccc(NC(=O)CCN2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000186900462 442627106 /nfs/dbraw/zinc/62/71/06/442627106.db2.gz MCSAWHRBXRKNGI-NHYWBVRUSA-N 0 3 337.376 1.635 20 5 EDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180584620 442627522 /nfs/dbraw/zinc/62/75/22/442627522.db2.gz KLRBLOQDRITPAT-UHFFFAOYSA-N 0 3 333.348 1.369 20 5 EDBDHN CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246874884 442819327 /nfs/dbraw/zinc/81/93/27/442819327.db2.gz JQGMJJHGTDMHIU-UKRRQHHQSA-N 0 3 347.419 1.877 20 5 EDBDHN COc1cc(C(=O)N2CCC[C@@H]2CN(C)C)cc([N+](=O)[O-])c1OC ZINC000268072007 442837033 /nfs/dbraw/zinc/83/70/33/442837033.db2.gz AQMKPHZWJBOHLH-GFCCVEGCSA-N 0 3 337.376 1.778 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000268160518 442877220 /nfs/dbraw/zinc/87/72/20/442877220.db2.gz XAQXBTDLQKBDNE-DOMZBBRYSA-N 0 3 347.419 1.789 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000268201750 442897189 /nfs/dbraw/zinc/89/71/89/442897189.db2.gz GHFMFMFXWSPJBQ-SMDDNHRTSA-N 0 3 327.406 1.474 20 5 EDBDHN COc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000268299896 442937845 /nfs/dbraw/zinc/93/78/45/442937845.db2.gz XXHRNGYNJUIAHZ-ZWNOBZJWSA-N 0 3 343.405 1.174 20 5 EDBDHN Cc1nc(N2CCC(CN3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000268453595 442995262 /nfs/dbraw/zinc/99/52/62/442995262.db2.gz GELRDIBUGMNUOE-UHFFFAOYSA-N 0 3 333.436 1.762 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000266389558 443114085 /nfs/dbraw/zinc/11/40/85/443114085.db2.gz CAWHEECVCLLLDN-MRXNPFEDSA-N 0 3 334.351 1.956 20 5 EDBDHN [NH3+]C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382527351 319123824 /nfs/dbraw/zinc/12/38/24/319123824.db2.gz VIXGFBSECDVXIP-WCBMZHEXSA-N 0 3 333.797 1.654 20 5 EDBDHN CCN1CC[C@H](NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000414547778 319330213 /nfs/dbraw/zinc/33/02/13/319330213.db2.gz JBLGLYLUGMJWFH-ZDUSSCGKSA-N 0 3 337.376 1.330 20 5 EDBDHN COc1cc(CNC[C@]2(O)CCSC2)c([N+](=O)[O-])cc1OC ZINC000267012373 443313199 /nfs/dbraw/zinc/31/31/99/443313199.db2.gz GXOJBIXVDPXRCI-CQSZACIVSA-N 0 3 328.390 1.570 20 5 EDBDHN CN(CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000264618281 443349244 /nfs/dbraw/zinc/34/92/44/443349244.db2.gz KEPIFWTZFIRUFV-UHFFFAOYSA-N 0 3 330.344 1.673 20 5 EDBDHN CN(C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269733869 443416259 /nfs/dbraw/zinc/41/62/59/443416259.db2.gz ZLNHDYMEASJLTD-UHFFFAOYSA-N 0 3 334.145 1.788 20 5 EDBDHN O=C(CN[C@@H]1CCC[C@@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279337701 443558403 /nfs/dbraw/zinc/55/84/03/443558403.db2.gz ULZHMGMMMCMTOI-IUODEOHRSA-N 0 3 333.388 1.625 20 5 EDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000440087182 320062394 /nfs/dbraw/zinc/06/23/94/320062394.db2.gz BEFGZYCUGILXIQ-NSHDSACASA-N 0 3 345.421 1.612 20 5 EDBDHN COc1ccc(-n2cc(CNCCn3cc([N+](=O)[O-])cn3)cn2)cc1 ZINC000449198017 320178015 /nfs/dbraw/zinc/17/80/15/320178015.db2.gz ZFPVBOVLMVHNJG-UHFFFAOYSA-N 0 3 342.359 1.775 20 5 EDBDHN Cc1n[nH]c(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000288098294 443770702 /nfs/dbraw/zinc/77/07/02/443770702.db2.gz HVKZZVZRNGNDIC-GFCCVEGCSA-N 0 3 335.339 1.798 20 5 EDBDHN O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc([N+](=O)[O-])n[n-]1 ZINC000285020648 443824803 /nfs/dbraw/zinc/82/48/03/443824803.db2.gz GZMJYUOSMYGYLF-UHFFFAOYSA-N 0 3 330.348 1.107 20 5 EDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000299110693 443957910 /nfs/dbraw/zinc/95/79/10/443957910.db2.gz FCANEQDMPIQVIV-OAHLLOKOSA-N 0 3 343.387 1.572 20 5 EDBDHN CN(C)CC1(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCC1 ZINC000281866598 444027019 /nfs/dbraw/zinc/02/70/19/444027019.db2.gz ZAKQCUMNEXXXHS-UHFFFAOYSA-N 0 3 335.360 1.387 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc3c2OCCCO3)c1 ZINC000564854733 321151726 /nfs/dbraw/zinc/15/17/26/321151726.db2.gz SRBOQDVJGIYIPA-CQSZACIVSA-N 0 3 348.359 1.103 20 5 EDBDHN C[C@@H]1NC(=O)CC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000282273246 444133252 /nfs/dbraw/zinc/13/32/52/444133252.db2.gz HSBZLCSBXBUPFW-KWQFWETISA-N 0 3 340.767 1.443 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(CN3CCOCC3)CC2)c1 ZINC000305165529 444262147 /nfs/dbraw/zinc/26/21/47/444262147.db2.gz HJHHHZDSDTZUMC-GOSISDBHSA-N 0 3 349.431 1.672 20 5 EDBDHN C[C@@H](O)[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000305870318 444283756 /nfs/dbraw/zinc/28/37/56/444283756.db2.gz ODJYDCUDVVQVIA-NEPJUHHUSA-N 0 3 335.360 1.596 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CN3CCC[C@H]3CO2)s1 ZINC000323460423 444343130 /nfs/dbraw/zinc/34/31/30/444343130.db2.gz CJPFZZRWHVPUAB-VHSXEESVSA-N 0 3 335.389 1.875 20 5 EDBDHN N[C@H]1C[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O ZINC000579252684 321909516 /nfs/dbraw/zinc/90/95/16/321909516.db2.gz AHMNVTQQINTNLN-ZJUUUORDSA-N 0 3 344.293 1.362 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580217580 322025592 /nfs/dbraw/zinc/02/55/92/322025592.db2.gz QBNRIHZWXILSEW-DOMZBBRYSA-N 0 3 343.387 1.958 20 5 EDBDHN COc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000341008485 444628342 /nfs/dbraw/zinc/62/83/42/444628342.db2.gz CLNWLZMXXNRROU-DGCLKSJQSA-N 0 3 336.392 1.885 20 5 EDBDHN O=C(C1CCN(C2CC2)CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000338921862 444933150 /nfs/dbraw/zinc/93/31/50/444933150.db2.gz WIROAMUCBLVGAY-UHFFFAOYSA-N 0 3 347.419 1.829 20 5 EDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCNc2ccncc2)c1 ZINC000341876116 445047388 /nfs/dbraw/zinc/04/73/88/445047388.db2.gz OGBOGSIADSOCOK-UHFFFAOYSA-N 0 3 332.385 1.976 20 5 EDBDHN C[C@@H]1[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCCN1C ZINC000343533283 445239701 /nfs/dbraw/zinc/23/97/01/445239701.db2.gz WPPJUAVMSVRUSZ-DGCLKSJQSA-N 0 3 344.375 1.388 20 5 EDBDHN CCN1CCN(CCCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347443902 445238349 /nfs/dbraw/zinc/23/83/49/445238349.db2.gz ZQVXODBVVHRFMB-UHFFFAOYSA-N 0 3 344.419 1.978 20 5 EDBDHN NC(=O)c1ccc(CN[C@H]2CCC[C@@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000348519133 445311924 /nfs/dbraw/zinc/31/19/24/445311924.db2.gz ANQZGGJRCITNTI-JQWIXIFHSA-N 0 3 329.303 1.944 20 5 EDBDHN CN(C)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000351703588 445280928 /nfs/dbraw/zinc/28/09/28/445280928.db2.gz OVAVGDNAHGFUQR-HNNXBMFYSA-N 0 3 345.403 1.471 20 5 EDBDHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCOC1 ZINC000348138457 445286820 /nfs/dbraw/zinc/28/68/20/445286820.db2.gz TVVRKPWFHLIPRA-GXTWGEPZSA-N 0 3 333.388 1.889 20 5 EDBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000348142375 445287846 /nfs/dbraw/zinc/28/78/46/445287846.db2.gz NFPOPKJTAOXMKA-OLZOCXBDSA-N 0 3 342.417 1.773 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@@H]1CCCOC1 ZINC000348144817 445288284 /nfs/dbraw/zinc/28/82/84/445288284.db2.gz RAPRZLXAETZHLG-NWDGAFQWSA-N 0 3 337.376 1.947 20 5 EDBDHN CN(C)CCN(CC1CCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354702016 445345225 /nfs/dbraw/zinc/34/52/25/445345225.db2.gz TWMRYIIMEXMDNA-UHFFFAOYSA-N 0 3 338.412 1.157 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CO)C1CCOCC1 ZINC000359879736 445471652 /nfs/dbraw/zinc/47/16/52/445471652.db2.gz UFWCLQIVLRTZIC-OAHLLOKOSA-N 0 3 337.376 1.219 20 5 EDBDHN CCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000357287919 445527212 /nfs/dbraw/zinc/52/72/12/445527212.db2.gz JVIOZDODAOVDSC-CQSZACIVSA-N 0 3 348.403 1.832 20 5 EDBDHN CN(C)CCOc1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000355852848 445506185 /nfs/dbraw/zinc/50/61/85/445506185.db2.gz VUSQTRORJGAQDO-UHFFFAOYSA-N 0 3 333.348 1.521 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358701648 445727020 /nfs/dbraw/zinc/72/70/20/445727020.db2.gz HMYCLRYRQZQHLZ-BLLLJJGKSA-N 0 3 336.392 1.330 20 5 EDBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356469634 445808049 /nfs/dbraw/zinc/80/80/49/445808049.db2.gz UZNXDBBYKSEBFZ-JSGCOSHPSA-N 0 3 343.387 1.894 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000353914953 445810815 /nfs/dbraw/zinc/81/08/15/445810815.db2.gz RAYWBAAZSOAYRX-UHFFFAOYSA-N 0 3 346.391 2.559 20 5 EDBDHN CN1CCC(N2CC[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000369265366 446031112 /nfs/dbraw/zinc/03/11/12/446031112.db2.gz GDEIRPLQLDIRBJ-LBPRGKRZSA-N 0 3 338.433 1.555 20 5 EDBDHN CN1CCC(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000369274084 446041211 /nfs/dbraw/zinc/04/12/11/446041211.db2.gz MJQJSFGDKBDZMA-LLVKDONJSA-N 0 3 338.433 1.555 20 5 EDBDHN CCO[C@@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000583867501 326155692 /nfs/dbraw/zinc/15/56/92/326155692.db2.gz NQZHBYPTWHKDTL-HOTGVXAUSA-N 0 3 334.376 1.520 20 5 EDBDHN O=[N+]([O-])c1ccc(CN2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC000374998235 446502734 /nfs/dbraw/zinc/50/27/34/446502734.db2.gz MCBAYHIPOVNBDT-UHFFFAOYSA-N 0 3 335.404 1.254 20 5 EDBDHN Cc1c(NC(=O)CCN2CCNC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000420340734 446511790 /nfs/dbraw/zinc/51/17/90/446511790.db2.gz UFJCXDXSGOIFIF-MRXNPFEDSA-N 0 3 338.383 1.865 20 5 EDBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000411703566 446652816 /nfs/dbraw/zinc/65/28/16/446652816.db2.gz XHGDAKOTHPELJY-OAHLLOKOSA-N 0 3 337.376 1.661 20 5 EDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368199268 446703919 /nfs/dbraw/zinc/70/39/19/446703919.db2.gz FPGWDHUXRIOLGA-VWYCJHECSA-N 0 3 327.381 1.892 20 5 EDBDHN O=C(CNC[C@@H]1CCCO1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423852785 446731363 /nfs/dbraw/zinc/73/13/63/446731363.db2.gz UIPBPBBNTQWCNB-LBPRGKRZSA-N 0 3 327.768 1.633 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCCN1CCO ZINC000454157815 446793808 /nfs/dbraw/zinc/79/38/08/446793808.db2.gz YWWYNGWDDUZDJE-CQSZACIVSA-N 0 3 336.392 1.872 20 5 EDBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000423979062 446803801 /nfs/dbraw/zinc/80/38/01/446803801.db2.gz OYVHQZDKKUHYEK-ZDUSSCGKSA-N 0 3 331.376 1.629 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)CC[C@@H]1C ZINC000421022855 446993017 /nfs/dbraw/zinc/99/30/17/446993017.db2.gz PEUXLQXMHWRKOJ-AAEUAGOBSA-N 0 3 337.376 1.777 20 5 EDBDHN CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372478034 447075507 /nfs/dbraw/zinc/07/55/07/447075507.db2.gz NBJIGUKLCSMQBB-DZGCQCFKSA-N 0 3 335.408 1.829 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3CNc4ccnn4C3)C2)nc1 ZINC000619266189 450439161 /nfs/dbraw/zinc/43/91/61/450439161.db2.gz ZZAKQUVKULZMFC-CHWSQXEVSA-N 0 3 343.391 1.414 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2CCOC[C@H]2C1 ZINC000368816391 447130421 /nfs/dbraw/zinc/13/04/21/447130421.db2.gz KAJYYEYANVFHGB-OAHLLOKOSA-N 0 3 348.403 1.248 20 5 EDBDHN O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000372749691 447267752 /nfs/dbraw/zinc/26/77/52/447267752.db2.gz ILNJPZUKJOJGLE-KGLIPLIRSA-N 0 3 328.372 2.418 20 5 EDBDHN Cc1cc(OCC(=O)NC[C@](C)(O)CCN(C)C)ccc1[N+](=O)[O-] ZINC000419999300 447537084 /nfs/dbraw/zinc/53/70/84/447537084.db2.gz OGFQDEDJRZPROE-MRXNPFEDSA-N 0 3 339.392 1.101 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457203908 447540669 /nfs/dbraw/zinc/54/06/69/447540669.db2.gz JHXJJFUZJJSXAJ-UHFFFAOYSA-N 0 3 331.376 1.851 20 5 EDBDHN C[C@H](C(=O)NC[C@](C)(O)CCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000420021175 447550207 /nfs/dbraw/zinc/55/02/07/447550207.db2.gz UEKPLKCGVRNWRQ-MEDUHNTESA-N 0 3 341.383 1.656 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1C ZINC000525032173 447966071 /nfs/dbraw/zinc/96/60/71/447966071.db2.gz VMQAOCVRUCMCJU-MNOVXSKESA-N 0 3 335.360 1.878 20 5 EDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000576511698 448070980 /nfs/dbraw/zinc/07/09/80/448070980.db2.gz NKYCBBGNBOTQKS-DZGCQCFKSA-N 0 3 341.371 1.664 20 5 EDBDHN C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000565371127 448366526 /nfs/dbraw/zinc/36/65/26/448366526.db2.gz BVDTWRIOHMCWRJ-FZMZJTMJSA-N 0 3 343.387 1.993 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H](CO)c1cccnc1 ZINC000566233956 448423545 /nfs/dbraw/zinc/42/35/45/448423545.db2.gz ODWKROYVJAUGAO-GJZGRUSLSA-N 0 3 347.371 1.095 20 5 EDBDHN O=C([C@H]1CNCCC1(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000591686475 448451854 /nfs/dbraw/zinc/45/18/54/448451854.db2.gz HLEVNXUOSKVIFR-LLVKDONJSA-N 0 3 343.334 1.200 20 5 EDBDHN Cc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c(=O)n1C ZINC000516762478 448469614 /nfs/dbraw/zinc/46/96/14/448469614.db2.gz BHCTUQBNVVLLQR-UHFFFAOYSA-N 0 3 344.371 1.720 20 5 EDBDHN C[C@H]1CCCN(CCNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000585703490 448742459 /nfs/dbraw/zinc/74/24/59/448742459.db2.gz ZVZRXVBTLDDRTD-LBPRGKRZSA-N 0 3 347.419 1.929 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@H]1C(F)F ZINC000579354542 448776409 /nfs/dbraw/zinc/77/64/09/448776409.db2.gz CTMYPTLTLHFIQT-LBPRGKRZSA-N 0 3 328.319 1.381 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2cscn2)cc1 ZINC000579465242 448800091 /nfs/dbraw/zinc/80/00/91/448800091.db2.gz PRSUAKRKLKSKGZ-UHFFFAOYSA-N 0 3 341.414 1.657 20 5 EDBDHN O=C(C[C@@H]1CSCCN1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000579586371 448827203 /nfs/dbraw/zinc/82/72/03/448827203.db2.gz MCOMAFKEHOSTMR-LLVKDONJSA-N 0 3 347.400 2.019 20 5 EDBDHN COCCN(C)C[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568649885 448902746 /nfs/dbraw/zinc/90/27/46/448902746.db2.gz PGHDOTMOEFABBM-ZDUSSCGKSA-N 0 3 325.409 1.359 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cnc3n2CCCC3)c1 ZINC000574632245 448920079 /nfs/dbraw/zinc/92/00/79/448920079.db2.gz ZAKXMGYAPMYOCO-OAHLLOKOSA-N 0 3 346.387 1.657 20 5 EDBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593578806 449086081 /nfs/dbraw/zinc/08/60/81/449086081.db2.gz ZKMWXGRRALTXRP-UHFFFAOYSA-N 0 3 344.437 1.732 20 5 EDBDHN O=C(CCN1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595727954 449134921 /nfs/dbraw/zinc/13/49/21/449134921.db2.gz GUTARNSGDITGGO-STQMWFEESA-N 0 3 346.387 1.524 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000590442961 449164904 /nfs/dbraw/zinc/16/49/04/449164904.db2.gz CHIMCFXHTSTXJA-LRDDRELGSA-N 0 3 341.371 1.557 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595788427 449167294 /nfs/dbraw/zinc/16/72/94/449167294.db2.gz NTLCPXXTTOXZAL-JKSUJKDBSA-N 0 3 338.408 1.433 20 5 EDBDHN CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986170 449138176 /nfs/dbraw/zinc/13/81/76/449138176.db2.gz PFDMELBYXQARGK-UHFFFAOYSA-N 0 3 349.387 1.938 20 5 EDBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593114622 449141446 /nfs/dbraw/zinc/14/14/46/449141446.db2.gz CGEMSJQAFZWHJX-WBMJQRKESA-N 0 3 348.378 1.953 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000590589900 449204574 /nfs/dbraw/zinc/20/45/74/449204574.db2.gz SKPYWRJGTXVDBF-NWDGAFQWSA-N 0 3 327.406 1.616 20 5 EDBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000598062782 449224455 /nfs/dbraw/zinc/22/44/55/449224455.db2.gz VIAYOXBHNARZRE-UHFFFAOYSA-N 0 3 344.375 1.355 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611223180 449225348 /nfs/dbraw/zinc/22/53/48/449225348.db2.gz BNRDKPSSGWRTFH-VXGBXAGGSA-N 0 3 335.360 1.370 20 5 EDBDHN CSc1ccc(C(=O)Nc2nn(C)c(C)c2CN)cc1[N+](=O)[O-] ZINC000595960378 449282979 /nfs/dbraw/zinc/28/29/79/449282979.db2.gz DHOMWJWRCGLTKF-UHFFFAOYSA-N 0 3 335.389 2.070 20 5 EDBDHN CCCN1CC[C@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000598342516 449356600 /nfs/dbraw/zinc/35/66/00/449356600.db2.gz JVFMAPXXGPXUMR-ZDUSSCGKSA-N 0 3 335.360 1.596 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596108689 449365497 /nfs/dbraw/zinc/36/54/97/449365497.db2.gz YEORGPLWMIQZKN-UHFFFAOYSA-N 0 3 340.449 1.955 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCC(OC)CC2)c1 ZINC000611755462 449407993 /nfs/dbraw/zinc/40/79/93/449407993.db2.gz VBCPXZNFVMSUAG-UHFFFAOYSA-N 0 3 337.376 1.904 20 5 EDBDHN CN1CCN(CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611699896 449387105 /nfs/dbraw/zinc/38/71/05/449387105.db2.gz IUDLEJXXAPSYGU-UHFFFAOYSA-N 0 3 330.392 1.587 20 5 EDBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN(C[C@@H]4CCOC4)CC3)c2c1 ZINC000611708425 449390225 /nfs/dbraw/zinc/39/02/25/449390225.db2.gz OBIGUWCUIFUJBT-ZDUSSCGKSA-N 0 3 343.387 1.697 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCN1 ZINC000598571211 449470484 /nfs/dbraw/zinc/47/04/84/449470484.db2.gz HYFRUIRVJBDBRM-AWEZNQCLSA-N 0 3 343.387 1.851 20 5 EDBDHN CC(=O)c1cc(N2CCC(N3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596540572 449545619 /nfs/dbraw/zinc/54/56/19/449545619.db2.gz URPBQAYQOUTVER-HNNXBMFYSA-N 0 3 333.388 1.833 20 5 EDBDHN CN(CC1CN(C)C1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000596452937 449510640 /nfs/dbraw/zinc/51/06/40/449510640.db2.gz IOKMILQOKBMVNV-UHFFFAOYSA-N 0 3 334.420 1.425 20 5 EDBDHN CC1(C)CC[C@H](CO)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598647028 449517171 /nfs/dbraw/zinc/51/71/71/449517171.db2.gz JQURRXWSILVFCG-CABCVRRESA-N 0 3 338.404 1.817 20 5 EDBDHN CC1(C)CC[C@H](CO)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000598650011 449520091 /nfs/dbraw/zinc/52/00/91/449520091.db2.gz WYYNNDMVXAZSKX-KGLIPLIRSA-N 0 3 338.404 1.817 20 5 EDBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000598736610 449571106 /nfs/dbraw/zinc/57/11/06/449571106.db2.gz DADUOWPPRRQAPM-LBPRGKRZSA-N 0 3 331.332 1.137 20 5 EDBDHN CN(CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000600816290 449560470 /nfs/dbraw/zinc/56/04/70/449560470.db2.gz NZKXLCJDAAISAU-UHFFFAOYSA-N 0 3 332.404 1.728 20 5 EDBDHN Cc1cc(N2CCN3C[C@H](O)C[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000594601385 449588802 /nfs/dbraw/zinc/58/88/02/449588802.db2.gz ABOQSJXIXLJKDL-QWHCGFSZSA-N 0 3 328.372 1.707 20 5 EDBDHN CC(C)[C@@H]1CNCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000600951510 449612542 /nfs/dbraw/zinc/61/25/42/449612542.db2.gz RECUXCVYZABDAU-AWEZNQCLSA-N 0 3 327.406 1.433 20 5 EDBDHN CS(=O)(=O)c1ccc(N2CCc3nccc(N)c3C2)c([N+](=O)[O-])c1 ZINC000598943205 449661935 /nfs/dbraw/zinc/66/19/35/449661935.db2.gz RDJCWRYJXIZGES-UHFFFAOYSA-N 0 3 348.384 1.538 20 5 EDBDHN C[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000601135847 449708315 /nfs/dbraw/zinc/70/83/15/449708315.db2.gz JQEOMTQHGLXCMW-JSGCOSHPSA-N 0 3 337.399 1.591 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+]C23CCC3)cc1C ZINC000599106458 449739076 /nfs/dbraw/zinc/73/90/76/449739076.db2.gz ISJTVUQXPPTNQJ-CQSZACIVSA-N 0 3 339.417 1.775 20 5 EDBDHN C[C@H](C(=O)NCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617690061 449736835 /nfs/dbraw/zinc/73/68/35/449736835.db2.gz OTZONHKRQIADKT-AWEZNQCLSA-N 0 3 334.420 1.452 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602852709 449859357 /nfs/dbraw/zinc/85/93/57/449859357.db2.gz GMMWEEVNAFNEOR-ZBFHGGJFSA-N 0 3 331.376 1.427 20 5 EDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000602954292 449954984 /nfs/dbraw/zinc/95/49/84/449954984.db2.gz UHXZOXZBUUOGGO-LBPRGKRZSA-N 0 3 335.408 1.914 20 5 EDBDHN NC1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC2(CCC2)C1 ZINC000595252070 449977547 /nfs/dbraw/zinc/97/75/47/449977547.db2.gz AEYKGGQBTSEQSA-UHFFFAOYSA-N 0 3 333.392 1.616 20 5 EDBDHN CCCN1CC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595357009 450072560 /nfs/dbraw/zinc/07/25/60/450072560.db2.gz WIGVJLZCCFTHLL-AWEZNQCLSA-N 0 3 341.433 1.541 20 5 EDBDHN Cc1nccc([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000610336011 450194828 /nfs/dbraw/zinc/19/48/28/450194828.db2.gz KAPHLRNGRANJBQ-HIFRSBDPSA-N 0 3 346.391 1.130 20 5 EDBDHN Cc1sc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)cc1[N+](=O)[O-] ZINC000603314509 450238417 /nfs/dbraw/zinc/23/84/17/450238417.db2.gz UASDJLCSIZQZIN-NXEZZACHSA-N 0 3 333.435 1.726 20 5 EDBDHN COC(=O)COc1ccc(CNCC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000616088129 450318363 /nfs/dbraw/zinc/31/83/63/450318363.db2.gz KSFYJPAXEYGLGM-CYBMUJFWSA-N 0 3 338.360 1.805 20 5 EDBDHN CO[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000619429028 450471480 /nfs/dbraw/zinc/47/14/80/450471480.db2.gz OIINTTDLSPGGOX-GXTWGEPZSA-N 0 3 342.417 1.916 20 5 EDBDHN COc1ccc(-c2ccc(CNC[C@@](C)(O)CO)o2)c([N+](=O)[O-])c1 ZINC000619464272 450481372 /nfs/dbraw/zinc/48/13/72/450481372.db2.gz JXPVBPVWWIANOA-MRXNPFEDSA-N 0 3 336.344 1.696 20 5 EDBDHN C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000184232990 534069477 /nfs/dbraw/zinc/06/94/77/534069477.db2.gz WRKXRIAFMVDKGC-ZDUSSCGKSA-N 0 3 341.433 1.746 20 5 EDBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000158973232 534627856 /nfs/dbraw/zinc/62/78/56/534627856.db2.gz RFDVDYQMMPYDCI-CYBMUJFWSA-N 0 3 329.360 1.885 20 5 EDBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000158973232 534627863 /nfs/dbraw/zinc/62/78/63/534627863.db2.gz RFDVDYQMMPYDCI-CYBMUJFWSA-N 0 3 329.360 1.885 20 5 EDBDHN CC(C)(C)CC[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000187912727 527669902 /nfs/dbraw/zinc/66/99/02/527669902.db2.gz UBTFOPFVMDSQJC-UHFFFAOYSA-N 0 3 329.422 1.899 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175057822 528136699 /nfs/dbraw/zinc/13/66/99/528136699.db2.gz MFSIHTIOAORLSR-UHFFFAOYSA-N 0 3 329.422 1.832 20 5 EDBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000339863449 535889491 /nfs/dbraw/zinc/88/94/91/535889491.db2.gz FSPGDCUUILSHRB-UHFFFAOYSA-N 0 3 336.377 1.156 20 5 EDBDHN CC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)nn(C)c1C ZINC000347950188 535910422 /nfs/dbraw/zinc/91/04/22/535910422.db2.gz CHKUGOQNXUVZOO-KBPBESRZSA-N 0 3 336.396 1.243 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000353211792 536476640 /nfs/dbraw/zinc/47/66/40/536476640.db2.gz VFFPDHQTEBNCQC-JSGCOSHPSA-N 0 3 338.360 1.540 20 5 EDBDHN COc1cc(C(=O)NCCN2CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000742238753 579444417 /nfs/dbraw/zinc/44/44/17/579444417.db2.gz BBUGEPFFUJZPSO-LLVKDONJSA-N 0 3 337.376 1.826 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@@H]1C ZINC000743980694 579496661 /nfs/dbraw/zinc/49/66/61/579496661.db2.gz GXSWQGZOHZZUFT-LBPRGKRZSA-N 0 3 334.376 1.442 20 5 EDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729502351 578578057 /nfs/dbraw/zinc/57/80/57/578578057.db2.gz SMNNIQUPEYYOMX-CABCVRRESA-N 0 3 348.403 1.599 20 5 EDBDHN CC(C)(C)OC(=O)NCCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731678227 578678491 /nfs/dbraw/zinc/67/84/91/578678491.db2.gz JLWGVDUDUWGHJF-ZDUSSCGKSA-N 0 3 325.365 1.743 20 5 EDBDHN CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCN(C2CC2)C1 ZINC000732187978 578696075 /nfs/dbraw/zinc/69/60/75/578696075.db2.gz CJMZGCHYLNRRHT-CYBMUJFWSA-N 0 3 332.360 1.629 20 5 EDBDHN CC(C)[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735759259 578921204 /nfs/dbraw/zinc/92/12/04/578921204.db2.gz QQGQFMKTUDYSJC-CQSZACIVSA-N 0 3 331.380 1.551 20 5 EDBDHN CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735759259 578921206 /nfs/dbraw/zinc/92/12/06/578921206.db2.gz QQGQFMKTUDYSJC-CQSZACIVSA-N 0 3 331.380 1.551 20 5 EDBDHN C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736295985 578973721 /nfs/dbraw/zinc/97/37/21/578973721.db2.gz ZMIKYPKWYFGAAC-JQWIXIFHSA-N 0 3 329.364 1.448 20 5 EDBDHN C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736295985 578973722 /nfs/dbraw/zinc/97/37/22/578973722.db2.gz ZMIKYPKWYFGAAC-JQWIXIFHSA-N 0 3 329.364 1.448 20 5 EDBDHN O=[N+]([O-])c1cc(CNCC2(CO)COC2)ccc1N1CCCCC1 ZINC000746753172 579609027 /nfs/dbraw/zinc/60/90/27/579609027.db2.gz CLLNYCQSSJMRBT-UHFFFAOYSA-N 0 3 335.404 1.684 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000747230527 579634639 /nfs/dbraw/zinc/63/46/39/579634639.db2.gz TYUIFIBWXLTCIC-CHWSQXEVSA-N 0 3 344.371 1.669 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](CCO)C1CC1 ZINC000763055658 580091275 /nfs/dbraw/zinc/09/12/75/580091275.db2.gz JEHSPKIXTPIQSE-MFKMUULPSA-N 0 3 337.376 1.681 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(NC3CCN(C[C@@H]4CCCO4)CC3)nn21 ZINC000767201378 580183660 /nfs/dbraw/zinc/18/36/60/580183660.db2.gz CQIAZVHEDCZHNA-ZDUSSCGKSA-N 0 3 346.391 1.693 20 5 EDBDHN CN(CCN1CCCC1)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781964863 580561890 /nfs/dbraw/zinc/56/18/90/580561890.db2.gz MFNQNUNKLLDMKK-MRXNPFEDSA-N 0 3 346.387 1.642 20 5 EDBDHN Cc1c(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000790293236 580766253 /nfs/dbraw/zinc/76/62/53/580766253.db2.gz VJKXCXAVVLBRSJ-HUUCEWRRSA-N 0 3 348.403 1.566 20 5 EDBDHN CC(COC(=O)CN(C)C(=O)c1ccc(Br)o1)[N+](=O)[O-] ZINC000813101652 590807762 /nfs/dbraw/zinc/80/77/62/590807762.db2.gz GFQIYXVLYMSQKV-ZETCQYMHSA-N 0 3 349.137 1.323 20 5 EDBDHN COc1ccc(CNC(=O)C2CN(C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000895812773 591279027 /nfs/dbraw/zinc/27/90/27/591279027.db2.gz YSPKGIFGWVSEPC-UHFFFAOYSA-N 0 3 349.387 1.330 20 5 EDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000907549767 592703095 /nfs/dbraw/zinc/70/30/95/592703095.db2.gz WBSLXYXGKKYADM-RISCZKNCSA-N 0 3 325.390 1.167 20 5 EDBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CCN(CC2CC2)C1 ZINC000731019904 592920494 /nfs/dbraw/zinc/92/04/94/592920494.db2.gz LWFQZKRNJPHWRP-AWEZNQCLSA-N 0 3 343.387 1.545 20 5 EDBDHN O=C(C1=NO[C@]2(C1)CCCNC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912183438 593069491 /nfs/dbraw/zinc/06/94/91/593069491.db2.gz NBGSEYZIHKWEEZ-INIZCTEOSA-N 0 3 330.344 1.382 20 5 EDBDHN O=C(OCCn1cc([N+](=O)[O-])ccc1=O)C1CN(C2CCCCC2)C1 ZINC000838462142 593171003 /nfs/dbraw/zinc/17/10/03/593171003.db2.gz AFSLGNTXRKLXOY-UHFFFAOYSA-N 0 3 349.387 1.564 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C[C@@H]2C1 ZINC000812332882 593497824 /nfs/dbraw/zinc/49/78/24/593497824.db2.gz MBUMXMQSJICAPO-NEPJUHHUSA-N 0 3 347.371 1.390 20 5 EDBDHN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813105398 593517916 /nfs/dbraw/zinc/51/79/16/593517916.db2.gz LZAQDQMVPWZUEF-STQMWFEESA-N 0 3 329.397 1.663 20 5 EDBDHN CCOc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813115291 593518932 /nfs/dbraw/zinc/51/89/32/593518932.db2.gz OIZNXVBQQAAJNG-VXGBXAGGSA-N 0 3 336.344 1.647 20 5 EDBDHN CN(C[C@H]1CCCN1C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000817375737 593598487 /nfs/dbraw/zinc/59/84/87/593598487.db2.gz ZLXDUUNOGKRESV-CQSZACIVSA-N 0 3 347.419 1.820 20 5 EDBDHN COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618405 593644381 /nfs/dbraw/zinc/64/43/81/593644381.db2.gz KVGOZVLHNXAHTB-HZUKXOBISA-N 0 3 339.392 1.648 20 5 EDBDHN O=C(NCCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000818963057 593730481 /nfs/dbraw/zinc/73/04/81/593730481.db2.gz DXHPYHHYLGXRAU-CYBMUJFWSA-N 0 3 335.385 1.709 20 5 EDBDHN CO[C@@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000819067279 593737133 /nfs/dbraw/zinc/73/71/33/593737133.db2.gz HMMSKLKNFCBHDZ-CABZTGNLSA-N 0 3 338.282 1.501 20 5 EDBDHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000819305081 593749710 /nfs/dbraw/zinc/74/97/10/593749710.db2.gz LWPIXFHOXCKUHA-GXFFZTMASA-N 0 3 328.390 1.184 20 5 EDBDHN CN(CC[NH+](C)C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821584789 593869862 /nfs/dbraw/zinc/86/98/62/593869862.db2.gz SGYNOUCIOONUNN-UHFFFAOYSA-N 0 3 342.363 1.321 20 5 EDBDHN CN(CC[NH+](C)C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821584789 593869865 /nfs/dbraw/zinc/86/98/65/593869865.db2.gz SGYNOUCIOONUNN-UHFFFAOYSA-N 0 3 342.363 1.321 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000824030907 593912633 /nfs/dbraw/zinc/91/26/33/593912633.db2.gz QRYFZPMCAGUYSD-CYBMUJFWSA-N 0 3 348.403 1.404 20 5 EDBDHN O=C(N[C@@H]1CCCN(CCCO)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821057156 593955513 /nfs/dbraw/zinc/95/55/13/593955513.db2.gz MVDNKFKVAPRJNV-OIISXLGYSA-N 0 3 347.415 1.661 20 5 EDBDHN CC[N@H+](C)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821165786 593980886 /nfs/dbraw/zinc/98/08/86/593980886.db2.gz WAQLJUPUOIAYIT-LLVKDONJSA-N 0 3 331.380 1.553 20 5 EDBDHN CC[N@@H+](C)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821165786 593980888 /nfs/dbraw/zinc/98/08/88/593980888.db2.gz WAQLJUPUOIAYIT-LLVKDONJSA-N 0 3 331.380 1.553 20 5 EDBDHN CC[N@H+](C)C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821165786 593980890 /nfs/dbraw/zinc/98/08/90/593980890.db2.gz WAQLJUPUOIAYIT-LLVKDONJSA-N 0 3 331.380 1.553 20 5 EDBDHN CC[N@@H+](C)C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821165786 593980892 /nfs/dbraw/zinc/98/08/92/593980892.db2.gz WAQLJUPUOIAYIT-LLVKDONJSA-N 0 3 331.380 1.553 20 5 EDBDHN C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000825079207 594127066 /nfs/dbraw/zinc/12/70/66/594127066.db2.gz NXTCSHLSBLSCGK-IOASZLSFSA-N 0 3 335.404 1.865 20 5 EDBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000828699184 594481888 /nfs/dbraw/zinc/48/18/88/594481888.db2.gz VNSUTOZXNBQUNG-UHFFFAOYSA-N 0 3 329.784 1.601 20 5 EDBDHN CCO[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)CN(C)C ZINC000831714439 594695346 /nfs/dbraw/zinc/69/53/46/594695346.db2.gz WEYLUUDPUCDYCB-JTQLQIEISA-N 0 3 329.784 1.945 20 5 EDBDHN CCO[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])CN(C)C ZINC000831737126 594697702 /nfs/dbraw/zinc/69/77/02/594697702.db2.gz CTSALSUXTBSFCJ-JTQLQIEISA-N 0 3 329.784 1.945 20 5 EDBDHN CC([C@@H](OC(=O)CCCS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874015 595085271 /nfs/dbraw/zinc/08/52/71/595085271.db2.gz GLAYVWOFRRGKBJ-QMTHXVAHSA-N 0 3 347.364 1.900 20 5 EDBDHN CC(COC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1)[N+](=O)[O-] ZINC000842363352 595086729 /nfs/dbraw/zinc/08/67/29/595086729.db2.gz GNLTVZZYFARLEC-SNVBAGLBSA-N 0 3 327.358 1.835 20 5 EDBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN[C@@H](C)C1 ZINC000842473444 595113822 /nfs/dbraw/zinc/11/38/22/595113822.db2.gz JTAALXWTTAAGJW-VHSXEESVSA-N 0 3 326.784 1.869 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000843093303 595285951 /nfs/dbraw/zinc/28/59/51/595285951.db2.gz GIAAPDIDJVZXLL-RDJZCZTQSA-N 0 3 334.347 1.961 20 5 EDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000855809907 595828391 /nfs/dbraw/zinc/82/83/91/595828391.db2.gz OVHMKGNTCRHCOI-NSHDSACASA-N 0 3 333.392 1.709 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@@H]2NCc3ccccc32)n1 ZINC000854153038 595991805 /nfs/dbraw/zinc/99/18/05/595991805.db2.gz CSWVETCKDCBQFW-NSHDSACASA-N 0 3 326.316 1.765 20 5 EDBDHN COC(=O)c1ccnc(NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000856726387 596061136 /nfs/dbraw/zinc/06/11/36/596061136.db2.gz FHFWEMXGYOVCME-WDEREUQCSA-N 0 3 336.348 1.052 20 5 EDBDHN O=C(CN1CC[C@@H]2C[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852636572 596214778 /nfs/dbraw/zinc/21/47/78/596214778.db2.gz XPIKEEFUGWEPRY-HUUCEWRRSA-N 0 3 344.415 1.585 20 5 EDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000865485526 596588010 /nfs/dbraw/zinc/58/80/10/596588010.db2.gz RZJWNQZVFRMTMQ-IUCAKERBSA-N 0 3 349.313 1.622 20 5 EDBDHN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cs1 ZINC000119520202 596610705 /nfs/dbraw/zinc/61/07/05/596610705.db2.gz ZWYQXIGLANCSSX-SECBINFHSA-N 0 3 331.419 1.419 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@@H]3[C@H]2CCCN3C)c(C)c1[N+](=O)[O-] ZINC000874840570 597194216 /nfs/dbraw/zinc/19/42/16/597194216.db2.gz PJBCKTPXTYHYNM-ZIAGYGMSSA-N 0 3 335.408 1.493 20 5 EDBDHN COc1cc(CN2CCC3(CCNC3=O)CC2)c([N+](=O)[O-])cc1OC ZINC000877783262 597556023 /nfs/dbraw/zinc/55/60/23/597556023.db2.gz MABGWDBBIDSRDL-UHFFFAOYSA-N 0 3 349.387 1.714 20 5 EDBDHN COc1cccc([C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CCN2)c1 ZINC000879524883 597618320 /nfs/dbraw/zinc/61/83/20/597618320.db2.gz DQHXVTKIUYCQLG-HNNXBMFYSA-N 0 3 331.376 1.446 20 5 EDBDHN CC(C)(O)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000879627598 597665083 /nfs/dbraw/zinc/66/50/83/597665083.db2.gz LUOIVMGMQMWADM-CQSZACIVSA-N 0 3 338.404 1.817 20 5 EDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C(C)C ZINC000132377742 597836018 /nfs/dbraw/zinc/83/60/18/597836018.db2.gz ZDZPISHIRFKJTO-UHFFFAOYSA-N 0 3 333.385 1.661 20 5 EDBDHN CSCC(=O)N1CCC(C)(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000939934181 700050056 /nfs/dbraw/zinc/05/00/56/700050056.db2.gz LVSDFZFYNNSMMF-UHFFFAOYSA-N 0 3 341.437 1.162 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000918465503 697169500 /nfs/dbraw/zinc/16/95/00/697169500.db2.gz OSZOIXGZNPLHLB-CYBMUJFWSA-N 0 3 348.403 1.832 20 5 EDBDHN C/C=C(\C)C(=O)N1CCC(C)(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000940041113 700140964 /nfs/dbraw/zinc/14/09/64/700140964.db2.gz WUCFACRHGLDLNW-LFYBBSHMSA-N 0 3 335.408 1.765 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)c2ccoc2)CC1 ZINC000997539615 703796084 /nfs/dbraw/zinc/79/60/84/703796084.db2.gz HOFIUNSXZWYWGO-UHFFFAOYSA-N 0 3 347.375 1.563 20 5 EDBDHN CCc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001034643966 710319933 /nfs/dbraw/zinc/31/99/33/710319933.db2.gz WCYVGNBQEDHYCZ-HBJVGIJOSA-N 0 3 336.392 1.419 20 5 EDBDHN [NH3+]C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000051693416 214100508 /nfs/dbraw/zinc/10/05/08/214100508.db2.gz GLCDLWSVDUGDJA-UHFFFAOYSA-N 0 3 333.797 1.796 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)CC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000103633343 219319155 /nfs/dbraw/zinc/31/91/55/219319155.db2.gz SBEHXOLBCGLQFI-UHFFFAOYSA-N 0 3 348.403 1.642 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000356160433 282807772 /nfs/dbraw/zinc/80/77/72/282807772.db2.gz BWKIBCIAOWPJPE-CQSZACIVSA-N 0 3 343.387 1.895 20 5 EDBDHN Cc1nc(Sc2nnnn2C[C@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000131979576 138368814 /nfs/dbraw/zinc/36/88/14/138368814.db2.gz PMFGVBFZNQSWCO-JTQLQIEISA-N 0 3 335.393 1.388 20 5 EDBDHN O=C1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCCCN12 ZINC000563708955 306345689 /nfs/dbraw/zinc/34/56/89/306345689.db2.gz YUMFLDFDQCAIOA-CWRNSKLLSA-N 0 3 349.387 1.078 20 5 EDBDHN C[C@H]1CCCN(CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173509249 138671042 /nfs/dbraw/zinc/67/10/42/138671042.db2.gz DMBSEVNZNXEHNH-AWEZNQCLSA-N 0 3 334.420 1.879 20 5 EDBDHN Cc1nn(C)c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000110347720 220030708 /nfs/dbraw/zinc/03/07/08/220030708.db2.gz SKCJCGXABCJFDP-LBPRGKRZSA-N 0 3 345.403 1.887 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000078760462 217114827 /nfs/dbraw/zinc/11/48/27/217114827.db2.gz DROXNBYAGITHAY-AWEZNQCLSA-N 0 3 341.433 1.872 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]CC2([NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC000237321291 139047804 /nfs/dbraw/zinc/04/78/04/139047804.db2.gz MCMOJLRIFISAJF-UHFFFAOYSA-N 0 3 343.405 1.543 20 5 EDBDHN Cc1c(C(=O)N2C[C@H](C)NC[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237592691 139055190 /nfs/dbraw/zinc/05/51/90/139055190.db2.gz MMKQIJJTCWHDDW-WDEREUQCSA-N 0 3 344.375 1.306 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)cc1C ZINC000237666825 139057387 /nfs/dbraw/zinc/05/73/87/139057387.db2.gz OLCBMIGXHSJFRG-CYBMUJFWSA-N 0 3 341.433 1.880 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCOc3ccc(F)cc32)c1 ZINC000568620893 306485489 /nfs/dbraw/zinc/48/54/89/306485489.db2.gz QPKFRVCAOFRFCK-OCCSQVGLSA-N 0 3 336.323 1.405 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN3CCCC[C@H]3C2)c1 ZINC000248370141 139160875 /nfs/dbraw/zinc/16/08/75/139160875.db2.gz XCPQKHCUUCOBQV-JKSUJKDBSA-N 0 3 335.404 1.505 20 5 EDBDHN C[C@H]1NCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000262917081 139312560 /nfs/dbraw/zinc/31/25/60/139312560.db2.gz ZADFOOCZMMMCRG-VXGBXAGGSA-N 0 3 329.360 1.603 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000089952300 285189470 /nfs/dbraw/zinc/18/94/70/285189470.db2.gz WTGUKESJWIFHEI-OCCSQVGLSA-N 0 3 326.422 1.778 20 5 EDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000341057271 296427134 /nfs/dbraw/zinc/42/71/34/296427134.db2.gz KCVUGFYQVAQZQC-CHWSQXEVSA-N 0 3 337.424 1.906 20 5 EDBDHN Cc1nn(CCC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000119352486 221301238 /nfs/dbraw/zinc/30/12/38/221301238.db2.gz QADIDHVJGLTRMW-GJZGRUSLSA-N 0 3 349.435 1.741 20 5 EDBDHN COC(=O)c1cnc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488723514 292030225 /nfs/dbraw/zinc/03/02/25/292030225.db2.gz WPUYRSDVTSUYBD-YRGRVCCFSA-N 0 3 348.403 1.943 20 5 EDBDHN COCCCN(C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271739647 140342130 /nfs/dbraw/zinc/34/21/30/140342130.db2.gz VZCKXVMVXCMDSX-CYBMUJFWSA-N 0 3 338.408 1.923 20 5 EDBDHN CCN1C[C@@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000332252053 141147317 /nfs/dbraw/zinc/14/73/17/141147317.db2.gz MBRDDMIKTWMFAO-ZIAGYGMSSA-N 0 3 346.431 1.898 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1 ZINC000346260970 143184538 /nfs/dbraw/zinc/18/45/38/143184538.db2.gz LOKFILMZMABHIF-JHJVBQTASA-N 0 3 335.408 1.614 20 5 EDBDHN Cn1c(C(=O)N2CCC(CN3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000347457196 143323891 /nfs/dbraw/zinc/32/38/91/143323891.db2.gz YLKLVOYBTKGREA-UHFFFAOYSA-N 0 3 349.435 1.033 20 5 EDBDHN COC[C@@H]1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000355739762 150381077 /nfs/dbraw/zinc/38/10/77/150381077.db2.gz TYROXYFBEYXVAE-CYBMUJFWSA-N 0 3 338.360 1.615 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCCN1C ZINC000357944209 151205398 /nfs/dbraw/zinc/20/53/98/151205398.db2.gz UQGUHAUXIYMGNR-DOMZBBRYSA-N 0 3 348.403 1.982 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CCN(C)[C@H]2C1 ZINC000370082655 155317212 /nfs/dbraw/zinc/31/72/12/155317212.db2.gz OLYBZEXIWGZECQ-DOMZBBRYSA-N 0 3 348.403 1.568 20 5 EDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)C1 ZINC000370154575 155351570 /nfs/dbraw/zinc/35/15/70/155351570.db2.gz ACMVTFDLMYGWDS-CYBMUJFWSA-N 0 3 347.419 1.029 20 5 EDBDHN CN(Cc1ccccc1)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370213951 155380395 /nfs/dbraw/zinc/38/03/95/155380395.db2.gz CXADKBGFRBDMLV-INIZCTEOSA-N 0 3 329.404 1.998 20 5 EDBDHN C[C@H](CO)N1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000364932798 153375471 /nfs/dbraw/zinc/37/54/71/153375471.db2.gz JVMSGXVPFDRETI-PSKZRQQASA-N 0 3 333.388 1.523 20 5 EDBDHN O=[N+]([O-])c1cc(CNC[C@@]2(N3CCOCC3)CCCOC2)cs1 ZINC000372006030 156206289 /nfs/dbraw/zinc/20/62/89/156206289.db2.gz GSYSUNDGEFWFAY-HNNXBMFYSA-N 0 3 341.433 1.627 20 5 EDBDHN NCc1cn([C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000575058542 306663813 /nfs/dbraw/zinc/66/38/13/306663813.db2.gz HPNYKQXOVLSRCK-AWEZNQCLSA-N 0 3 330.348 1.122 20 5 EDBDHN CC(=O)NC[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000067419444 287245671 /nfs/dbraw/zinc/24/56/71/287245671.db2.gz ASRSKTXUNCJJGD-AWEZNQCLSA-N 0 3 348.403 1.772 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000122585852 222118651 /nfs/dbraw/zinc/11/86/51/222118651.db2.gz IYRSXQMESQFOQE-CQSZACIVSA-N 0 3 343.387 1.723 20 5 EDBDHN C[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000271731254 273023834 /nfs/dbraw/zinc/02/38/34/273023834.db2.gz NGBBDLIHAMUREO-OLZOCXBDSA-N 0 3 336.392 1.628 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](CCO)C(C)C ZINC000274031131 268099808 /nfs/dbraw/zinc/09/98/08/268099808.db2.gz NSVUGFYAZQZKNK-AAEUAGOBSA-N 0 3 339.392 1.927 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)c(F)ccc1[N+](=O)[O-] ZINC000282296903 273624592 /nfs/dbraw/zinc/62/45/92/273624592.db2.gz BDKCIJNGVXLIPR-JTQLQIEISA-N 0 3 338.339 1.143 20 5 EDBDHN CN1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000284462726 274210994 /nfs/dbraw/zinc/21/09/94/274210994.db2.gz AOHMWNSZYQUFME-CVEARBPZSA-N 0 3 349.387 1.366 20 5 EDBDHN CS(=O)(=O)N1CCCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000353103785 278109103 /nfs/dbraw/zinc/10/91/03/278109103.db2.gz TTXXFFMLDVZXDO-AWEZNQCLSA-N 0 3 327.406 1.499 20 5 EDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000294964447 303157667 /nfs/dbraw/zinc/15/76/67/303157667.db2.gz LGBWNFXKRRMBQD-LLVKDONJSA-N 0 3 333.392 1.753 20 5 EDBDHN CN(C)C[C@@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296033807 303290965 /nfs/dbraw/zinc/29/09/65/303290965.db2.gz ZZFUZUKKWHUMCF-ZDUSSCGKSA-N 0 3 333.388 1.968 20 5 EDBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451586008 305355052 /nfs/dbraw/zinc/35/50/52/305355052.db2.gz FIYXDOLSCSYJTA-CABCVRRESA-N 0 3 349.387 1.879 20 5 EDBDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457119797 305482957 /nfs/dbraw/zinc/48/29/57/305482957.db2.gz ISAWEKJUYHOMAE-KBPBESRZSA-N 0 3 347.419 1.511 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccccc1CO ZINC000519715365 305773414 /nfs/dbraw/zinc/77/34/14/305773414.db2.gz WLNHQRFTHKDWRP-HNNXBMFYSA-N 0 3 332.356 1.617 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000521461144 305789982 /nfs/dbraw/zinc/78/99/82/305789982.db2.gz WVGRAZIVACWYFU-GFCCVEGCSA-N 0 3 336.392 1.008 20 5 EDBDHN COc1ccc(CC(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000543754768 306069330 /nfs/dbraw/zinc/06/93/30/306069330.db2.gz GSEUWMRZEGBWJG-GFCCVEGCSA-N 0 3 333.388 1.913 20 5 EDBDHN C[C@@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000046408817 441107009 /nfs/dbraw/zinc/10/70/09/441107009.db2.gz YGTNGUKMXMFFRE-ZDUSSCGKSA-N 0 3 348.403 1.315 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC[C@H](C)N(C)C2CC2)cc([N+](=O)[O-])c1 ZINC000057721165 441131068 /nfs/dbraw/zinc/13/10/68/441131068.db2.gz DELJFNLALHXSIH-NSHDSACASA-N 0 3 349.387 1.984 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c1C ZINC000104748527 441203942 /nfs/dbraw/zinc/20/39/42/441203942.db2.gz LLAFUMOGCUAADP-ZDUSSCGKSA-N 0 3 341.433 1.784 20 5 EDBDHN CN(C)CCn1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000087235119 441484164 /nfs/dbraw/zinc/48/41/64/441484164.db2.gz AGVXSMWMEXPCKZ-UHFFFAOYSA-N 0 3 331.376 1.924 20 5 EDBDHN CN1CCC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000108406638 441452939 /nfs/dbraw/zinc/45/29/39/441452939.db2.gz HUXAJARFKFAKOS-ZDUSSCGKSA-N 0 3 327.406 1.356 20 5 EDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(CC2CC2)C1 ZINC000108543854 441463203 /nfs/dbraw/zinc/46/32/03/441463203.db2.gz WNKPORDGTVRREG-CQSZACIVSA-N 0 3 347.419 1.790 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCn1cccn1 ZINC000111281180 441531064 /nfs/dbraw/zinc/53/10/64/441531064.db2.gz ARFLRNRGMXUJDP-UHFFFAOYSA-N 0 3 347.375 1.761 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000075889401 441563466 /nfs/dbraw/zinc/56/34/66/441563466.db2.gz KZWYKCNBSAUAAW-MRXNPFEDSA-N 0 3 335.404 1.770 20 5 EDBDHN CC(C)[NH2+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000036299722 441606408 /nfs/dbraw/zinc/60/64/08/441606408.db2.gz FJCAKXDIERSTID-UHFFFAOYSA-N 0 3 335.813 1.915 20 5 EDBDHN CC(C)[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000090015521 441614570 /nfs/dbraw/zinc/61/45/70/441614570.db2.gz VVOVRQSBMSDWOS-HNNXBMFYSA-N 0 3 341.433 1.897 20 5 EDBDHN O=C(NC[C@H]1CN(C2CC2)CCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000114856578 441690565 /nfs/dbraw/zinc/69/05/65/441690565.db2.gz DGEBICNPEMRQNY-LBPRGKRZSA-N 0 3 345.359 1.064 20 5 EDBDHN O=C(NC1CC1)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000055912186 441673425 /nfs/dbraw/zinc/67/34/25/441673425.db2.gz VTMBVHMRQNLNNJ-UHFFFAOYSA-N 0 3 333.388 1.964 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000068132477 441740575 /nfs/dbraw/zinc/74/05/75/441740575.db2.gz XLCIMPQBOCTKQR-CQSZACIVSA-N 0 3 335.408 1.577 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000115586298 441761922 /nfs/dbraw/zinc/76/19/22/441761922.db2.gz QENSFRIYAKZJLJ-CYBMUJFWSA-N 0 3 341.433 1.866 20 5 EDBDHN CC(C)[C@H](C)NC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174838078 441974191 /nfs/dbraw/zinc/97/41/91/441974191.db2.gz MDMGXBKWYOEKCJ-ZDUSSCGKSA-N 0 3 337.424 1.664 20 5 EDBDHN CCCN(CC)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000175360994 442048929 /nfs/dbraw/zinc/04/89/29/442048929.db2.gz AHWSNOZLZQYHES-UHFFFAOYSA-N 0 3 345.421 1.614 20 5 EDBDHN COc1ccc(CN2CCN(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000175495463 442074050 /nfs/dbraw/zinc/07/40/50/442074050.db2.gz GEPYDEFXBRWISJ-UHFFFAOYSA-N 0 3 335.404 1.900 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000121328652 442203993 /nfs/dbraw/zinc/20/39/93/442203993.db2.gz RFYKYIYQICREBL-LBPRGKRZSA-N 0 3 334.376 1.313 20 5 EDBDHN CCCCN(C)C(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176212909 442192201 /nfs/dbraw/zinc/19/22/01/442192201.db2.gz FXVJWSNHBGHOHU-UHFFFAOYSA-N 0 3 337.424 1.762 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(C3CCOCC3)CC2)c1 ZINC000153328394 442275353 /nfs/dbraw/zinc/27/53/53/442275353.db2.gz GOFYDTGLPBSOHG-INIZCTEOSA-N 0 3 338.408 1.291 20 5 EDBDHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130661770 442352766 /nfs/dbraw/zinc/35/27/66/442352766.db2.gz IHOOWMOXOZYJPV-KBPBESRZSA-N 0 3 346.387 1.118 20 5 EDBDHN COCCCN1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000171123489 442316125 /nfs/dbraw/zinc/31/61/25/442316125.db2.gz FCNJZPZKQXGLPB-UHFFFAOYSA-N 0 3 327.406 1.887 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182075460 442733932 /nfs/dbraw/zinc/73/39/32/442733932.db2.gz HWQAAWBGHKFWDK-ZDUSSCGKSA-N 0 3 345.403 1.736 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CO)c1ccccc1 ZINC000182393744 442763305 /nfs/dbraw/zinc/76/33/05/442763305.db2.gz PBSFHXXALNEMOS-GJZGRUSLSA-N 0 3 332.356 1.658 20 5 EDBDHN COCCN(C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268080544 442839365 /nfs/dbraw/zinc/83/93/65/442839365.db2.gz CYVYKJFSKQJCKF-UHFFFAOYSA-N 0 3 344.799 1.626 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194746028 442948810 /nfs/dbraw/zinc/94/88/10/442948810.db2.gz CILAEAUMXFSQEX-AWEZNQCLSA-N 0 3 343.387 1.580 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCN(C2CC2)CC1 ZINC000194670623 442935194 /nfs/dbraw/zinc/93/51/94/442935194.db2.gz MOTXMLUHWNGAEA-UHFFFAOYSA-N 0 3 348.403 1.983 20 5 EDBDHN COc1cc(CNCC2(O)CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000265872517 442952937 /nfs/dbraw/zinc/95/29/37/442952937.db2.gz MOFVKDPRTCRQPN-UHFFFAOYSA-N 0 3 339.392 1.158 20 5 EDBDHN C[C@@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000254999467 443080297 /nfs/dbraw/zinc/08/02/97/443080297.db2.gz NXNUJJUBUIFMRM-LZNQSLFOSA-N 0 3 346.431 1.608 20 5 EDBDHN COc1ccccc1C(C)(C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266642936 443195286 /nfs/dbraw/zinc/19/52/86/443195286.db2.gz BRRABFIWOZFJRE-CYBMUJFWSA-N 0 3 334.376 1.686 20 5 EDBDHN COCCN(C)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000263697727 443236126 /nfs/dbraw/zinc/23/61/26/443236126.db2.gz ATTIHNZYPQSUJR-UHFFFAOYSA-N 0 3 327.406 1.625 20 5 EDBDHN CCN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000412872682 319246135 /nfs/dbraw/zinc/24/61/35/319246135.db2.gz HJYLAISTGNTNNF-CYBMUJFWSA-N 0 3 348.403 1.255 20 5 EDBDHN CCN1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3COC)C2)CC1 ZINC000266968654 443305966 /nfs/dbraw/zinc/30/59/66/443305966.db2.gz KNWPGBICJSIMLI-QGZVFWFLSA-N 0 3 348.447 1.957 20 5 EDBDHN COc1ccc(NC(=O)N2CCO[C@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000272767000 443438217 /nfs/dbraw/zinc/43/82/17/443438217.db2.gz BJGCNKBMEWNQQB-GFCCVEGCSA-N 0 3 338.364 1.398 20 5 EDBDHN CCN1CCCC[C@@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000267527965 443486946 /nfs/dbraw/zinc/48/69/46/443486946.db2.gz OYAHCXAKOABPIT-GFCCVEGCSA-N 0 3 342.421 1.529 20 5 EDBDHN C[C@@H]1CCN[C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000423408343 319772733 /nfs/dbraw/zinc/77/27/33/319772733.db2.gz ADFZCKIWVFTLES-MBNYWOFBSA-N 0 3 333.392 1.391 20 5 EDBDHN O=C(C[C@H]1CSCCN1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846017 319821972 /nfs/dbraw/zinc/82/19/72/319821972.db2.gz NHESOQDVIQJTKX-JTQLQIEISA-N 0 3 329.809 1.960 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1C ZINC000265210124 443570382 /nfs/dbraw/zinc/57/03/82/443570382.db2.gz CYXPDMDFUQSPAF-ZDUSSCGKSA-N 0 3 341.433 1.926 20 5 EDBDHN COC(=O)CC1(NCc2ccc([N+](=O)[O-])c(F)c2)CCOCC1 ZINC000283325070 443602370 /nfs/dbraw/zinc/60/23/70/443602370.db2.gz ZXFYQUVZWKTUTA-UHFFFAOYSA-N 0 3 326.324 1.936 20 5 EDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000440071568 320061565 /nfs/dbraw/zinc/06/15/65/320061565.db2.gz BKJHJEHCAVXLNJ-LBPRGKRZSA-N 0 3 329.422 1.745 20 5 EDBDHN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447251419 320140234 /nfs/dbraw/zinc/14/02/34/320140234.db2.gz UMDUFSHOFIEHES-ZETCQYMHSA-N 0 3 341.311 1.487 20 5 EDBDHN COC[C@](C)(O)CCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449387956 320186856 /nfs/dbraw/zinc/18/68/56/320186856.db2.gz YRGLVKUUPCDNOR-OAHLLOKOSA-N 0 3 328.365 1.489 20 5 EDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449442183 320190816 /nfs/dbraw/zinc/19/08/16/320190816.db2.gz KAJZNYPOGBVIDZ-YPMHNXCESA-N 0 3 329.422 1.443 20 5 EDBDHN CCO[C@H]1C[C@@H](NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000459636482 320349004 /nfs/dbraw/zinc/34/90/04/320349004.db2.gz QVXQVDUIANDEAR-BETUJISGSA-N 0 3 338.360 1.804 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000471632018 320352734 /nfs/dbraw/zinc/35/27/34/320352734.db2.gz ALVNHCJCCLOGMW-ZDUSSCGKSA-N 0 3 338.408 1.842 20 5 EDBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC000298296770 443740136 /nfs/dbraw/zinc/74/01/36/443740136.db2.gz PSBKZDOSFBTSRY-CQSZACIVSA-N 0 3 329.360 1.804 20 5 EDBDHN O=c1[nH]c(N2CCN3CCCC[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000280940485 443779781 /nfs/dbraw/zinc/77/97/81/443779781.db2.gz IKTCOMGKHXXSRX-LBPRGKRZSA-N 0 3 329.360 1.918 20 5 EDBDHN COC(=O)[C@H](C)CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298759745 443861021 /nfs/dbraw/zinc/86/10/21/443861021.db2.gz ZLBCCHMDDBJASN-YPMHNXCESA-N 0 3 326.349 1.075 20 5 EDBDHN CN(C)C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCO1 ZINC000278322942 444140730 /nfs/dbraw/zinc/14/07/30/444140730.db2.gz HYVCBESOSDXOLC-VIFPVBQESA-N 0 3 334.298 1.775 20 5 EDBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000289462567 444150763 /nfs/dbraw/zinc/15/07/63/444150763.db2.gz GQXMKLCFIWDFBU-GFCCVEGCSA-N 0 3 329.422 1.743 20 5 EDBDHN COC(=O)c1cc(N2CCN(C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301590584 444180893 /nfs/dbraw/zinc/18/08/93/444180893.db2.gz XILXUGXQHVKMNC-ZDUSSCGKSA-N 0 3 349.387 1.540 20 5 EDBDHN CCN1CCC[C@@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000296459877 444231993 /nfs/dbraw/zinc/23/19/93/444231993.db2.gz JGBMLMRZVHMANE-LLVKDONJSA-N 0 3 328.394 1.138 20 5 EDBDHN CCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000312716613 444294886 /nfs/dbraw/zinc/29/48/86/444294886.db2.gz HZPDCZKLFSWVPQ-VIFPVBQESA-N 0 3 348.197 1.140 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@](C)(C(N)=O)C(C)C ZINC000297782671 444333885 /nfs/dbraw/zinc/33/38/85/444333885.db2.gz WHPHQEMAETXNFM-INIZCTEOSA-N 0 3 336.392 1.721 20 5 EDBDHN COCCN(CCN(C)C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000579665626 321957689 /nfs/dbraw/zinc/95/76/89/321957689.db2.gz BMVBTNGNKAOSMR-UHFFFAOYSA-N 0 3 337.420 1.909 20 5 EDBDHN CC(C)(C)NC(=O)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580947456 322115940 /nfs/dbraw/zinc/11/59/40/322115940.db2.gz SBAFVEBWSTYFJY-GFCCVEGCSA-N 0 3 339.392 1.229 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@H](O)C2)cc1 ZINC000581726573 322214225 /nfs/dbraw/zinc/21/42/25/322214225.db2.gz SXCQAGDXHCOYGL-OCCSQVGLSA-N 0 3 342.417 1.509 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342235319 444579815 /nfs/dbraw/zinc/57/98/15/444579815.db2.gz QJMYUFBAHQVKOZ-ZJUUUORDSA-N 0 3 330.287 1.890 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)N(C)C1 ZINC000343869812 444637667 /nfs/dbraw/zinc/63/76/67/444637667.db2.gz CEAGBTFMAURSKK-NWDGAFQWSA-N 0 3 347.375 1.399 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCC(=O)NC1(C)C ZINC000338593511 444762940 /nfs/dbraw/zinc/76/29/40/444762940.db2.gz TYMDDTLZYHDNPT-LBPRGKRZSA-N 0 3 334.376 1.489 20 5 EDBDHN C[C@H](N[C@@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338597360 444766773 /nfs/dbraw/zinc/76/67/73/444766773.db2.gz LKOGWXRRFNPDTD-GXFFZTMASA-N 0 3 334.376 1.569 20 5 EDBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCCC1 ZINC000339214600 445092720 /nfs/dbraw/zinc/09/27/20/445092720.db2.gz DNHAQEMUHJDRMR-ZDUSSCGKSA-N 0 3 348.403 1.315 20 5 EDBDHN Cc1c(CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000342073685 445157955 /nfs/dbraw/zinc/15/79/55/445157955.db2.gz JNLPYARWZJPEQP-LLVKDONJSA-N 0 3 348.403 1.118 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCN1C ZINC000343418184 445218786 /nfs/dbraw/zinc/21/87/86/445218786.db2.gz BJEUFJLACZFMCT-DOMZBBRYSA-N 0 3 343.387 1.993 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000347237566 445234698 /nfs/dbraw/zinc/23/46/98/445234698.db2.gz RMJCZVYHUOWTRO-UHFFFAOYSA-N 0 3 336.327 2.136 20 5 EDBDHN COc1ccc(NC(=O)CN[C@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000348149950 445289282 /nfs/dbraw/zinc/28/92/82/445289282.db2.gz XGCGHNMRDSRESC-NEPJUHHUSA-N 0 3 337.376 1.947 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@]1(CO)CCOC1 ZINC000359832668 445451542 /nfs/dbraw/zinc/45/15/42/445451542.db2.gz LVMAUSOTCYFMPQ-MRXNPFEDSA-N 0 3 337.376 1.315 20 5 EDBDHN CCN(CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000357764798 445581457 /nfs/dbraw/zinc/58/14/57/445581457.db2.gz RFHUKEYHDVTVAF-UHFFFAOYSA-N 0 3 348.403 1.983 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)n1 ZINC000360212318 445632117 /nfs/dbraw/zinc/63/21/17/445632117.db2.gz IYHOUUACXRAPRU-ZDUSSCGKSA-N 0 3 349.366 1.983 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(CCN(C)C)CC1 ZINC000360269377 445667809 /nfs/dbraw/zinc/66/78/09/445667809.db2.gz DKGRCHWIOORPOW-UHFFFAOYSA-N 0 3 334.420 1.613 20 5 EDBDHN CN1CCC[C@H](N2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)C1 ZINC000363218032 445726933 /nfs/dbraw/zinc/72/69/33/445726933.db2.gz DYXNDJWZBRBVFE-AWEZNQCLSA-N 0 3 347.419 1.029 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000353733614 445729874 /nfs/dbraw/zinc/72/98/74/445729874.db2.gz ANDUNLKUHITKQX-BXUZGUMPSA-N 0 3 338.360 1.804 20 5 EDBDHN CN(C(=O)CN1CC[C@H]2CCN(C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000373143816 446056213 /nfs/dbraw/zinc/05/62/13/446056213.db2.gz YDXIODFGMSFKOR-CZUORRHYSA-N 0 3 332.404 1.584 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC([C@H]2CCCOC2)CC1 ZINC000374848248 446417363 /nfs/dbraw/zinc/41/73/63/446417363.db2.gz VHJBFOYYLLTBIO-HNNXBMFYSA-N 0 3 335.404 1.895 20 5 EDBDHN Nc1nccc([C@@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000367214021 446523046 /nfs/dbraw/zinc/52/30/46/446523046.db2.gz QWZOGAZMUIYSFM-CJNGLKHVSA-N 0 3 343.387 1.880 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000375042314 446536829 /nfs/dbraw/zinc/53/68/29/446536829.db2.gz SBFHQVXFCAQIAP-DOMZBBRYSA-N 0 3 346.387 1.394 20 5 EDBDHN C[C@H]1CCNC[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420436194 446611799 /nfs/dbraw/zinc/61/17/99/446611799.db2.gz NZYVGVKILRKLJH-SMDDNHRTSA-N 0 3 327.406 1.055 20 5 EDBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1c([N+](=O)[O-])ncn1C ZINC000433774354 446597403 /nfs/dbraw/zinc/59/74/03/446597403.db2.gz KZUFWZVLANPZNU-KBPBESRZSA-N 0 3 330.392 1.853 20 5 EDBDHN CC(C)OC[C@H](CO)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411636376 446631431 /nfs/dbraw/zinc/63/14/31/446631431.db2.gz OSFHNKUXVZJOQC-HNNXBMFYSA-N 0 3 339.392 1.641 20 5 EDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000375187413 446631914 /nfs/dbraw/zinc/63/19/14/446631914.db2.gz NKHRAKNCYHYOGA-LBPRGKRZSA-N 0 3 339.417 1.890 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2NCCc3ccccc32)n1 ZINC000423667249 446633503 /nfs/dbraw/zinc/63/35/03/446633503.db2.gz JCKKKJMFPZEANC-ZDUSSCGKSA-N 0 3 329.360 1.428 20 5 EDBDHN O=C(NC[C@@H]1CNCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418775644 446694183 /nfs/dbraw/zinc/69/41/83/446694183.db2.gz WLLGIZMUZTWEGH-HNNXBMFYSA-N 0 3 334.376 1.257 20 5 EDBDHN Cc1ccc(NC(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000454146754 446791128 /nfs/dbraw/zinc/79/11/28/446791128.db2.gz MKODHPLKZZOGIE-CQSZACIVSA-N 0 3 336.392 1.872 20 5 EDBDHN Cc1nc([C@@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412027008 446792255 /nfs/dbraw/zinc/79/22/55/446792255.db2.gz LBNBKSALWULPKR-TZMCWYRMSA-N 0 3 347.375 1.251 20 5 EDBDHN Cc1n[nH]c([C@@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412027008 446792261 /nfs/dbraw/zinc/79/22/61/446792261.db2.gz LBNBKSALWULPKR-TZMCWYRMSA-N 0 3 347.375 1.251 20 5 EDBDHN Cc1nnc([C@@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412027008 446792267 /nfs/dbraw/zinc/79/22/67/446792267.db2.gz LBNBKSALWULPKR-TZMCWYRMSA-N 0 3 347.375 1.251 20 5 EDBDHN CNS(=O)(=O)c1ccc(NCC2(N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000418993675 446853453 /nfs/dbraw/zinc/85/34/53/446853453.db2.gz ATDXRZJLQFGJDH-UHFFFAOYSA-N 0 3 328.394 1.009 20 5 EDBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H](c4nc[nH]n4)C3)n2)cc1 ZINC000425546840 447223872 /nfs/dbraw/zinc/22/38/72/447223872.db2.gz LMRTXANYBJTPMK-LLVKDONJSA-N 0 3 341.331 1.752 20 5 EDBDHN CC(COC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[N+](=O)[O-] ZINC000495946661 447665664 /nfs/dbraw/zinc/66/56/64/447665664.db2.gz CZZUNUQZGWOAPI-GHMZBOCLSA-N 0 3 332.353 1.221 20 5 EDBDHN CC(COC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496720773 447855543 /nfs/dbraw/zinc/85/55/43/447855543.db2.gz XVUOPELEEHBOCT-JTQLQIEISA-N 0 3 332.353 1.221 20 5 EDBDHN CN1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000576012030 447951318 /nfs/dbraw/zinc/95/13/18/447951318.db2.gz OTJAXASKCWRIDP-ZDUSSCGKSA-N 0 3 349.435 1.999 20 5 EDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000531888582 448167406 /nfs/dbraw/zinc/16/74/06/448167406.db2.gz ABOXFDHBGFRRLH-HNNXBMFYSA-N 0 3 347.419 1.230 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492682540 448255490 /nfs/dbraw/zinc/25/54/90/448255490.db2.gz SZBDZGBIQZWSSZ-ZPIQOJFGSA-N 0 3 346.431 1.750 20 5 EDBDHN C[C@@H]1CCCC[C@@]1(C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000516290744 448409111 /nfs/dbraw/zinc/40/91/11/448409111.db2.gz UTWKUFGHTQAKHI-MFKMUULPSA-N 0 3 328.394 1.176 20 5 EDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000591686262 448451009 /nfs/dbraw/zinc/45/10/09/448451009.db2.gz ZPMPDHTVHKCOCI-IUCAKERBSA-N 0 3 346.156 1.787 20 5 EDBDHN CCOc1cc(N2CN(CCN(C)C)C(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000591986957 448612416 /nfs/dbraw/zinc/61/24/16/448612416.db2.gz ZVLAATYUVSIMEH-GFCCVEGCSA-N 0 3 336.392 1.550 20 5 EDBDHN CNc1nccc(C(=O)Nc2cccc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000567247438 448649690 /nfs/dbraw/zinc/64/96/90/448649690.db2.gz GVZBOOFTXJVJPD-UHFFFAOYSA-N 0 3 329.360 2.345 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592252011 448762867 /nfs/dbraw/zinc/76/28/67/448762867.db2.gz OXRPTUCBZLGYTG-NSHDSACASA-N 0 3 335.364 1.179 20 5 EDBDHN COC(=O)[C@H]1C[C@@H](O)CN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592196154 448734392 /nfs/dbraw/zinc/73/43/92/448734392.db2.gz AOGAUSOSTFCPMX-GXTWGEPZSA-N 0 3 338.360 1.220 20 5 EDBDHN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)NCCN(C)C ZINC000574651670 448925817 /nfs/dbraw/zinc/92/58/17/448925817.db2.gz SPUZBHKRFGXFAV-JTQLQIEISA-N 0 3 348.359 1.137 20 5 EDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588864069 448942771 /nfs/dbraw/zinc/94/27/71/448942771.db2.gz ZYSUEAJYXOVWFL-HOTGVXAUSA-N 0 3 333.388 1.195 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522383614 449079478 /nfs/dbraw/zinc/07/94/78/449079478.db2.gz GZWRJKBVXKWMEB-LLVKDONJSA-N 0 3 335.360 1.737 20 5 EDBDHN COC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595616232 449081874 /nfs/dbraw/zinc/08/18/74/449081874.db2.gz RNRXIRKRFAKITC-CQSZACIVSA-N 0 3 337.376 1.225 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000590444165 449165992 /nfs/dbraw/zinc/16/59/92/449165992.db2.gz LSLCEARHWJYNOX-XPTSAGLGSA-N 0 3 325.315 1.578 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)[C@H]2C1 ZINC000590446411 449166913 /nfs/dbraw/zinc/16/69/13/449166913.db2.gz VBSVAMOMWBBQDI-WBMJQRKESA-N 0 3 341.371 1.557 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000590588779 449203491 /nfs/dbraw/zinc/20/34/91/449203491.db2.gz JYPYHZXFUNKZAR-FZMZJTMJSA-N 0 3 327.406 1.616 20 5 EDBDHN COC(=O)[C@H]1C[C@@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595848305 449205232 /nfs/dbraw/zinc/20/52/32/449205232.db2.gz DKLSZSOVBGXNIH-KWCYVHTRSA-N 0 3 338.360 1.218 20 5 EDBDHN CC(C)N1CCN(C2CCN(c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000611166098 449195503 /nfs/dbraw/zinc/19/55/03/449195503.db2.gz BHPIIOQUOSCPTJ-UHFFFAOYSA-N 0 3 333.436 1.985 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H](CN)C(F)(F)F ZINC000595908707 449246762 /nfs/dbraw/zinc/24/67/62/449246762.db2.gz PHICMAFPDBVVHQ-NSHDSACASA-N 0 3 334.298 1.663 20 5 EDBDHN COC(=O)c1c(Cl)c(NC[C@@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000596196115 449408278 /nfs/dbraw/zinc/40/82/78/449408278.db2.gz IUIHOSNMLZESNN-AWEZNQCLSA-N 0 3 343.767 1.513 20 5 EDBDHN CNc1nccc(C(=O)NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600469733 449395885 /nfs/dbraw/zinc/39/58/85/449395885.db2.gz JRSFTOORFDALQI-LBPRGKRZSA-N 0 3 333.392 1.778 20 5 EDBDHN CCCN1CC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596518847 449539623 /nfs/dbraw/zinc/53/96/23/449539623.db2.gz XPYVBXWYDOUVTL-SNVBAGLBSA-N 0 3 328.394 1.138 20 5 EDBDHN CN1C2(CCC2)COC[C@]1(CO)CNCc1cccc([N+](=O)[O-])c1 ZINC000598990636 449684083 /nfs/dbraw/zinc/68/40/83/449684083.db2.gz OWJIIINQOZRSOY-QGZVFWFLSA-N 0 3 335.404 1.300 20 5 EDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000598991671 449684432 /nfs/dbraw/zinc/68/44/32/449684432.db2.gz REPRIMGBSRPFAG-ZDUSSCGKSA-N 0 3 339.359 1.401 20 5 EDBDHN CC(C)(C)[N@@H+]1CC[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000594787588 449696247 /nfs/dbraw/zinc/69/62/47/449696247.db2.gz ANSKIGJRWNDTKH-NSHDSACASA-N 0 3 342.421 1.389 20 5 EDBDHN CC(C)(C)[N@H+]1CC[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000594787588 449696254 /nfs/dbraw/zinc/69/62/54/449696254.db2.gz ANSKIGJRWNDTKH-NSHDSACASA-N 0 3 342.421 1.389 20 5 EDBDHN CN1CCN(CC2CN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000599104388 449735053 /nfs/dbraw/zinc/73/50/53/449735053.db2.gz FKUCLNUNDYGVCS-UHFFFAOYSA-N 0 3 341.415 1.827 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H](O)COCc1ccccc1 ZINC000602784871 449806572 /nfs/dbraw/zinc/80/65/72/449806572.db2.gz KBTMLLHFAYCKQA-MRXNPFEDSA-N 0 3 348.403 1.609 20 5 EDBDHN Cc1ccc([C@H](C)NS(=O)(=O)CCCN(C)C)cc1[N+](=O)[O-] ZINC000601363890 449877221 /nfs/dbraw/zinc/87/72/21/449877221.db2.gz ADONGWLNKNULFA-LBPRGKRZSA-N 0 3 329.422 1.835 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601369464 449883737 /nfs/dbraw/zinc/88/37/37/449883737.db2.gz NREUVSYJORBAFF-WPRPVWTQSA-N 0 3 333.435 1.535 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCCCN(C)C1 ZINC000599412157 449957732 /nfs/dbraw/zinc/95/77/32/449957732.db2.gz GILPKGDLGKMDHZ-ZDUSSCGKSA-N 0 3 341.433 1.913 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609143681 449967758 /nfs/dbraw/zinc/96/77/58/449967758.db2.gz JABFQRYRTNQWIB-UHFFFAOYSA-N 0 3 326.422 1.647 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCN(c3ccncc3)CC2)n1 ZINC000603083297 450056172 /nfs/dbraw/zinc/05/61/72/450056172.db2.gz JQBXUKZIIKGZJY-UHFFFAOYSA-N 0 3 330.348 1.076 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601538525 450059621 /nfs/dbraw/zinc/05/96/21/450059621.db2.gz IQMHFYGGHKZGQK-OAHLLOKOSA-N 0 3 325.340 1.263 20 5 EDBDHN C[C@@H]1CN(CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000595374606 450088476 /nfs/dbraw/zinc/08/84/76/450088476.db2.gz HPTRFVZWKNEWCQ-KFWWJZLASA-N 0 3 349.435 1.585 20 5 EDBDHN COc1ccc(NC(=O)CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000599627255 450113568 /nfs/dbraw/zinc/11/35/68/450113568.db2.gz WBVQZDPXKFOJRU-BBKSZCTCSA-N 0 3 337.376 1.943 20 5 EDBDHN Cc1[nH]nc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000610764800 450327571 /nfs/dbraw/zinc/32/75/71/450327571.db2.gz TYSWFSYSMPSABL-NSHDSACASA-N 0 3 345.359 1.596 20 5 EDBDHN Cc1n[nH]c(C(=O)N(CCc2ccccc2)CCN(C)C)c1[N+](=O)[O-] ZINC000729322349 578563664 /nfs/dbraw/zinc/56/36/64/578563664.db2.gz XIUNIEBAGZEEQP-UHFFFAOYSA-N 0 3 345.403 1.873 20 5 EDBDHN Cc1[nH]nc(C(=O)N(CCc2ccccc2)CCN(C)C)c1[N+](=O)[O-] ZINC000729322349 578563665 /nfs/dbraw/zinc/56/36/65/578563665.db2.gz XIUNIEBAGZEEQP-UHFFFAOYSA-N 0 3 345.403 1.873 20 5 EDBDHN COc1cc(OCC(=O)N[C@H](CN(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000733168052 578745651 /nfs/dbraw/zinc/74/56/51/578745651.db2.gz QSLVUARRTRLCOK-CYBMUJFWSA-N 0 3 339.392 1.685 20 5 EDBDHN C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736859884 579027836 /nfs/dbraw/zinc/02/78/36/579027836.db2.gz JJZBTZLSHFYRCD-OLZOCXBDSA-N 0 3 343.391 1.838 20 5 EDBDHN C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736859884 579027837 /nfs/dbraw/zinc/02/78/37/579027837.db2.gz JJZBTZLSHFYRCD-OLZOCXBDSA-N 0 3 343.391 1.838 20 5 EDBDHN C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736859884 579027838 /nfs/dbraw/zinc/02/78/38/579027838.db2.gz JJZBTZLSHFYRCD-OLZOCXBDSA-N 0 3 343.391 1.838 20 5 EDBDHN C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736859884 579027839 /nfs/dbraw/zinc/02/78/39/579027839.db2.gz JJZBTZLSHFYRCD-OLZOCXBDSA-N 0 3 343.391 1.838 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000753430983 579879851 /nfs/dbraw/zinc/87/98/51/579879851.db2.gz AICIGQZYQFBCCY-UHFFFAOYSA-N 0 3 340.336 1.119 20 5 EDBDHN COC(=O)N1CC(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000773081481 580326600 /nfs/dbraw/zinc/32/66/00/580326600.db2.gz RWJUWPSDFOTQKY-UHFFFAOYSA-N 0 3 334.376 1.604 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000776591592 580423056 /nfs/dbraw/zinc/42/30/56/580423056.db2.gz KRULYUVTOBAGQI-WMLDXEAASA-N 0 3 335.404 1.282 20 5 EDBDHN Cc1nn(CN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000779868608 580500299 /nfs/dbraw/zinc/50/02/99/580500299.db2.gz ZMFQHMDBFBPYAY-UKRRQHHQSA-N 0 3 336.440 1.015 20 5 EDBDHN CN1CCC(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000781565817 580552574 /nfs/dbraw/zinc/55/25/74/580552574.db2.gz FIIXMVDYDRQRRM-UHFFFAOYSA-N 0 3 336.348 1.646 20 5 EDBDHN O=C(CCN1CCC2(CNC(=O)O2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000781995512 580562934 /nfs/dbraw/zinc/56/29/34/580562934.db2.gz WBDOWZSGCDGRJU-UHFFFAOYSA-N 0 3 348.359 1.498 20 5 EDBDHN C[C@]12CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1C2(Cl)Cl ZINC000792910743 580830688 /nfs/dbraw/zinc/83/06/88/580830688.db2.gz WBWNHWFSIMTIJE-TUAOUCFPSA-N 0 3 349.218 1.668 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000892199877 590861169 /nfs/dbraw/zinc/86/11/69/590861169.db2.gz BMHVRYXICKYQNL-AWEZNQCLSA-N 0 3 336.392 1.839 20 5 EDBDHN C[C@@H](NC(=O)C1CN(C2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000895782937 591274324 /nfs/dbraw/zinc/27/43/24/591274324.db2.gz NJULEXOCEJIYLY-GFCCVEGCSA-N 0 3 333.388 1.883 20 5 EDBDHN O=[N+]([O-])c1c(NC[C@H]2CCN2C2CCOCC2)nc2ccccn21 ZINC000896517382 591488519 /nfs/dbraw/zinc/48/85/19/591488519.db2.gz XNGCGSHCYZFTBY-CYBMUJFWSA-N 0 3 331.376 1.908 20 5 EDBDHN CN(CCO)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000899737421 591926774 /nfs/dbraw/zinc/92/67/74/591926774.db2.gz JDMIUPWGGXRMPT-UHFFFAOYSA-N 0 3 327.356 1.052 20 5 EDBDHN CN1CCC[C@@](O)(CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000901218409 592292376 /nfs/dbraw/zinc/29/23/76/592292376.db2.gz MCXSBXNJCGAHMB-QGZVFWFLSA-N 0 3 333.388 1.326 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CCN1C ZINC000906797343 592348094 /nfs/dbraw/zinc/34/80/94/592348094.db2.gz HIOMTSWYLOFSBF-RYUDHWBXSA-N 0 3 349.387 1.969 20 5 EDBDHN CCN1C[C@H](C)[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906955764 592434761 /nfs/dbraw/zinc/43/47/61/592434761.db2.gz IYBPSUAFVVAWQT-WCQYABFASA-N 0 3 349.387 1.826 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000908346728 592455219 /nfs/dbraw/zinc/45/52/19/592455219.db2.gz HTYUNCMBMSSOML-AAEUAGOBSA-N 0 3 347.371 1.532 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000907547182 592702444 /nfs/dbraw/zinc/70/24/44/592702444.db2.gz BJMXTWPAJQGERY-DOMZBBRYSA-N 0 3 339.417 1.475 20 5 EDBDHN CCN1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910294418 592832817 /nfs/dbraw/zinc/83/28/17/592832817.db2.gz FXDWPXZRTHMTSF-GFCCVEGCSA-N 0 3 349.387 1.938 20 5 EDBDHN O=[N+]([O-])c1c(NC2CCN([C@@H]3CCOC3)CC2)nc2sccn21 ZINC000301724404 593055037 /nfs/dbraw/zinc/05/50/37/593055037.db2.gz OVNBKZBENDBPAF-LLVKDONJSA-N 0 3 337.405 1.969 20 5 EDBDHN CC(COC(=O)c1c(Br)nc2n1CCCC2)[N+](=O)[O-] ZINC000838964407 593243891 /nfs/dbraw/zinc/24/38/91/593243891.db2.gz JBXQTDGIXOJOIR-SSDOTTSWSA-N 0 3 332.154 1.804 20 5 EDBDHN CCOc1ccccc1N1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813103124 593517412 /nfs/dbraw/zinc/51/74/12/593517412.db2.gz OEYIFLVGFXQXHR-NWDGAFQWSA-N 0 3 336.344 1.647 20 5 EDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(Cl)c1OCC(N)=O ZINC000813105958 593517878 /nfs/dbraw/zinc/51/78/78/593517878.db2.gz WMVPSDQKNVUXSL-SSDOTTSWSA-N 0 3 346.723 1.035 20 5 EDBDHN CC(=O)N[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(F)cc1F ZINC000813109187 593517995 /nfs/dbraw/zinc/51/79/95/593517995.db2.gz PCTVBBAAFDOSRK-OQPBUACISA-N 0 3 330.287 1.741 20 5 EDBDHN C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821624967 593885517 /nfs/dbraw/zinc/88/55/17/593885517.db2.gz BLWNUXMRVXPZKM-GXFFZTMASA-N 0 3 344.379 1.090 20 5 EDBDHN C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821624967 593885519 /nfs/dbraw/zinc/88/55/19/593885519.db2.gz BLWNUXMRVXPZKM-GXFFZTMASA-N 0 3 344.379 1.090 20 5 EDBDHN C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821624967 593885521 /nfs/dbraw/zinc/88/55/21/593885521.db2.gz BLWNUXMRVXPZKM-GXFFZTMASA-N 0 3 344.379 1.090 20 5 EDBDHN C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821624967 593885523 /nfs/dbraw/zinc/88/55/23/593885523.db2.gz BLWNUXMRVXPZKM-GXFFZTMASA-N 0 3 344.379 1.090 20 5 EDBDHN C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000825466926 594189648 /nfs/dbraw/zinc/18/96/48/594189648.db2.gz KGPMCCFFIRMPRE-BBRMVZONSA-N 0 3 335.404 1.865 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826677884 594553286 /nfs/dbraw/zinc/55/32/86/594553286.db2.gz RKTTXYZWVQTWQO-JTQLQIEISA-N 0 3 337.336 1.059 20 5 EDBDHN CC(C)(CCC(=O)N1CC[C@@H](OCCN2CCCCC2)C1)[N+](=O)[O-] ZINC000826902861 594598928 /nfs/dbraw/zinc/59/89/28/594598928.db2.gz MEIFANLORZESKV-OAHLLOKOSA-N 0 3 341.452 1.925 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000829352502 594601228 /nfs/dbraw/zinc/60/12/28/594601228.db2.gz OTDTWGYZTKYXBD-AWEZNQCLSA-N 0 3 332.404 1.694 20 5 EDBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841177892 594864075 /nfs/dbraw/zinc/86/40/75/594864075.db2.gz MATPBSYOKWQPOU-VIFPVBQESA-N 0 3 342.783 1.676 20 5 EDBDHN COc1cc(OS(=O)(=O)CCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000867211581 595031892 /nfs/dbraw/zinc/03/18/92/595031892.db2.gz PYOIVGUTXSCWDW-UHFFFAOYSA-N 0 3 344.389 1.798 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000834564428 595163845 /nfs/dbraw/zinc/16/38/45/595163845.db2.gz KDWRKJBHAMBNNO-HNNXBMFYSA-N 0 3 341.795 1.777 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000844040481 595254626 /nfs/dbraw/zinc/25/46/26/595254626.db2.gz NFMQEAKRDRMKAL-PPGNKHEKSA-N 0 3 346.387 1.186 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000843064060 595278525 /nfs/dbraw/zinc/27/85/25/595278525.db2.gz FTELMSKPCZAUHQ-WBVHZDCISA-N 0 3 346.387 1.484 20 5 EDBDHN Cc1cccc(OC[C@@H](O)CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843068442 595279874 /nfs/dbraw/zinc/27/98/74/595279874.db2.gz JSAINKXEHXEBJH-WMZOPIPTSA-N 0 3 346.383 1.966 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H](O)c1ccsc1 ZINC000843083386 595282914 /nfs/dbraw/zinc/28/29/14/595282914.db2.gz HLLCDNZWHFVATF-JSGCOSHPSA-N 0 3 338.385 1.719 20 5 EDBDHN Cc1ccc([C@H](O)CNC[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000843088805 595284603 /nfs/dbraw/zinc/28/46/03/595284603.db2.gz QBQSGRDEBVVHBB-GXTWGEPZSA-N 0 3 336.344 1.559 20 5 EDBDHN CN1CCC(ONC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846651749 595293646 /nfs/dbraw/zinc/29/36/46/595293646.db2.gz VAEAVRSOHKWLBN-UHFFFAOYSA-N 0 3 335.360 1.700 20 5 EDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccn(CCN(C)C)n1)CC2 ZINC000847658331 595464588 /nfs/dbraw/zinc/46/45/88/595464588.db2.gz YTDORESXEHIIFL-UHFFFAOYSA-N 0 3 343.387 1.864 20 5 EDBDHN CC([C@@H](OC(=O)CCc1cn(C)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000851108317 595730040 /nfs/dbraw/zinc/73/00/40/595730040.db2.gz LPELHDSAIYSSPM-ZUZCIYMTSA-N 0 3 336.323 1.837 20 5 EDBDHN CC(C)N1CCO[C@@H](C(=N)NOCc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000853686177 595855446 /nfs/dbraw/zinc/85/54/46/595855446.db2.gz VTIKOAJHJBLBAJ-CQSZACIVSA-N 0 3 340.355 1.842 20 5 EDBDHN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861712805 596077306 /nfs/dbraw/zinc/07/73/06/596077306.db2.gz UMIWDJOAXKFTRT-VXGBXAGGSA-N 0 3 339.779 1.529 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)N2CCNCCC2(C)C)c1[N+](=O)[O-] ZINC000866803681 596355436 /nfs/dbraw/zinc/35/54/36/596355436.db2.gz YBHGBYLMJDRYIZ-UHFFFAOYSA-N 0 3 341.433 1.974 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000865242667 596521118 /nfs/dbraw/zinc/52/11/18/596521118.db2.gz BTKJGLSDWBODKG-LBPRGKRZSA-N 0 3 338.433 1.726 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(NC[C@@H](O)CN2CCCCC2)cc1F ZINC000865443196 596576758 /nfs/dbraw/zinc/57/67/58/596576758.db2.gz YXTVFYKVGQGEPM-GFCCVEGCSA-N 0 3 327.356 1.485 20 5 EDBDHN CCN(CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000863503615 596602881 /nfs/dbraw/zinc/60/28/81/596602881.db2.gz NRGWZNQBHRIPEZ-KRWDZBQOSA-N 0 3 346.387 1.846 20 5 EDBDHN C[C@@H](CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)N(C)C1CC1 ZINC000863504124 596603732 /nfs/dbraw/zinc/60/37/32/596603732.db2.gz ZLOVJQYOBSHYEV-GTNSWQLSSA-N 0 3 346.387 1.845 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000869780504 596632636 /nfs/dbraw/zinc/63/26/36/596632636.db2.gz WMNOJRJGUJHFQO-JTQLQIEISA-N 0 3 341.795 1.823 20 5 EDBDHN CC1(C)CCNCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000872290932 596869725 /nfs/dbraw/zinc/86/97/25/596869725.db2.gz JNFCZYWSLUPQKE-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000874840951 597194766 /nfs/dbraw/zinc/19/47/66/597194766.db2.gz SFHAVYPIWKKLJZ-UONOGXRCSA-N 0 3 347.371 1.481 20 5 EDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCNCCC23CCC3)c1 ZINC000883479478 597768436 /nfs/dbraw/zinc/76/84/36/597768436.db2.gz ZVCMUGWRAKZOKO-UHFFFAOYSA-N 0 3 325.390 1.502 20 5 EDBDHN COC(=O)C(C)(C)CN(Cc1cn(C)nc1[N+](=O)[O-])CC(C)C ZINC000880384213 597919627 /nfs/dbraw/zinc/91/96/27/597919627.db2.gz SEMOCWMJCXXOOD-UHFFFAOYSA-N 0 3 326.397 1.986 20 5 EDBDHN Cc1nn(CCC(=O)N(C)CC2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000103450893 219301264 /nfs/dbraw/zinc/30/12/64/219301264.db2.gz UHABWICCSTWYTC-UHFFFAOYSA-N 0 3 337.424 1.598 20 5 EDBDHN O=C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1 ZINC000104679064 138300105 /nfs/dbraw/zinc/30/01/05/138300105.db2.gz AKFDNXIFVBOBNE-UHFFFAOYSA-N 0 3 330.344 1.614 20 5 EDBDHN C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H](c1ccccc1)N(C)C ZINC000187213993 236148209 /nfs/dbraw/zinc/14/82/09/236148209.db2.gz FWBYKUVIMJDHMX-MLGOLLRUSA-N 0 3 331.376 1.599 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](CN2CCOCC2)C1 ZINC000129307671 223042875 /nfs/dbraw/zinc/04/28/75/223042875.db2.gz PQFGVVODLOPKMH-HNNXBMFYSA-N 0 3 335.404 1.628 20 5 EDBDHN Cc1c(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cccc1[N+](=O)[O-] ZINC000072795003 216307049 /nfs/dbraw/zinc/30/70/49/216307049.db2.gz FVTRJHGIJMUDPR-LBPRGKRZSA-N 0 3 334.376 1.252 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2N(C)C)c1 ZINC000414464803 304116894 /nfs/dbraw/zinc/11/68/94/304116894.db2.gz OPRNNRQJPAEBJN-STQMWFEESA-N 0 3 341.433 1.973 20 5 EDBDHN CSCc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000568859487 306490690 /nfs/dbraw/zinc/49/06/90/306490690.db2.gz MPCWYYNGZOXUNJ-OAHLLOKOSA-N 0 3 336.417 1.805 20 5 EDBDHN COc1ccccc1[C@@H]1CNCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000262292338 139267278 /nfs/dbraw/zinc/26/72/78/139267278.db2.gz WFKHJJAXHFDRAW-HNNXBMFYSA-N 0 3 331.376 1.446 20 5 EDBDHN Cc1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc([N+](=O)[O-])c1 ZINC000424224611 252170103 /nfs/dbraw/zinc/17/01/03/252170103.db2.gz KMSATXVBOGYVLF-LSDHHAIUSA-N 0 3 329.360 1.204 20 5 EDBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CNCCC1(F)F ZINC000493042407 255189155 /nfs/dbraw/zinc/18/91/55/255189155.db2.gz BXJKKJPUYQNYSM-DTRQGZQOSA-N 0 3 329.278 1.861 20 5 EDBDHN Cc1cccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000116922551 221011812 /nfs/dbraw/zinc/01/18/12/221011812.db2.gz FJPBFUXGZQEGMS-UHFFFAOYSA-N 0 3 349.412 1.971 20 5 EDBDHN CCN(CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000118121686 221123887 /nfs/dbraw/zinc/12/38/87/221123887.db2.gz XZFURQQQPFFPPB-UHFFFAOYSA-N 0 3 334.376 1.442 20 5 EDBDHN CN(C)CCOc1cccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000119123104 221249153 /nfs/dbraw/zinc/24/91/53/221249153.db2.gz ZJIZXLZSIRJIFM-UHFFFAOYSA-N 0 3 347.375 1.199 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@H](O)CN1CCOCC1 ZINC000347363539 533380204 /nfs/dbraw/zinc/38/02/04/533380204.db2.gz RSFCRXXWOMRDCS-BXBOZWQASA-N 0 3 349.431 1.623 20 5 EDBDHN C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000265456401 139478611 /nfs/dbraw/zinc/47/86/11/139478611.db2.gz FLEVSECIZJUXDT-UHFFFAOYSA-N 0 3 346.343 1.888 20 5 EDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1N1CCCC1 ZINC000331559420 141048126 /nfs/dbraw/zinc/04/81/26/141048126.db2.gz KECAJPMHUVIKLL-OLZOCXBDSA-N 0 3 338.433 1.585 20 5 EDBDHN CC(C)N1CCN(CCCN2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000332521594 141195526 /nfs/dbraw/zinc/19/55/26/141195526.db2.gz ZKDYXNCXMMTTMV-UHFFFAOYSA-N 0 3 347.463 1.764 20 5 EDBDHN COC(=O)CC1(NCc2ccc([N+](=O)[O-])c(OC)c2)CCOCC1 ZINC000352784902 149163777 /nfs/dbraw/zinc/16/37/77/149163777.db2.gz SHTSHMCNADSBKB-UHFFFAOYSA-N 0 3 338.360 1.805 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000353211793 149326647 /nfs/dbraw/zinc/32/66/47/149326647.db2.gz VFFPDHQTEBNCQC-OCCSQVGLSA-N 0 3 338.360 1.540 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000357407951 151022708 /nfs/dbraw/zinc/02/27/08/151022708.db2.gz FYKBVDWRPQMPMB-MFKMUULPSA-N 0 3 335.360 1.594 20 5 EDBDHN CN(C)CCN(Cc1ccccn1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357439881 151033292 /nfs/dbraw/zinc/03/32/92/151033292.db2.gz JTJRAZPDRQQHKK-UHFFFAOYSA-N 0 3 344.375 1.052 20 5 EDBDHN CSC1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCN(C)CC1 ZINC000357542898 151061813 /nfs/dbraw/zinc/06/18/13/151061813.db2.gz CAMQSXPLZJXIJO-UHFFFAOYSA-N 0 3 339.421 1.328 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)[C@H](O)C1 ZINC000357572088 151071046 /nfs/dbraw/zinc/07/10/46/151071046.db2.gz PZOFJJVSWBJXJA-BXUZGUMPSA-N 0 3 337.376 1.635 20 5 EDBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCN1C ZINC000361083733 152297639 /nfs/dbraw/zinc/29/76/39/152297639.db2.gz QILXOVAMTLDELU-NXEZZACHSA-N 0 3 328.394 1.137 20 5 EDBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCCN(C2CCOCC2)CC1 ZINC000363239220 152932674 /nfs/dbraw/zinc/93/26/74/152932674.db2.gz RSTLXDBVTKEAJE-UHFFFAOYSA-N 0 3 339.417 1.983 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363688487 153030270 /nfs/dbraw/zinc/03/02/70/153030270.db2.gz DNUXLHHXURLNGR-RYUDHWBXSA-N 0 3 339.779 1.841 20 5 EDBDHN O=C(COc1ccccc1[N+](=O)[O-])NC1CCN([C@@H]2CCOC2)CC1 ZINC000363708031 153035167 /nfs/dbraw/zinc/03/51/67/153035167.db2.gz INKBTKXLZWRYLD-CQSZACIVSA-N 0 3 349.387 1.343 20 5 EDBDHN CCCN1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000364116202 153149057 /nfs/dbraw/zinc/14/90/57/153149057.db2.gz XGCRVAQOETYVPO-UHFFFAOYSA-N 0 3 337.424 1.743 20 5 EDBDHN CN(Cc1ccccc1)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370215657 155381387 /nfs/dbraw/zinc/38/13/87/155381387.db2.gz NDVDFSLPOQBHCA-INIZCTEOSA-N 0 3 329.404 1.998 20 5 EDBDHN CN(C)CCN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000373970712 157087925 /nfs/dbraw/zinc/08/79/25/157087925.db2.gz SYDWHTCGIVYYAF-UHFFFAOYSA-N 0 3 334.420 1.233 20 5 EDBDHN Cc1cc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cc([N+](=O)[O-])c1 ZINC000374227789 157203806 /nfs/dbraw/zinc/20/38/06/157203806.db2.gz CUDIVBHZNCUSCS-INIZCTEOSA-N 0 3 346.431 1.755 20 5 EDBDHN Cc1nc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000378131873 158087622 /nfs/dbraw/zinc/08/76/22/158087622.db2.gz GTZFVSOUPXKYQH-HNNXBMFYSA-N 0 3 333.436 1.903 20 5 EDBDHN O=[N+]([O-])c1ccc(NC2CCN([C@H]3CCOC3)CC2)c2nonc21 ZINC000378293028 158130685 /nfs/dbraw/zinc/13/06/85/158130685.db2.gz MJSYXLMHPXPCBB-NSHDSACASA-N 0 3 333.348 1.796 20 5 EDBDHN COc1cc(CN2CC[C@@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352546588 162243479 /nfs/dbraw/zinc/24/34/79/162243479.db2.gz XMHTYZJJFGQXBF-HNNXBMFYSA-N 0 3 335.404 1.758 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000124178516 287395410 /nfs/dbraw/zinc/39/54/10/287395410.db2.gz ABPLNPKPCNTFBJ-UHFFFAOYSA-N 0 3 334.376 1.396 20 5 EDBDHN C[C@H]1CCCCN1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273483005 268049493 /nfs/dbraw/zinc/04/94/93/268049493.db2.gz NAWCSXIJLUHSNB-NSHDSACASA-N 0 3 342.421 1.529 20 5 EDBDHN CO[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000275244414 273109700 /nfs/dbraw/zinc/10/97/00/273109700.db2.gz PAXXVTWNQYBPJB-LSDHHAIUSA-N 0 3 342.417 1.916 20 5 EDBDHN O=C(CN[C@@H]1CCC[C@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279238207 273287141 /nfs/dbraw/zinc/28/71/41/273287141.db2.gz JTQLMFZYHXRQMW-SWLSCSKDSA-N 0 3 333.388 1.625 20 5 EDBDHN CNC(=O)[C@@]1(C)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000280716081 273389421 /nfs/dbraw/zinc/38/94/21/273389421.db2.gz HTDPZTUFQLMQRG-INIZCTEOSA-N 0 3 337.376 1.440 20 5 EDBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000422789911 275749584 /nfs/dbraw/zinc/74/95/84/275749584.db2.gz BRQBTDAHRJVEJX-CYBMUJFWSA-N 0 3 331.376 1.882 20 5 EDBDHN CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000370917305 276877295 /nfs/dbraw/zinc/87/72/95/276877295.db2.gz MIVXCROJAZNBGM-RDJZCZTQSA-N 0 3 343.387 1.525 20 5 EDBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000262010592 278360842 /nfs/dbraw/zinc/36/08/42/278360842.db2.gz WIIOHSMYVZQWAF-ZJUUUORDSA-N 0 3 347.824 1.915 20 5 EDBDHN COCCCN(C)CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000287294557 288202646 /nfs/dbraw/zinc/20/26/46/288202646.db2.gz MKCUUUZZZKMTRD-UHFFFAOYSA-N 0 3 340.380 1.465 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287387496 288226511 /nfs/dbraw/zinc/22/65/11/288226511.db2.gz INRUBMODZXAGCX-JSGCOSHPSA-N 0 3 343.387 1.958 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292052377 289249729 /nfs/dbraw/zinc/24/97/29/289249729.db2.gz NSVWJSCOBSYKPC-OAHLLOKOSA-N 0 3 339.417 1.620 20 5 EDBDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292404266 289338025 /nfs/dbraw/zinc/33/80/25/289338025.db2.gz LMGAAUJEOLUHSC-QLFBSQMISA-N 0 3 342.417 1.574 20 5 EDBDHN NCc1cn([C@@H]2CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)nn1 ZINC000420281813 304743079 /nfs/dbraw/zinc/74/30/79/304743079.db2.gz MNIJCYMAEGOWTL-GFCCVEGCSA-N 0 3 343.391 1.455 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293808840 303022310 /nfs/dbraw/zinc/02/23/10/303022310.db2.gz FATDBMYWGXAJFH-JKSUJKDBSA-N 0 3 333.388 1.838 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C ZINC000295347153 303207768 /nfs/dbraw/zinc/20/77/68/303207768.db2.gz NWADJKXSMMUWDZ-YHWZYXNKSA-N 0 3 339.417 1.807 20 5 EDBDHN CN(C)[C@@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000301147265 303663119 /nfs/dbraw/zinc/66/31/19/303663119.db2.gz HGLGNUWOBKFKOH-CYBMUJFWSA-N 0 3 343.387 1.700 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342956730 303800950 /nfs/dbraw/zinc/80/09/50/303800950.db2.gz RQIMMJPSCMIRCH-LBPRGKRZSA-N 0 3 346.387 1.653 20 5 EDBDHN CC(C)N(CCn1cc([N+](=O)[O-])cn1)C[C@H](O)COc1ccccc1 ZINC000444803842 305253366 /nfs/dbraw/zinc/25/33/66/305253366.db2.gz GPSMUQNONAXHOA-INIZCTEOSA-N 0 3 348.403 1.942 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCC1 ZINC000445740692 305259931 /nfs/dbraw/zinc/25/99/31/305259931.db2.gz JYVJSXDRASXPEE-UHFFFAOYSA-N 0 3 341.433 1.920 20 5 EDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCN1CCCS1(=O)=O ZINC000449134271 305307374 /nfs/dbraw/zinc/30/73/74/305307374.db2.gz HYLUMFUZTZFRMA-LBPRGKRZSA-N 0 3 327.406 1.151 20 5 EDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000449153485 305308073 /nfs/dbraw/zinc/30/80/73/305308073.db2.gz DMXBUUUHJPFFRN-DOMZBBRYSA-N 0 3 343.387 1.654 20 5 EDBDHN CCO[C@@H]1COC[C@H]1N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449716433 305317934 /nfs/dbraw/zinc/31/79/34/305317934.db2.gz CRMNSJHCTKSYTQ-KCPJHIHWSA-N 0 3 337.376 1.705 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451294641 305336970 /nfs/dbraw/zinc/33/69/70/305336970.db2.gz CMCPWZNBILFMBU-SQWLQELKSA-N 0 3 336.388 1.835 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451305704 305337885 /nfs/dbraw/zinc/33/78/85/305337885.db2.gz QTRFNJNEZIQPQE-BMFZPTHFSA-N 0 3 336.388 1.965 20 5 EDBDHN NC(=O)c1ccc(CN[C@@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000451612445 305356295 /nfs/dbraw/zinc/35/62/95/305356295.db2.gz QDMYWBOWAAFSFQ-GOEBONIOSA-N 0 3 333.388 1.580 20 5 EDBDHN CCN(CC)S(=O)(=O)c1ccc(NCCN(C)C)c([N+](=O)[O-])c1 ZINC000008147749 441084325 /nfs/dbraw/zinc/08/43/25/441084325.db2.gz MSTYNHUMQYGIEC-UHFFFAOYSA-N 0 3 344.437 1.599 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000104748248 441204191 /nfs/dbraw/zinc/20/41/91/441204191.db2.gz GXAAMUOJSLWDCW-NSHDSACASA-N 0 3 343.405 1.176 20 5 EDBDHN COC(=O)CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000063513291 441334931 /nfs/dbraw/zinc/33/49/31/441334931.db2.gz OQJFEFCBMJMNKI-UHFFFAOYSA-N 0 3 337.376 1.715 20 5 EDBDHN COC(=O)c1cc(C(=O)NC[C@H](C)N2CCCC2)cc([N+](=O)[O-])c1 ZINC000063733254 441348470 /nfs/dbraw/zinc/34/84/70/441348470.db2.gz NNVQMKGBQYMXLV-NSHDSACASA-N 0 3 335.360 1.596 20 5 EDBDHN CCN1CCN([C@@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000107370361 441414716 /nfs/dbraw/zinc/41/47/16/441414716.db2.gz GIPOMCLHVWZTFM-CQSZACIVSA-N 0 3 336.411 1.946 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC[C@H](C)N2CCCC2)cc([N+](=O)[O-])c1 ZINC000052641264 441466865 /nfs/dbraw/zinc/46/68/65/441466865.db2.gz YGSCGKSCJQFIRV-LBPRGKRZSA-N 0 3 349.387 1.986 20 5 EDBDHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032435810 441556726 /nfs/dbraw/zinc/55/67/26/441556726.db2.gz GXYVJIKYMSMXSK-NSHDSACASA-N 0 3 345.421 1.612 20 5 EDBDHN CC1CCN(C[C@H](O)CNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000067373281 441633519 /nfs/dbraw/zinc/63/35/19/441633519.db2.gz UMXKMXNSGCSXNO-LLVKDONJSA-N 0 3 339.421 1.809 20 5 EDBDHN CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C ZINC000041321439 441644358 /nfs/dbraw/zinc/64/43/58/441644358.db2.gz JCWCIASMRPSHKD-AWEZNQCLSA-N 0 3 336.392 1.626 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067571534 441654114 /nfs/dbraw/zinc/65/41/14/441654114.db2.gz VYKRQOLMOFLGNL-OAHLLOKOSA-N 0 3 343.387 1.995 20 5 EDBDHN CCS(=O)(=O)N(C)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173320528 441712866 /nfs/dbraw/zinc/71/28/66/441712866.db2.gz KVTKYDMHMIPTEW-GFCCVEGCSA-N 0 3 329.422 1.917 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCN(C)C2CC2)cc1OC ZINC000067701301 441668874 /nfs/dbraw/zinc/66/88/74/441668874.db2.gz ZQSZQRKRQNBHNJ-UHFFFAOYSA-N 0 3 337.376 1.826 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160236664 441868206 /nfs/dbraw/zinc/86/82/06/441868206.db2.gz RIKRWINFCCSTRL-GFCCVEGCSA-N 0 3 325.340 1.311 20 5 EDBDHN C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000175100701 442005021 /nfs/dbraw/zinc/00/50/21/442005021.db2.gz MISRNFOVFJBPPN-TZMCWYRMSA-N 0 3 348.403 1.266 20 5 EDBDHN CCC(CC)(CNCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)OC ZINC000120733742 442124606 /nfs/dbraw/zinc/12/46/06/442124606.db2.gz CEOHTIFOFRZLOI-UHFFFAOYSA-N 0 3 337.376 1.763 20 5 EDBDHN C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CN1CCCC1 ZINC000151947486 442144974 /nfs/dbraw/zinc/14/49/74/442144974.db2.gz VPJHCFWMZJVYJM-ZDUSSCGKSA-N 0 3 341.433 1.746 20 5 EDBDHN COC[C@](C)(CCO)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177409494 442337460 /nfs/dbraw/zinc/33/74/60/442337460.db2.gz LLWUCTVHMCRGSP-INIZCTEOSA-N 0 3 339.392 1.609 20 5 EDBDHN CN(C)CCn1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000130221590 442341120 /nfs/dbraw/zinc/34/11/20/442341120.db2.gz IQKLDQLPMXVBBV-UHFFFAOYSA-N 0 3 343.347 1.482 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(Cn3cncn3)CC2)c1 ZINC000186231255 442492427 /nfs/dbraw/zinc/49/24/27/442492427.db2.gz WABRIYAMXZBFRK-INIZCTEOSA-N 0 3 331.376 1.632 20 5 EDBDHN NC(=O)C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000192660484 442674301 /nfs/dbraw/zinc/67/43/01/442674301.db2.gz UTFCRKCWGBJPAG-HNNXBMFYSA-N 0 3 333.388 1.844 20 5 EDBDHN CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCN(C)CC1 ZINC000180813906 442661495 /nfs/dbraw/zinc/66/14/95/442661495.db2.gz PCVZZPOYQQYIGP-INIZCTEOSA-N 0 3 346.387 1.640 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-]CC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193266466 442727820 /nfs/dbraw/zinc/72/78/20/442727820.db2.gz IGAMAKNPZXBBLZ-SECBINFHSA-N 0 3 347.368 1.020 20 5 EDBDHN CN1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000188465514 442752872 /nfs/dbraw/zinc/75/28/72/442752872.db2.gz NCDBNSSDMRGMAT-UHFFFAOYSA-N 0 3 334.376 1.462 20 5 EDBDHN COCCN1CC[C@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000265514335 442804084 /nfs/dbraw/zinc/80/40/84/442804084.db2.gz GPUNKCQZHCAXMM-OCCSQVGLSA-N 0 3 336.392 1.676 20 5 EDBDHN CCN(CCO)CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183940146 442976667 /nfs/dbraw/zinc/97/66/67/442976667.db2.gz WZVOGJOKXFASHI-LLVKDONJSA-N 0 3 327.356 1.268 20 5 EDBDHN CC[C@@]1(CO)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249551241 442985482 /nfs/dbraw/zinc/98/54/82/442985482.db2.gz HZIQFOSPXDVESW-RHSMWYFYSA-N 0 3 338.404 1.819 20 5 EDBDHN CC(C)S(=O)(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000266201916 443055768 /nfs/dbraw/zinc/05/57/68/443055768.db2.gz ONUAAJMPCFMFCP-UHFFFAOYSA-N 0 3 341.433 1.887 20 5 EDBDHN CN(C(=O)CN[C@H]1CCCC[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000184817892 443080172 /nfs/dbraw/zinc/08/01/72/443080172.db2.gz KMOJMVMBJOFMOS-KGLIPLIRSA-N 0 3 334.376 1.191 20 5 EDBDHN COCCN1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255007493 443081291 /nfs/dbraw/zinc/08/12/91/443081291.db2.gz KPIOVNVKEIWDCI-SREVYHEPSA-N 0 3 333.388 1.835 20 5 EDBDHN COCCCN(C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266442840 443128057 /nfs/dbraw/zinc/12/80/57/443128057.db2.gz AFXZAHBVCRJTFM-UHFFFAOYSA-N 0 3 338.408 1.405 20 5 EDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CCCCC2)C1 ZINC000269062417 443186593 /nfs/dbraw/zinc/18/65/93/443186593.db2.gz VEOJSYXXUNLCFV-ZDUSSCGKSA-N 0 3 336.396 1.061 20 5 EDBDHN NCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237952310 443190178 /nfs/dbraw/zinc/19/01/78/443190178.db2.gz PMKCTYPEMFUYGU-UHFFFAOYSA-N 0 3 332.282 1.221 20 5 EDBDHN CCN1CCCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000269113732 443202454 /nfs/dbraw/zinc/20/24/54/443202454.db2.gz QYTYGRKCZAIGFD-UHFFFAOYSA-N 0 3 336.392 1.841 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[NH2+]C[C@H]2C)cc1C ZINC000262742210 443210274 /nfs/dbraw/zinc/21/02/74/443210274.db2.gz COPLAIVOCPXHCA-NEPJUHHUSA-N 0 3 327.406 1.488 20 5 EDBDHN COCCNC(=O)C1(N[C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000414209042 319320771 /nfs/dbraw/zinc/32/07/71/319320771.db2.gz MFSAQPWLCRTSGA-ZDUSSCGKSA-N 0 3 335.404 1.801 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000414648384 319335895 /nfs/dbraw/zinc/33/58/95/319335895.db2.gz BBRNGFXBPDCZGV-CABZTGNLSA-N 0 3 338.364 1.838 20 5 EDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185862626 443271454 /nfs/dbraw/zinc/27/14/54/443271454.db2.gz VRMRHTPZFYVWKK-ZDUSSCGKSA-N 0 3 327.406 1.700 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000264488929 443307646 /nfs/dbraw/zinc/30/76/46/443307646.db2.gz IZOFMIOUUYFPDG-CQSZACIVSA-N 0 3 346.387 1.386 20 5 EDBDHN COC(=O)C[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000269640253 443375986 /nfs/dbraw/zinc/37/59/86/443375986.db2.gz JTAAQBBEPHFIBX-TZMCWYRMSA-N 0 3 338.360 1.362 20 5 EDBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000272563560 443364918 /nfs/dbraw/zinc/36/49/18/443364918.db2.gz SLHUGCQPPZOPML-LBPRGKRZSA-N 0 3 341.433 1.946 20 5 EDBDHN CN(CCCN1C(=O)NC(C)(C)C1=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282554014 443372244 /nfs/dbraw/zinc/37/22/44/443372244.db2.gz XMDBWIRMAPLASE-UHFFFAOYSA-N 0 3 348.403 1.790 20 5 EDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCN1CCO ZINC000452397467 320249315 /nfs/dbraw/zinc/24/93/15/320249315.db2.gz ZXYSBGKWZYCVPH-MRXNPFEDSA-N 0 3 335.404 1.490 20 5 EDBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000298178600 443712750 /nfs/dbraw/zinc/71/27/50/443712750.db2.gz RJAGCUBUYVLPSQ-CQSZACIVSA-N 0 3 348.403 1.832 20 5 EDBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000535639692 320715803 /nfs/dbraw/zinc/71/58/03/320715803.db2.gz NGDVJDYXGFQTTE-UHFFFAOYSA-N 0 3 344.371 1.899 20 5 EDBDHN COCCN1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000288401777 443869963 /nfs/dbraw/zinc/86/99/63/443869963.db2.gz LGVVHSGTWUSDHR-UHFFFAOYSA-N 0 3 347.375 1.766 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000299262814 444000000 /nfs/dbraw/zinc/00/00/00/444000000.db2.gz LNRRUGNVTLNVRO-WFASDCNBSA-N 0 3 348.403 1.559 20 5 EDBDHN O=C(CCN[C@H]1CC(=O)N2CCCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000568742037 321304161 /nfs/dbraw/zinc/30/41/61/321304161.db2.gz DXAYZUXBVLVZHI-KBPBESRZSA-N 0 3 346.387 1.666 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299690028 444117397 /nfs/dbraw/zinc/11/73/97/444117397.db2.gz ZBVHPFRWRJIONN-CQSZACIVSA-N 0 3 348.447 1.907 20 5 EDBDHN Cc1c(F)cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000278301369 444133003 /nfs/dbraw/zinc/13/30/03/444133003.db2.gz COYXDDMBROPXRD-PHIMTYICSA-N 0 3 343.380 1.224 20 5 EDBDHN COC[C@]1(C(=O)OC)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296273509 444216465 /nfs/dbraw/zinc/21/64/65/444216465.db2.gz MKMFXKVDQLHXLR-INIZCTEOSA-N 0 3 338.360 1.485 20 5 EDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1 ZINC000296707645 444249907 /nfs/dbraw/zinc/24/99/07/444249907.db2.gz LORWEKUWEJILIM-IINYFYTJSA-N 0 3 335.320 1.411 20 5 EDBDHN COC(=O)Cn1cc(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000296735108 444251527 /nfs/dbraw/zinc/25/15/27/444251527.db2.gz OIMKEKGWBOSUBK-NSHDSACASA-N 0 3 333.348 1.253 20 5 EDBDHN CN1CCC[C@@H](N2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000305176246 444263102 /nfs/dbraw/zinc/26/31/02/444263102.db2.gz LPSJLJCWGUMNAP-QZTJIDSGSA-N 0 3 348.447 1.340 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000298122784 444422506 /nfs/dbraw/zinc/42/25/06/444422506.db2.gz MYIJTAAZEDTURG-LBPRGKRZSA-N 0 3 348.403 1.749 20 5 EDBDHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340615507 444461205 /nfs/dbraw/zinc/46/12/05/444461205.db2.gz DHYJWQMPVOGKOQ-JMPLFQLZSA-N 0 3 346.387 1.569 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCC[C@@H](O)C2)cc1 ZINC000581726571 322214191 /nfs/dbraw/zinc/21/41/91/322214191.db2.gz SXCQAGDXHCOYGL-GXTWGEPZSA-N 0 3 342.417 1.509 20 5 EDBDHN Cc1cc(NCc2ccncc2OCCN(C)C)ncc1[N+](=O)[O-] ZINC000341075240 444661088 /nfs/dbraw/zinc/66/10/88/444661088.db2.gz VCJSWIGGGSQINE-UHFFFAOYSA-N 0 3 331.376 2.246 20 5 EDBDHN CC1(C)NC(=O)CC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000338600317 444768688 /nfs/dbraw/zinc/76/86/88/444768688.db2.gz USLGDJHOQJZCRI-CQSZACIVSA-N 0 3 346.387 1.131 20 5 EDBDHN COC1CCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000341327887 444780146 /nfs/dbraw/zinc/78/01/46/444780146.db2.gz ICZCQMPKHKIIMC-UHFFFAOYSA-N 0 3 325.365 1.807 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCC(=O)NC12CCC2 ZINC000338636093 444785646 /nfs/dbraw/zinc/78/56/46/444785646.db2.gz JEDHNGJUSKGJOW-CYBMUJFWSA-N 0 3 346.387 1.633 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000342760633 444853075 /nfs/dbraw/zinc/85/30/75/444853075.db2.gz ZRKAPAYXQDTDRS-KGLIPLIRSA-N 0 3 346.387 1.937 20 5 EDBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000344440264 444972757 /nfs/dbraw/zinc/97/27/57/444972757.db2.gz MTGKOTPZEMSGLZ-GFCCVEGCSA-N 0 3 338.383 1.347 20 5 EDBDHN CN(C)CCOc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000337235622 444997566 /nfs/dbraw/zinc/99/75/66/444997566.db2.gz BVANKWDFQDPQCI-UHFFFAOYSA-N 0 3 333.348 1.370 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343533196 445239763 /nfs/dbraw/zinc/23/97/63/445239763.db2.gz MVOPCPQVQPGAKZ-DOMZBBRYSA-N 0 3 348.403 1.314 20 5 EDBDHN COc1cc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000343516063 445237114 /nfs/dbraw/zinc/23/71/14/445237114.db2.gz KNARYAXHPDIJDN-JQWIXIFHSA-N 0 3 337.376 1.825 20 5 EDBDHN COc1ccc(NC(=O)[C@@H](C)N2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000354503116 445267064 /nfs/dbraw/zinc/26/70/64/445267064.db2.gz POEPNDCVDGGWRH-GFCCVEGCSA-N 0 3 336.392 1.568 20 5 EDBDHN O=C(NC[C@H]1CCCN(Cc2cccnc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000362395335 445358604 /nfs/dbraw/zinc/35/86/04/445358604.db2.gz ISHYCVCCBZGXAJ-CYBMUJFWSA-N 0 3 344.375 1.355 20 5 EDBDHN CN(C)S(=O)(=O)c1ccc(NCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000357201247 445478542 /nfs/dbraw/zinc/47/85/42/445478542.db2.gz PCUKWNJNJGCGTK-UHFFFAOYSA-N 0 3 342.421 1.351 20 5 EDBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000357300716 445535521 /nfs/dbraw/zinc/53/55/21/445535521.db2.gz BQAYSDKYJULROB-ZDUSSCGKSA-N 0 3 347.375 1.370 20 5 EDBDHN C[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCN1C ZINC000360114022 445574450 /nfs/dbraw/zinc/57/44/50/445574450.db2.gz TXZANXWIOAIECQ-ZJUUUORDSA-N 0 3 328.394 1.137 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000349713545 445653345 /nfs/dbraw/zinc/65/33/45/445653345.db2.gz LHBKYQIKAVVRNE-LBPRGKRZSA-N 0 3 338.383 1.490 20 5 EDBDHN CC(C)OCC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000349857564 445702075 /nfs/dbraw/zinc/70/20/75/445702075.db2.gz VJXMPULSMPWAFL-HIFRSBDPSA-N 0 3 338.408 1.652 20 5 EDBDHN C[C@@H](CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])N(C)C ZINC000358679347 445712663 /nfs/dbraw/zinc/71/26/63/445712663.db2.gz BHVPBFQQCOJYGX-JTQLQIEISA-N 0 3 330.410 1.207 20 5 EDBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356434064 445788298 /nfs/dbraw/zinc/78/82/98/445788298.db2.gz XNOMWUSEFGMPPL-UHFFFAOYSA-N 0 3 349.366 1.671 20 5 EDBDHN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])nn1C)Cc1ccncc1 ZINC000584236562 326226831 /nfs/dbraw/zinc/22/68/31/326226831.db2.gz MSTRGUPIROAGJA-UHFFFAOYSA-N 0 3 346.391 1.317 20 5 EDBDHN CCCN(C)CC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000359239082 446070198 /nfs/dbraw/zinc/07/01/98/446070198.db2.gz FWILXAJDHVDBDU-UHFFFAOYSA-N 0 3 339.392 1.613 20 5 EDBDHN COc1cc(C[NH2+]C[C@@H]2CCn3ccnc3C2)c([N+](=O)[O-])cc1[O-] ZINC000369346938 446088775 /nfs/dbraw/zinc/08/87/75/446088775.db2.gz DIEOQEIEZIOQKC-LLVKDONJSA-N 0 3 332.360 1.858 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000373237259 446114281 /nfs/dbraw/zinc/11/42/81/446114281.db2.gz PGKJVEMITKXREA-UHFFFAOYSA-N 0 3 344.375 2.014 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359415321 446210274 /nfs/dbraw/zinc/21/02/74/446210274.db2.gz UROLOJWXOXFTOU-CQSZACIVSA-N 0 3 347.318 1.239 20 5 EDBDHN Cc1c(NC(=O)CCN2CCc3n[nH]nc3C2)cccc1[N+](=O)[O-] ZINC000351617906 446211976 /nfs/dbraw/zinc/21/19/76/446211976.db2.gz FEZDKZZQYAMRPV-UHFFFAOYSA-N 0 3 330.348 1.408 20 5 EDBDHN COc1ccc(OCCN(C)[C@@]2(CO)CCOC2)c([N+](=O)[O-])c1 ZINC000359577109 446300862 /nfs/dbraw/zinc/30/08/62/446300862.db2.gz GHYLISCGKDMXMU-OAHLLOKOSA-N 0 3 326.349 1.065 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000374071184 446350359 /nfs/dbraw/zinc/35/03/59/446350359.db2.gz YCLQEYNJULMRSU-LZWOXQAQSA-N 0 3 336.388 1.835 20 5 EDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CNCCO2)nc1-c1ccc(F)cc1 ZINC000420272499 446443228 /nfs/dbraw/zinc/44/32/28/446443228.db2.gz CMQPLZYOOBWZNI-ZDUSSCGKSA-N 0 3 332.335 2.196 20 5 EDBDHN CCOc1cc(N2CCC[C@@H](n3cc(CN)nn3)C2)ccc1[N+](=O)[O-] ZINC000420280914 446448581 /nfs/dbraw/zinc/44/85/81/446448581.db2.gz LSKFVUWIYRYMOV-CQSZACIVSA-N 0 3 346.391 1.885 20 5 EDBDHN CC[C@@](C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(N)=O ZINC000411396056 446518051 /nfs/dbraw/zinc/51/80/51/446518051.db2.gz WLNVQWKARJMQPU-OAHLLOKOSA-N 0 3 338.364 1.176 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375041452 446535261 /nfs/dbraw/zinc/53/52/61/446535261.db2.gz QJNBUUVVAWARIF-CZUORRHYSA-N 0 3 332.404 1.949 20 5 EDBDHN CC[NH2+]CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420413478 446586112 /nfs/dbraw/zinc/58/61/12/446586112.db2.gz FEQQZXSKCGYVBC-UHFFFAOYSA-N 0 3 341.311 1.501 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420443395 446619476 /nfs/dbraw/zinc/61/94/76/446619476.db2.gz LBFXCGAHVNGJDF-GFCCVEGCSA-N 0 3 327.406 1.714 20 5 EDBDHN C[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420426159 446600505 /nfs/dbraw/zinc/60/05/05/446600505.db2.gz JMZVWXBADNGGGB-SSDOTTSWSA-N 0 3 341.311 1.500 20 5 EDBDHN C[C@@H]1OCC[C@@H]1N(CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411665967 446638625 /nfs/dbraw/zinc/63/86/25/446638625.db2.gz UIFYHPAEJZBSIY-WFASDCNBSA-N 0 3 337.376 1.395 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F ZINC000420462975 446641931 /nfs/dbraw/zinc/64/19/31/446641931.db2.gz NKWNUKYZBFRWNY-JTQLQIEISA-N 0 3 337.348 1.418 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420579684 446687656 /nfs/dbraw/zinc/68/76/56/446687656.db2.gz BLPMQKZOBMXMNL-ZDUSSCGKSA-N 0 3 349.435 1.379 20 5 EDBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418778343 446695703 /nfs/dbraw/zinc/69/57/03/446695703.db2.gz INMPDEXQXLXWQZ-AAEUAGOBSA-N 0 3 336.392 1.262 20 5 EDBDHN C[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000418777131 446695793 /nfs/dbraw/zinc/69/57/93/446695793.db2.gz HATHHBIJAKIBID-ABAIWWIYSA-N 0 3 348.403 1.406 20 5 EDBDHN O=C(NC[C@H]1CCCN1CCc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000371301036 446756474 /nfs/dbraw/zinc/75/64/74/446756474.db2.gz CUFDOLGKYZVUIV-CQSZACIVSA-N 0 3 343.387 1.755 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411981685 446773462 /nfs/dbraw/zinc/77/34/62/446773462.db2.gz ORWBPKOOUOTIFE-YESZJQIVSA-N 0 3 347.415 1.925 20 5 EDBDHN O=C(CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000375405626 446778064 /nfs/dbraw/zinc/77/80/64/446778064.db2.gz RUBAQACVPXYXFS-CQSZACIVSA-N 0 3 335.408 1.877 20 5 EDBDHN O=C([C@@H]1CN2CCN1CCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000371368087 446811036 /nfs/dbraw/zinc/81/10/36/446811036.db2.gz FCHZERZDVPOIEW-KRWDZBQOSA-N 0 3 344.415 1.476 20 5 EDBDHN CC1(CN2CCOCC2)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000371371155 446812909 /nfs/dbraw/zinc/81/29/09/446812909.db2.gz AOEHCSMCMIOBAH-UHFFFAOYSA-N 0 3 337.424 1.226 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCCC[C@@H]2CN)cc1[N+](=O)[O-] ZINC000419272519 447047750 /nfs/dbraw/zinc/04/77/50/447047750.db2.gz PWMKHQIBLJZDDT-TZMCWYRMSA-N 0 3 348.403 1.420 20 5 EDBDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000443310165 447031780 /nfs/dbraw/zinc/03/17/80/447031780.db2.gz ODXKHTHSBDIFEG-HOSILWTGSA-N 0 3 338.404 1.816 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000421295136 447108364 /nfs/dbraw/zinc/10/83/64/447108364.db2.gz HQVXCSOVHVOUFR-GFCCVEGCSA-N 0 3 338.339 1.225 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(Cc3ccc(F)cc3)C2)c1 ZINC000375851136 447099629 /nfs/dbraw/zinc/09/96/29/447099629.db2.gz UCOUYWIQKWRHHQ-INIZCTEOSA-N 0 3 334.351 1.466 20 5 EDBDHN CN(C(=O)CN1CC[C@H](c2nc[nH]n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000425547998 447223558 /nfs/dbraw/zinc/22/35/58/447223558.db2.gz MVOKZFCJFLTTET-NSHDSACASA-N 0 3 330.348 1.165 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N(C)C[C@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000421707738 447227231 /nfs/dbraw/zinc/22/72/31/447227231.db2.gz YFVLHPHTIYYTLV-CQSZACIVSA-N 0 3 349.387 1.938 20 5 EDBDHN CC1(C)CCCN1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000452085915 447814239 /nfs/dbraw/zinc/81/42/39/447814239.db2.gz KWUUAHFACZBBHP-UHFFFAOYSA-N 0 3 341.433 1.889 20 5 EDBDHN CCO[C@@H]1COC[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451932503 447789324 /nfs/dbraw/zinc/78/93/24/447789324.db2.gz CVOIVLPFWBBSQA-HUUCEWRRSA-N 0 3 337.376 1.625 20 5 EDBDHN CC(COC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000497226464 447981631 /nfs/dbraw/zinc/98/16/31/447981631.db2.gz KNHGZQCRKHMKMG-NSHDSACASA-N 0 3 346.380 1.611 20 5 EDBDHN CN(Cc1ccc2c(c1)OCCO2)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525275483 447986461 /nfs/dbraw/zinc/98/64/61/447986461.db2.gz QFDZXOCMPIJFGX-AWEZNQCLSA-N 0 3 348.359 1.055 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000570223044 447967602 /nfs/dbraw/zinc/96/76/02/447967602.db2.gz LAHZTQCXFFPNIL-CUOATXAZSA-N 0 3 337.376 1.679 20 5 EDBDHN CN(C)CCN(CCN(C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000531122437 448023539 /nfs/dbraw/zinc/02/35/39/448023539.db2.gz XJCFKVXUIHWYMD-UHFFFAOYSA-N 0 3 326.372 1.299 20 5 EDBDHN CNc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000584489382 448547023 /nfs/dbraw/zinc/54/70/23/448547023.db2.gz FCLXBMLKMHHOAV-UHFFFAOYSA-N 0 3 332.364 1.647 20 5 EDBDHN CCN1CCC(Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000587036267 448833736 /nfs/dbraw/zinc/83/37/36/448833736.db2.gz SUQDLNDIXDJAOX-UHFFFAOYSA-N 0 3 333.392 1.681 20 5 EDBDHN Cn1c2cc(NC[C@@H]3CCCN(C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587973676 448849593 /nfs/dbraw/zinc/84/95/93/448849593.db2.gz LNRSGLGLDHCYGM-NSHDSACASA-N 0 3 333.392 1.539 20 5 EDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588864068 448942791 /nfs/dbraw/zinc/94/27/91/448942791.db2.gz ZYSUEAJYXOVWFL-CVEARBPZSA-N 0 3 333.388 1.195 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592898297 449042871 /nfs/dbraw/zinc/04/28/71/449042871.db2.gz FCKYOEKAUCJLAM-UHFFFAOYSA-N 0 3 349.387 1.540 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)CNc1ccccc1[N+](=O)[O-])CCO2 ZINC000592898285 449042965 /nfs/dbraw/zinc/04/29/65/449042965.db2.gz DNNHHUPVNXDKNU-UHFFFAOYSA-N 0 3 348.403 1.330 20 5 EDBDHN C[C@]1(c2cccc(F)c2)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593046604 449112580 /nfs/dbraw/zinc/11/25/80/449112580.db2.gz PPFZWJDYTLSWBU-SJORKVTESA-N 0 3 348.378 1.955 20 5 EDBDHN CCOc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000590440681 449161213 /nfs/dbraw/zinc/16/12/13/449161213.db2.gz ARBWJXDIURLKNM-SMDDNHRTSA-N 0 3 349.387 1.778 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1COCCO1 ZINC000595736586 449138584 /nfs/dbraw/zinc/13/85/84/449138584.db2.gz MTOKGGSYEYWVCU-AWEZNQCLSA-N 0 3 337.376 1.579 20 5 EDBDHN COc1ccc(OCCN2CC[C@H]3NC(=O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595741435 449141780 /nfs/dbraw/zinc/14/17/80/449141780.db2.gz NWLKPZVIXNADSL-GXTWGEPZSA-N 0 3 349.387 1.583 20 5 EDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000590398804 449147181 /nfs/dbraw/zinc/14/71/81/449147181.db2.gz ALQYRPYICSMIEH-JKSUJKDBSA-N 0 3 349.387 1.295 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595753294 449148404 /nfs/dbraw/zinc/14/84/04/449148404.db2.gz YLHHTXRUQFPNPL-WBVHZDCISA-N 0 3 336.388 1.571 20 5 EDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000590400538 449148619 /nfs/dbraw/zinc/14/86/19/449148619.db2.gz WADKIRSAYKUDFE-JKSUJKDBSA-N 0 3 333.388 1.459 20 5 EDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590563996 449193889 /nfs/dbraw/zinc/19/38/89/449193889.db2.gz BJZFLWRDZHWMCF-JKSUJKDBSA-N 0 3 333.388 1.459 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](F)[C@H](N)C1 ZINC000595906269 449245044 /nfs/dbraw/zinc/24/50/44/449245044.db2.gz IOTZKWVNSPGUIU-VXGBXAGGSA-N 0 3 340.355 1.303 20 5 EDBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000590752385 449271871 /nfs/dbraw/zinc/27/18/71/449271871.db2.gz MLFDUVZOXXFNHS-GDLCADMTSA-N 0 3 335.360 1.853 20 5 EDBDHN CC(C)[C@H](O)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000596065219 449344247 /nfs/dbraw/zinc/34/42/47/449344247.db2.gz GWZBGZRPEKSTFC-BBWFWOEESA-N 0 3 348.403 1.500 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H](O)CN1CCCCC1 ZINC000593537227 449332180 /nfs/dbraw/zinc/33/21/80/449332180.db2.gz GCJBFXSORLYFTQ-AWEZNQCLSA-N 0 3 339.367 1.239 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](CN)C(F)(F)F ZINC000596051315 449337529 /nfs/dbraw/zinc/33/75/29/449337529.db2.gz MSAZXIIHELOKHI-SNVBAGLBSA-N 0 3 341.311 1.413 20 5 EDBDHN CC1(C)CNCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000602431782 449581476 /nfs/dbraw/zinc/58/14/76/449581476.db2.gz FXRLCBZRQKFTBQ-UHFFFAOYSA-N 0 3 347.350 1.744 20 5 EDBDHN Cn1nnnc1CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602584230 449686605 /nfs/dbraw/zinc/68/66/05/449686605.db2.gz YQVQKQZOSJRYKF-UHFFFAOYSA-N 0 3 330.270 1.469 20 5 EDBDHN Cc1ccncc1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594716867 449645279 /nfs/dbraw/zinc/64/52/79/449645279.db2.gz YLLKZBXVZCUNKD-UHFFFAOYSA-N 0 3 349.412 1.904 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCN3CC[C@H](O)C3)cs2)c1 ZINC000599019216 449699757 /nfs/dbraw/zinc/69/97/57/449699757.db2.gz RQQWOLWSNUCQQK-HNNXBMFYSA-N 0 3 348.428 1.875 20 5 EDBDHN O=[N+]([O-])c1ccc(CNCCCN2CCCS2(=O)=O)c(Cl)c1 ZINC000601136896 449710425 /nfs/dbraw/zinc/71/04/25/449710425.db2.gz LNUBQNKQAPKKRJ-UHFFFAOYSA-N 0 3 347.824 1.763 20 5 EDBDHN C[C@H]1CN(CC(C)(C)O)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000614822749 449831614 /nfs/dbraw/zinc/83/16/14/449831614.db2.gz SQBXNFZIRNDWNQ-LBPRGKRZSA-N 0 3 345.403 1.819 20 5 EDBDHN [NH3+]C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000595111394 449875652 /nfs/dbraw/zinc/87/56/52/449875652.db2.gz JPTVSKHMAJYGKS-XYPYZODXSA-N 0 3 328.394 1.033 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)c([N+](=O)[O-])s1 ZINC000601369460 449884152 /nfs/dbraw/zinc/88/41/52/449884152.db2.gz NREUVSYJORBAFF-PSASIEDQSA-N 0 3 333.435 1.535 20 5 EDBDHN CN(C)CCn1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])cn1 ZINC000608879323 449947861 /nfs/dbraw/zinc/94/78/61/449947861.db2.gz QNDPOTJZSIHFNB-UHFFFAOYSA-N 0 3 332.364 1.404 20 5 EDBDHN CC(C)(C(=O)N[C@@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000603052073 450035662 /nfs/dbraw/zinc/03/56/62/450035662.db2.gz GQUJFWZIQVGEGJ-CQSZACIVSA-N 0 3 335.404 1.445 20 5 EDBDHN COc1ccc([C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cn1 ZINC000599695536 450160760 /nfs/dbraw/zinc/16/07/60/450160760.db2.gz DAPFRPMNDCEACR-GOEBONIOSA-N 0 3 347.375 1.297 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000610390130 450205994 /nfs/dbraw/zinc/20/59/94/450205994.db2.gz ULPXGIHLCLEHIJ-CVEARBPZSA-N 0 3 332.360 1.695 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccc(F)cc3)CCC2)c1 ZINC000610390333 450206042 /nfs/dbraw/zinc/20/60/42/450206042.db2.gz ALSAOHPGJNOCSZ-HNNXBMFYSA-N 0 3 334.351 1.960 20 5 EDBDHN CN(C)CCn1cc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cn1 ZINC000610478022 450235301 /nfs/dbraw/zinc/23/53/01/450235301.db2.gz CVCGIMRPECWXCF-UHFFFAOYSA-N 0 3 346.391 1.717 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CN1C1CC1 ZINC000610653947 450285431 /nfs/dbraw/zinc/28/54/31/450285431.db2.gz PPUWJGYMHYUNAE-WDEREUQCSA-N 0 3 347.371 1.721 20 5 EDBDHN O=[N+]([O-])c1ccn(C2CCN(CCN3C[C@H]4CC[C@@H](C3)O4)CC2)n1 ZINC000618761248 450296469 /nfs/dbraw/zinc/29/64/69/450296469.db2.gz XLKUFYZJRYNYJK-GASCZTMLSA-N 0 3 335.408 1.291 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000616089491 450318264 /nfs/dbraw/zinc/31/82/64/450318264.db2.gz XZCUTENAGFCCGY-CYBMUJFWSA-N 0 3 337.376 1.330 20 5 EDBDHN COCCNC(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603873114 450362628 /nfs/dbraw/zinc/36/26/28/450362628.db2.gz DUFPGFDCUHXZBB-UHFFFAOYSA-N 0 3 335.404 1.612 20 5 EDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000610913437 450378854 /nfs/dbraw/zinc/37/88/54/450378854.db2.gz VTTYUXFDYDCBGU-CQSZACIVSA-N 0 3 337.351 1.717 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000184079457 533907418 /nfs/dbraw/zinc/90/74/18/533907418.db2.gz RMSLYUZWBQBBAA-CQSZACIVSA-N 0 3 349.435 1.149 20 5 EDBDHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000160296160 527980764 /nfs/dbraw/zinc/98/07/64/527980764.db2.gz PCWVHUMKDLWFTA-CYBMUJFWSA-N 0 3 341.433 1.994 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183327821 528085027 /nfs/dbraw/zinc/08/50/27/528085027.db2.gz UNMDCZFEQDAZPB-UHFFFAOYSA-N 0 3 348.447 1.889 20 5 EDBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000183952581 528548879 /nfs/dbraw/zinc/54/88/79/528548879.db2.gz WBJLKXVINGXJEC-UHFFFAOYSA-N 0 3 332.360 1.187 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000353211489 536476554 /nfs/dbraw/zinc/47/65/54/536476554.db2.gz UFBQKZAWOGKMRM-WYVULQQZSA-N 0 3 344.389 1.003 20 5 EDBDHN COC(=O)c1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000247000009 536874312 /nfs/dbraw/zinc/87/43/12/536874312.db2.gz FLZGHEOZELFKOM-FZMZJTMJSA-N 0 3 347.371 1.690 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H](O)c2cccc(Cl)c2)c1 ZINC000743261553 579474515 /nfs/dbraw/zinc/47/45/15/579474515.db2.gz VCHSALMWWTXDOG-ZIAGYGMSSA-N 0 3 340.767 1.129 20 5 EDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729498505 578577077 /nfs/dbraw/zinc/57/70/77/578577077.db2.gz OXJSHFYRDFSRNW-GJZGRUSLSA-N 0 3 334.376 1.257 20 5 EDBDHN CN(C)C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCO1 ZINC000731304666 578673652 /nfs/dbraw/zinc/67/36/52/578673652.db2.gz ZJRQMFBIMMHVCA-AWEZNQCLSA-N 0 3 348.403 1.254 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000733159863 578746114 /nfs/dbraw/zinc/74/61/14/578746114.db2.gz YJCNBWGWALVKRF-QGZVFWFLSA-N 0 3 347.415 1.897 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000749679148 579734545 /nfs/dbraw/zinc/73/45/45/579734545.db2.gz VIVIRBSFWXGBMV-GOEBONIOSA-N 0 3 343.387 1.677 20 5 EDBDHN O=[N+]([O-])c1c(N2CCN(C[C@@H]3CCOC3)CC2)nc2ccccn21 ZINC000750029364 579749043 /nfs/dbraw/zinc/74/90/43/579749043.db2.gz HMZPVLBFFRGATQ-ZDUSSCGKSA-N 0 3 331.376 1.401 20 5 EDBDHN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCN1CCCC1 ZINC000781570046 580552585 /nfs/dbraw/zinc/55/25/85/580552585.db2.gz XKZGAIJSKSAPRP-UHFFFAOYSA-N 0 3 336.348 1.648 20 5 EDBDHN CCS(=O)(=O)CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000788427868 580721149 /nfs/dbraw/zinc/72/11/49/580721149.db2.gz AQQSFOVVSFMQEU-NEPJUHHUSA-N 0 3 330.410 1.299 20 5 EDBDHN CN1CC[C@](O)(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790931721 580781562 /nfs/dbraw/zinc/78/15/62/580781562.db2.gz RACMANVQGMFVQK-AWEZNQCLSA-N 0 3 345.758 1.113 20 5 EDBDHN COC(=O)c1cc(NC(=S)NCCN(C)C)c(C)c([N+](=O)[O-])c1 ZINC000792686103 580824944 /nfs/dbraw/zinc/82/49/44/580824944.db2.gz UHQKKNSKOVNFGB-UHFFFAOYSA-N 0 3 340.405 1.538 20 5 EDBDHN CNC(=O)[C@]1(C)CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000797413339 580974705 /nfs/dbraw/zinc/97/47/05/580974705.db2.gz CIISSESDPZXPRN-QGZVFWFLSA-N 0 3 343.387 1.874 20 5 EDBDHN CN1CCN(C)CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000897096270 591737943 /nfs/dbraw/zinc/73/79/43/591737943.db2.gz BAZYZVGCWKIXHO-UHFFFAOYSA-N 0 3 335.433 1.888 20 5 EDBDHN CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000899739439 591927239 /nfs/dbraw/zinc/92/72/39/591927239.db2.gz YWSOBUAISXAZBI-UHFFFAOYSA-N 0 3 335.282 1.268 20 5 EDBDHN CC(C)N1CCN(CCC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000900241013 591952137 /nfs/dbraw/zinc/95/21/37/591952137.db2.gz NNXLZEXKJOZQAD-UHFFFAOYSA-N 0 3 334.420 1.627 20 5 EDBDHN O=C(N[C@@H](CO)CN1CCCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908206440 592384221 /nfs/dbraw/zinc/38/42/21/592384221.db2.gz RWQONISXYQUFKI-SNVBAGLBSA-N 0 3 345.758 1.574 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000908278380 592422442 /nfs/dbraw/zinc/42/24/42/592422442.db2.gz HADSIPYZBWVRPG-WFASDCNBSA-N 0 3 335.360 1.795 20 5 EDBDHN CN1C[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)[C@@H]2C1 ZINC000908348399 592455830 /nfs/dbraw/zinc/45/58/30/592455830.db2.gz OBDLKNSIFPMEFC-SMDDNHRTSA-N 0 3 347.371 1.532 20 5 EDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907547181 592702628 /nfs/dbraw/zinc/70/26/28/592702628.db2.gz BISQPDIWGNQJGA-RISCZKNCSA-N 0 3 325.390 1.167 20 5 EDBDHN CN1CC[C@@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906360379 592804607 /nfs/dbraw/zinc/80/46/07/592804607.db2.gz WCQOSWMPOPBOFL-NSHDSACASA-N 0 3 335.360 1.438 20 5 EDBDHN CCN1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000910295727 592833160 /nfs/dbraw/zinc/83/31/60/592833160.db2.gz WTPOBPRYCDBNCF-LLVKDONJSA-N 0 3 335.360 1.880 20 5 EDBDHN CCN1CC[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000910471277 592868049 /nfs/dbraw/zinc/86/80/49/592868049.db2.gz AJFBDEFAGAJPCF-NSHDSACASA-N 0 3 335.360 1.580 20 5 EDBDHN COc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813100550 593517386 /nfs/dbraw/zinc/51/73/86/593517386.db2.gz UESKTUGWLHFKEB-JTQLQIEISA-N 0 3 325.317 1.875 20 5 EDBDHN COc1cccc(/C=C(\C(=O)OCC(C)[N+](=O)[O-])n2nnnc2C)c1 ZINC000813105071 593517627 /nfs/dbraw/zinc/51/76/27/593517627.db2.gz JKYFUVRYIJHQKK-WWNSAXIVSA-N 0 3 347.331 1.197 20 5 EDBDHN COc1ccc(-c2noc(CCC(=O)OCC(C)[N+](=O)[O-])n2)cc1 ZINC000813104052 593517746 /nfs/dbraw/zinc/51/77/46/593517746.db2.gz JDSMQBQSDSOHLA-JTQLQIEISA-N 0 3 335.316 1.886 20 5 EDBDHN CC(COC(=O)CCCNC(=O)c1ccc(F)cc1F)[N+](=O)[O-] ZINC000813103624 593517858 /nfs/dbraw/zinc/51/78/58/593517858.db2.gz RVBIORLVOMAJIV-SECBINFHSA-N 0 3 330.287 1.683 20 5 EDBDHN CC(COC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)[N+](=O)[O-] ZINC000813106672 593518089 /nfs/dbraw/zinc/51/80/89/593518089.db2.gz FSEIZVLDKLJRGU-SNVBAGLBSA-N 0 3 344.389 1.585 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813115487 593518942 /nfs/dbraw/zinc/51/89/42/593518942.db2.gz SZBVFCLAPIHBOD-GFCCVEGCSA-N 0 3 344.389 1.180 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000815285444 593625008 /nfs/dbraw/zinc/62/50/08/593625008.db2.gz HDESUOOPARZLQH-IXDOHACOSA-N 0 3 336.388 1.538 20 5 EDBDHN Cc1cc(NCCS(=O)(=O)C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000840372948 593737759 /nfs/dbraw/zinc/73/77/59/593737759.db2.gz KTFJXSQFOXYUPY-UHFFFAOYSA-N 0 3 335.385 1.862 20 5 EDBDHN CS(=O)(=O)C1(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000819307965 593749763 /nfs/dbraw/zinc/74/97/63/593749763.db2.gz JWVRDNCJFSBACQ-AWEZNQCLSA-N 0 3 342.417 1.575 20 5 EDBDHN CC[N@@H+]1CCC[C@@H]1CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821267806 594003027 /nfs/dbraw/zinc/00/30/27/594003027.db2.gz RJQMBLOOALNFPG-SNVBAGLBSA-N 0 3 332.368 1.090 20 5 EDBDHN CC[N@H+]1CCC[C@@H]1CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821267806 594003030 /nfs/dbraw/zinc/00/30/30/594003030.db2.gz RJQMBLOOALNFPG-SNVBAGLBSA-N 0 3 332.368 1.090 20 5 EDBDHN CC[N@@H+]1CCC[C@@H]1CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821267806 594003032 /nfs/dbraw/zinc/00/30/32/594003032.db2.gz RJQMBLOOALNFPG-SNVBAGLBSA-N 0 3 332.368 1.090 20 5 EDBDHN CC[N@H+]1CCC[C@@H]1CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821267806 594003035 /nfs/dbraw/zinc/00/30/35/594003035.db2.gz RJQMBLOOALNFPG-SNVBAGLBSA-N 0 3 332.368 1.090 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCCN1CCCO ZINC000823249956 594175927 /nfs/dbraw/zinc/17/59/27/594175927.db2.gz RQIRGYMQKFVGAB-CQSZACIVSA-N 0 3 335.404 1.788 20 5 EDBDHN O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(N3CCNCC3)no2)n1 ZINC000823304456 594182949 /nfs/dbraw/zinc/18/29/49/594182949.db2.gz XDRPHIGAAOWUQB-UHFFFAOYSA-N 0 3 341.331 1.240 20 5 EDBDHN Cc1ccc(CNC(=O)c2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000825640500 594210350 /nfs/dbraw/zinc/21/03/50/594210350.db2.gz HCBOLMIUBXGHMV-UHFFFAOYSA-N 0 3 331.376 1.591 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000826678037 594553013 /nfs/dbraw/zinc/55/30/13/594553013.db2.gz USVVEGSJFDXJLB-SNVBAGLBSA-N 0 3 326.784 1.804 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]C2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000842481740 595118128 /nfs/dbraw/zinc/11/81/28/595118128.db2.gz OZTSNWKYZRQHDD-UHFFFAOYSA-N 0 3 347.824 1.977 20 5 EDBDHN COCCN1CCC(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843777111 595183036 /nfs/dbraw/zinc/18/30/36/595183036.db2.gz BEZYRPMOEIYFHO-UHFFFAOYSA-N 0 3 339.367 1.883 20 5 EDBDHN [NH3+]C1CC2(C1)CC([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000842795577 595201872 /nfs/dbraw/zinc/20/18/72/595201872.db2.gz SMXBGGQIOYWCDK-UHFFFAOYSA-N 0 3 345.808 1.796 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000842813966 595207367 /nfs/dbraw/zinc/20/73/67/595207367.db2.gz BPRKBTQMLMRFNX-VHSXEESVSA-N 0 3 347.824 1.975 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H](O)c2ccccn2)c1 ZINC000843091741 595285111 /nfs/dbraw/zinc/28/51/11/595285111.db2.gz ANMMXXDOFASVRN-CJNGLKHVSA-N 0 3 333.344 1.053 20 5 EDBDHN O=C([N-]C[C@H]1CCC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764400 595599852 /nfs/dbraw/zinc/59/98/52/595599852.db2.gz QTSHTGCTYANSDL-JTQLQIEISA-N 0 3 329.303 1.682 20 5 EDBDHN C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000857766748 595600999 /nfs/dbraw/zinc/60/09/99/595600999.db2.gz RWIKSAKKEBFVCT-NXEZZACHSA-N 0 3 329.303 1.823 20 5 EDBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000853080675 595658442 /nfs/dbraw/zinc/65/84/42/595658442.db2.gz CDAGOILCVFJMLP-MRVPVSSYSA-N 0 3 345.274 1.244 20 5 EDBDHN CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000855489595 595726229 /nfs/dbraw/zinc/72/62/29/595726229.db2.gz AVMDYUAATDPKDI-CQSZACIVSA-N 0 3 349.387 1.729 20 5 EDBDHN CCN(CCN)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000861512198 596010648 /nfs/dbraw/zinc/01/06/48/596010648.db2.gz CMPRBAKYQFOEEH-UHFFFAOYSA-N 0 3 336.392 1.638 20 5 EDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000861984344 596170279 /nfs/dbraw/zinc/17/02/79/596170279.db2.gz BRLUNXSSVPLJEJ-UHFFFAOYSA-N 0 3 348.403 1.504 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN(CCN2CCOCC2)CC2CC2)c1 ZINC000852636210 596215018 /nfs/dbraw/zinc/21/50/18/596215018.db2.gz PUJWFAHCPZZJFZ-GOSISDBHSA-N 0 3 349.431 1.672 20 5 EDBDHN O=C1OC[C@@]2(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])COCCN12 ZINC000866520431 596238689 /nfs/dbraw/zinc/23/86/89/596238689.db2.gz BCQGQHPNDOUQGO-CZUORRHYSA-N 0 3 333.344 1.393 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000869776987 596628216 /nfs/dbraw/zinc/62/82/16/596628216.db2.gz DJAONVKKBTXMNU-JTQLQIEISA-N 0 3 325.340 1.309 20 5 EDBDHN O=C1OC[C@]2(CNC/C=C\c3ccccc3[N+](=O)[O-])COCCN12 ZINC000865769042 596675362 /nfs/dbraw/zinc/67/53/62/596675362.db2.gz SJMHUKLFRASKIZ-IMMZDGJCSA-N 0 3 333.344 1.419 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119845351 596757025 /nfs/dbraw/zinc/75/70/25/596757025.db2.gz GACROTXMGFGLRK-KOLCDFICSA-N 0 3 333.435 1.617 20 5 EDBDHN CN1CC[C@H]2CN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866205503 596826647 /nfs/dbraw/zinc/82/66/47/596826647.db2.gz FCDHXGZXNFDZKA-AAEUAGOBSA-N 0 3 339.417 1.529 20 5 EDBDHN CN1CCN(C2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)CC1 ZINC000866212894 596829978 /nfs/dbraw/zinc/82/99/78/596829978.db2.gz XQWXRQDBXNJHBH-UHFFFAOYSA-N 0 3 349.391 1.719 20 5 EDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000866384518 596872254 /nfs/dbraw/zinc/87/22/54/596872254.db2.gz ZFMIXUVEFYYATM-ZWNOBZJWSA-N 0 3 345.396 1.288 20 5 EDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000120020685 596875627 /nfs/dbraw/zinc/87/56/27/596875627.db2.gz JKEBDMPKDXHSNY-PWSUYJOCSA-N 0 3 345.446 1.761 20 5 EDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000874831677 597189144 /nfs/dbraw/zinc/18/91/44/597189144.db2.gz AHOYRKFRMQBHLM-NEPJUHHUSA-N 0 3 333.344 1.632 20 5 EDBDHN Cc1c(CNCC(=O)NCCN2CCCCCC2)cccc1[N+](=O)[O-] ZINC000877549073 597534273 /nfs/dbraw/zinc/53/42/73/597534273.db2.gz XSHHMFSMRDALPR-UHFFFAOYSA-N 0 3 348.447 1.985 20 5 EDBDHN COc1ccc(CNCC[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883299587 597705836 /nfs/dbraw/zinc/70/58/36/597705836.db2.gz YXSWTISVYIKRDU-GFCCVEGCSA-N 0 3 328.390 1.660 20 5 EDBDHN CN1CCC[C@H]2[C@@H]1CCN2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880137848 597853627 /nfs/dbraw/zinc/85/36/27/597853627.db2.gz LNPRTRQDYWRDGR-HOTGVXAUSA-N 0 3 344.415 1.652 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nnn[n-]2)c1 ZINC000738369296 598499162 /nfs/dbraw/zinc/49/91/62/598499162.db2.gz KKVNLHPJAYVYHV-VXGBXAGGSA-N 0 3 330.352 1.209 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(-c2nnn[n-]2)c1 ZINC000738369296 598499163 /nfs/dbraw/zinc/49/91/63/598499163.db2.gz KKVNLHPJAYVYHV-VXGBXAGGSA-N 0 3 330.352 1.209 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nn[n-]n2)c1 ZINC000738369296 598499165 /nfs/dbraw/zinc/49/91/65/598499165.db2.gz KKVNLHPJAYVYHV-VXGBXAGGSA-N 0 3 330.352 1.209 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(-c2nn[n-]n2)c1 ZINC000738369296 598499167 /nfs/dbraw/zinc/49/91/67/598499167.db2.gz KKVNLHPJAYVYHV-VXGBXAGGSA-N 0 3 330.352 1.209 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)c2cnco2)CC1 ZINC000940238178 700422047 /nfs/dbraw/zinc/42/20/47/700422047.db2.gz UGLDVIAPFUPRAG-UHFFFAOYSA-N 0 3 348.363 1.101 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]1CN1CCCCC1 ZINC000068132260 215280418 /nfs/dbraw/zinc/28/04/18/215280418.db2.gz NXYNLOYUZHJURB-AWEZNQCLSA-N 0 3 348.403 1.233 20 5 EDBDHN CCN1CC[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000412841430 304040379 /nfs/dbraw/zinc/04/03/79/304040379.db2.gz NQCIJVFANOJFBF-CYBMUJFWSA-N 0 3 343.387 1.819 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCN(C3CC3)CC2)c1 ZINC000061041529 138164098 /nfs/dbraw/zinc/16/40/98/138164098.db2.gz ZCYJTLGNVGFQEN-INIZCTEOSA-N 0 3 335.404 1.505 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078650839 138258452 /nfs/dbraw/zinc/25/84/52/138258452.db2.gz IVCBROZPPKAHTA-NEPJUHHUSA-N 0 3 339.779 1.841 20 5 EDBDHN CCCS(=O)(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000078999658 138259843 /nfs/dbraw/zinc/25/98/43/138259843.db2.gz GMTLPWWURPRDOS-UHFFFAOYSA-N 0 3 341.433 1.889 20 5 EDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000090015341 138277293 /nfs/dbraw/zinc/27/72/93/138277293.db2.gz HKYSUQMFUVOAHR-NSHDSACASA-N 0 3 327.406 1.651 20 5 EDBDHN C[C@@H](C[S@](C)=O)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000130385024 138341049 /nfs/dbraw/zinc/34/10/49/138341049.db2.gz YMYLUHBWUOJJRL-SDWAUSNYSA-N 0 3 345.396 1.761 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000078508433 217065813 /nfs/dbraw/zinc/06/58/13/217065813.db2.gz HJICPAKIGUFQRF-UHFFFAOYSA-N 0 3 325.365 1.254 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237666048 139057395 /nfs/dbraw/zinc/05/73/95/139057395.db2.gz MLPVBUSTQGIEAX-FOSCPWQOSA-N 0 3 325.390 1.465 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCNCc1cccnc1 ZINC000238104663 139069158 /nfs/dbraw/zinc/06/91/58/139069158.db2.gz YONRXLGXCGIMHD-UHFFFAOYSA-N 0 3 328.372 1.828 20 5 EDBDHN C[C@H]1CN(C)c2ccccc2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246437911 139108498 /nfs/dbraw/zinc/10/84/98/139108498.db2.gz LTFLQNNGFNEERG-XJKSGUPXSA-N 0 3 345.403 1.493 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN3CCCC[C@H]3C2)c1 ZINC000248370140 139160850 /nfs/dbraw/zinc/16/08/50/139160850.db2.gz XCPQKHCUUCOBQV-HOTGVXAUSA-N 0 3 335.404 1.505 20 5 EDBDHN CCc1ccccc1[C@H](N)CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415392387 304212436 /nfs/dbraw/zinc/21/24/36/304212436.db2.gz XWERTBRUDLBAKH-CYBMUJFWSA-N 0 3 329.360 1.796 20 5 EDBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248418096 139162960 /nfs/dbraw/zinc/16/29/60/139162960.db2.gz KAZYOGFPTWCGHB-TUAOUCFPSA-N 0 3 335.408 1.668 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N(C)C1 ZINC000346697798 250044394 /nfs/dbraw/zinc/04/43/94/250044394.db2.gz GYXVDGZSMGDBER-NEPJUHHUSA-N 0 3 346.387 1.867 20 5 EDBDHN Cc1nnc(CCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000570154936 306531674 /nfs/dbraw/zinc/53/16/74/306531674.db2.gz FVFKCSYRWMWPKF-LBPRGKRZSA-N 0 3 338.389 1.327 20 5 EDBDHN C[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000263674446 139351816 /nfs/dbraw/zinc/35/18/16/139351816.db2.gz GZANQURCQCVCRW-AWEZNQCLSA-N 0 3 332.404 1.585 20 5 EDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCN1CCO ZINC000493767572 255221278 /nfs/dbraw/zinc/22/12/78/255221278.db2.gz BFVZHAVMEXDNIO-KXPUMZMLSA-N 0 3 333.388 1.571 20 5 EDBDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118117975 221123598 /nfs/dbraw/zinc/12/35/98/221123598.db2.gz ZIBKAARAZYAPDW-LLVKDONJSA-N 0 3 336.392 1.688 20 5 EDBDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118118300 221122582 /nfs/dbraw/zinc/12/25/82/221122582.db2.gz YSELOZHXVLTMGE-GFCCVEGCSA-N 0 3 336.392 1.688 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000184356753 533584762 /nfs/dbraw/zinc/58/47/62/533584762.db2.gz IMKJXUZSDRNRIG-AWEZNQCLSA-N 0 3 334.420 1.280 20 5 EDBDHN Cc1c(C(=O)NCC2(N(C)C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000416302597 304306414 /nfs/dbraw/zinc/30/64/14/304306414.db2.gz PBNYUVNTCVHZHJ-UHFFFAOYSA-N 0 3 344.375 1.308 20 5 EDBDHN C[C@@H](CO)N1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000347074452 143279430 /nfs/dbraw/zinc/27/94/30/143279430.db2.gz BWRCHDRKOYZPMP-LBPRGKRZSA-N 0 3 346.387 1.605 20 5 EDBDHN C[C@H](CO)N1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1 ZINC000347203491 143294447 /nfs/dbraw/zinc/29/44/47/143294447.db2.gz CMNOJBKXXDTNHB-GFCCVEGCSA-N 0 3 346.387 1.605 20 5 EDBDHN CN(c1ccccc1)c1ccc(CNC[C@@H](O)CO)cc1[N+](=O)[O-] ZINC000347530815 143331931 /nfs/dbraw/zinc/33/19/31/143331931.db2.gz VGLGINDWELWRDZ-OAHLLOKOSA-N 0 3 331.372 1.806 20 5 EDBDHN C[C@H](N[C@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369880423 155216542 /nfs/dbraw/zinc/21/65/42/155216542.db2.gz ALXWUOXTRVJQCD-RDJZCZTQSA-N 0 3 348.447 1.652 20 5 EDBDHN CN(C)CCn1nnnc1SCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352900488 149209395 /nfs/dbraw/zinc/20/93/95/149209395.db2.gz IXZFYWGYVXSAHT-UHFFFAOYSA-N 0 3 348.392 1.312 20 5 EDBDHN NC(C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000352949777 149226073 /nfs/dbraw/zinc/22/60/73/149226073.db2.gz VSHAVNLXHYUYSS-LBPRGKRZSA-N 0 3 347.293 1.854 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C1CCN(C)CC1 ZINC000354952006 150051582 /nfs/dbraw/zinc/05/15/82/150051582.db2.gz PCMJXADYEOEVDY-LBPRGKRZSA-N 0 3 335.408 1.163 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000355367277 150236930 /nfs/dbraw/zinc/23/69/30/150236930.db2.gz NYXIMTFRFMYNNE-HOCLYGCPSA-N 0 3 349.387 1.295 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN1C ZINC000357382386 151013984 /nfs/dbraw/zinc/01/39/84/151013984.db2.gz CFLPTYLEMSRGKR-WCQYABFASA-N 0 3 344.375 1.388 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CNCCC1(F)F ZINC000417179566 304381003 /nfs/dbraw/zinc/38/10/03/304381003.db2.gz MDNXQQFLISMSNL-LBPRGKRZSA-N 0 3 344.318 1.400 20 5 EDBDHN COC(=O)[C@@]12CCC[C@@H]1CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000363699461 153033782 /nfs/dbraw/zinc/03/37/82/153033782.db2.gz LCKRJQKFCAWSBK-CXAGYDPISA-N 0 3 347.371 1.469 20 5 EDBDHN Cc1c(NC(=O)CCN(C)[C@H]2CCCCNC2=O)cccc1[N+](=O)[O-] ZINC000364115426 153148525 /nfs/dbraw/zinc/14/85/25/153148525.db2.gz PSDMQJCKDIHPPD-HNNXBMFYSA-N 0 3 348.403 1.832 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000367194955 154036659 /nfs/dbraw/zinc/03/66/59/154036659.db2.gz LIQQDCRSOKWBEK-GFCCVEGCSA-N 0 3 327.406 1.632 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](NCc3ccccc3)C2)n1 ZINC000367395943 154105182 /nfs/dbraw/zinc/10/51/82/154105182.db2.gz DZAJEBMHXQQEFS-CQSZACIVSA-N 0 3 343.387 1.723 20 5 EDBDHN CN(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000367746034 154251505 /nfs/dbraw/zinc/25/15/05/154251505.db2.gz LCHOAJOCRDMQFA-RYUDHWBXSA-N 0 3 328.756 1.387 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC2CC(c3ccccn3)C2)cc1 ZINC000368020327 154372258 /nfs/dbraw/zinc/37/22/58/154372258.db2.gz VJWSEBMCHSDYTQ-PCHAPFSGSA-N 0 3 343.383 1.920 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000372156255 156246616 /nfs/dbraw/zinc/24/66/16/156246616.db2.gz NONRWOVAXFRMCG-YESZJQIVSA-N 0 3 335.404 1.159 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(CCN3CCCCC3)c2)n1 ZINC000374489674 157306088 /nfs/dbraw/zinc/30/60/88/157306088.db2.gz SYYCKUZUWWYVRA-UHFFFAOYSA-N 0 3 347.379 1.263 20 5 EDBDHN CCN1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3)C2)CC1 ZINC000352405189 162167768 /nfs/dbraw/zinc/16/77/68/162167768.db2.gz LMWAREAGXLZATN-INIZCTEOSA-N 0 3 348.447 1.815 20 5 EDBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159561341 225239119 /nfs/dbraw/zinc/23/91/19/225239119.db2.gz DLJCCELMIZMGNE-UHFFFAOYSA-N 0 3 335.339 1.661 20 5 EDBDHN COC(=O)c1cc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123700148 222319105 /nfs/dbraw/zinc/31/91/05/222319105.db2.gz GSHQGFJKQMHPEE-FZMZJTMJSA-N 0 3 349.387 1.936 20 5 EDBDHN Nc1c(C(=O)NCCCNCc2cccnc2)cccc1[N+](=O)[O-] ZINC000238061977 273014097 /nfs/dbraw/zinc/01/40/97/273014097.db2.gz BOCAISTVKAQFQJ-UHFFFAOYSA-N 0 3 329.360 1.482 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270874205 273023398 /nfs/dbraw/zinc/02/33/98/273023398.db2.gz BPCBGSBUJJOHRB-IUODEOHRSA-N 0 3 341.433 1.349 20 5 EDBDHN COCCO[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275508082 268353059 /nfs/dbraw/zinc/35/30/59/268353059.db2.gz HQZDTIJSAVDULG-KGLIPLIRSA-N 0 3 340.376 1.072 20 5 EDBDHN CCSCCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000275824796 268375288 /nfs/dbraw/zinc/37/52/88/268375288.db2.gz ROFAHQWFQPILEO-UHFFFAOYSA-N 0 3 333.435 1.216 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000273535440 273042344 /nfs/dbraw/zinc/04/23/44/273042344.db2.gz DBZGIQGSYSKWDW-FZMZJTMJSA-N 0 3 327.406 1.307 20 5 EDBDHN CS[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000273862120 273058185 /nfs/dbraw/zinc/05/81/85/273058185.db2.gz ONTDUQBXMNLZAX-VXGBXAGGSA-N 0 3 325.394 1.499 20 5 EDBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279547725 273306233 /nfs/dbraw/zinc/30/62/33/273306233.db2.gz XJWKMKSIGQWTMP-UHFFFAOYSA-N 0 3 328.344 1.014 20 5 EDBDHN C[C@H](O)C[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279761105 273324437 /nfs/dbraw/zinc/32/44/37/273324437.db2.gz MEUVLQPUYLSRGQ-SQWLQELKSA-N 0 3 338.404 1.960 20 5 EDBDHN Cn1nccc1[C@@H]1[C@H](NCCc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000346727616 274904893 /nfs/dbraw/zinc/90/48/93/274904893.db2.gz AHFNTRWDOLMZHW-PBHICJAKSA-N 0 3 343.387 1.432 20 5 EDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000286310921 287979503 /nfs/dbraw/zinc/97/95/03/287979503.db2.gz IPVPXBMQRCBFLT-KBPBESRZSA-N 0 3 348.403 1.502 20 5 EDBDHN O=[N+]([O-])c1ccccc1N1CCN(CCN2CCCOCC2)CC1 ZINC000361286261 280374760 /nfs/dbraw/zinc/37/47/60/280374760.db2.gz HIFUYMUSHGJLDD-UHFFFAOYSA-N 0 3 334.420 1.439 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCN(CCCO)C1 ZINC000294688341 303136391 /nfs/dbraw/zinc/13/63/91/303136391.db2.gz BPRFZMAWJQLVFY-OAHLLOKOSA-N 0 3 337.420 1.930 20 5 EDBDHN COC(=O)C1CCN(CCCNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296184278 303300782 /nfs/dbraw/zinc/30/07/82/303300782.db2.gz BCVPTYSECNVJIP-UHFFFAOYSA-N 0 3 337.380 1.380 20 5 EDBDHN CC[C@@H](C)N1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296254604 303305734 /nfs/dbraw/zinc/30/57/34/303305734.db2.gz XNODLKYSQOJHSE-CQSZACIVSA-N 0 3 346.431 1.900 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296417632 303315465 /nfs/dbraw/zinc/31/54/65/303315465.db2.gz VLGXHWQPJFSGIU-IUIKQTSFSA-N 0 3 349.387 1.945 20 5 EDBDHN COC(=O)Cc1ccc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000297248394 303377432 /nfs/dbraw/zinc/37/74/32/303377432.db2.gz VDNZHUAMDMNXGW-CQSZACIVSA-N 0 3 331.372 1.761 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CCN(C)C)c1 ZINC000429930423 305040534 /nfs/dbraw/zinc/04/05/34/305040534.db2.gz VEDFQKWZSHOGCH-OAHLLOKOSA-N 0 3 325.365 1.036 20 5 EDBDHN CCOC(=O)[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000451134250 305332077 /nfs/dbraw/zinc/33/20/77/305332077.db2.gz KPEIHLKPMCHUOY-HNNXBMFYSA-N 0 3 334.372 1.649 20 5 EDBDHN CC1(C)[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000451484390 305349295 /nfs/dbraw/zinc/34/92/95/305349295.db2.gz ZULLEMNRXZJGHT-CFVMTHIKSA-N 0 3 333.388 1.987 20 5 EDBDHN CN1CCNC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414970515 447378416 /nfs/dbraw/zinc/37/84/16/447378416.db2.gz UZIXWXVOZSMXIN-GFCCVEGCSA-N 0 3 330.335 1.189 20 5 EDBDHN CN([C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCC[C@H]1O ZINC000426218544 447400823 /nfs/dbraw/zinc/40/08/23/447400823.db2.gz UDTDCLOJDPJLPC-BZUAXINKSA-N 0 3 333.388 1.935 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCN1C ZINC000449939795 447416147 /nfs/dbraw/zinc/41/61/47/447416147.db2.gz KDJFDNBMVPDNEY-OCCSQVGLSA-N 0 3 343.387 1.993 20 5 EDBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N(C)C1CC1 ZINC000057715690 441131635 /nfs/dbraw/zinc/13/16/35/441131635.db2.gz APEFJRBTAYRRCE-SNVBAGLBSA-N 0 3 335.360 1.579 20 5 EDBDHN CCN(CC)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000048246181 441277718 /nfs/dbraw/zinc/27/77/18/441277718.db2.gz YSTKDNIAIMYJQM-AWEZNQCLSA-N 0 3 346.391 1.386 20 5 EDBDHN CN1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000081762502 441310190 /nfs/dbraw/zinc/31/01/90/441310190.db2.gz LDAYAZDFCIDKID-UHFFFAOYSA-N 0 3 327.768 1.435 20 5 EDBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000084935756 441425846 /nfs/dbraw/zinc/42/58/46/441425846.db2.gz BVEMRWZLCCIPNW-UHFFFAOYSA-N 0 3 329.422 1.913 20 5 EDBDHN CCN1CCC(NC(=O)CN2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088607417 441514931 /nfs/dbraw/zinc/51/49/31/441514931.db2.gz CQWLZISDRYDECN-UHFFFAOYSA-N 0 3 346.431 1.553 20 5 EDBDHN CN(C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cn2)c1 ZINC000066816349 441570861 /nfs/dbraw/zinc/57/08/61/441570861.db2.gz CATILBBRPVYYTE-UHFFFAOYSA-N 0 3 343.387 1.893 20 5 EDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCC1 ZINC000067150664 441610993 /nfs/dbraw/zinc/61/09/93/441610993.db2.gz KAWVGAAXRDHIDO-NSHDSACASA-N 0 3 335.360 1.580 20 5 EDBDHN C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000055265064 441635326 /nfs/dbraw/zinc/63/53/26/441635326.db2.gz JVPVGGIMESXHEJ-LLVKDONJSA-N 0 3 345.396 1.744 20 5 EDBDHN Cc1cccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000114141027 441637083 /nfs/dbraw/zinc/63/70/83/441637083.db2.gz VGJRHJZVJBPOIK-CYBMUJFWSA-N 0 3 334.420 1.517 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000041442665 441654690 /nfs/dbraw/zinc/65/46/90/441654690.db2.gz NRFUTDAHOMDXIL-UHFFFAOYSA-N 0 3 335.408 1.056 20 5 EDBDHN COCCN(C)CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000042073356 441701601 /nfs/dbraw/zinc/70/16/01/441701601.db2.gz MJTUGFBAWVLXOL-UHFFFAOYSA-N 0 3 329.784 1.946 20 5 EDBDHN CCc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N(C)C)cc1 ZINC000158956793 441776786 /nfs/dbraw/zinc/77/67/86/441776786.db2.gz SSYKQJAJNZYUCF-CYBMUJFWSA-N 0 3 331.376 1.913 20 5 EDBDHN CCc1ccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N(C)C)cc1 ZINC000158956793 441776794 /nfs/dbraw/zinc/77/67/94/441776794.db2.gz SSYKQJAJNZYUCF-CYBMUJFWSA-N 0 3 331.376 1.913 20 5 EDBDHN C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000173713239 441828299 /nfs/dbraw/zinc/82/82/99/441828299.db2.gz YWDNNEUYKDWQCH-AWEZNQCLSA-N 0 3 349.435 1.278 20 5 EDBDHN Cc1cnc(NCCCCN2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000078663664 441960443 /nfs/dbraw/zinc/96/04/43/441960443.db2.gz DXDYYBSXQZESIW-UHFFFAOYSA-N 0 3 337.424 1.100 20 5 EDBDHN [NH3+][C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125108318 441985283 /nfs/dbraw/zinc/98/52/83/441985283.db2.gz XTJJDFKXPCEQSD-DTWKUNHWSA-N 0 3 333.797 1.796 20 5 EDBDHN COCCCN(C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175738634 442114275 /nfs/dbraw/zinc/11/42/75/442114275.db2.gz YKNKRMIRAXVRGD-ZDUSSCGKSA-N 0 3 338.408 1.923 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC3CCCC3)C2)n1 ZINC000191643025 442481218 /nfs/dbraw/zinc/48/12/18/442481218.db2.gz BFJYUNDAMSOWGZ-ZDUSSCGKSA-N 0 3 335.408 1.806 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173237825 442629709 /nfs/dbraw/zinc/62/97/09/442629709.db2.gz VSLCCXIRZASYBI-RISCZKNCSA-N 0 3 327.406 1.556 20 5 EDBDHN COC[C@](C)(CCO)NCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000267941490 442794620 /nfs/dbraw/zinc/79/46/20/442794620.db2.gz OFHNCJASERMAQN-HNNXBMFYSA-N 0 3 328.365 1.359 20 5 EDBDHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246750677 442809989 /nfs/dbraw/zinc/80/99/89/442809989.db2.gz PHZGNNRCTUQMLS-CABCVRRESA-N 0 3 348.407 1.340 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000265530088 442811088 /nfs/dbraw/zinc/81/10/88/442811088.db2.gz VNGPXOAHATXREV-UHFFFAOYSA-N 0 3 346.387 1.653 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CN1C1CC1 ZINC000268040695 442826821 /nfs/dbraw/zinc/82/68/21/442826821.db2.gz XYIVZYCXSAIJHW-GHMZBOCLSA-N 0 3 337.351 1.854 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000268124161 442857965 /nfs/dbraw/zinc/85/79/65/442857965.db2.gz AKFTUQDKYVLLLO-SMDDNHRTSA-N 0 3 334.376 1.250 20 5 EDBDHN COc1ccc(CNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268143696 442867551 /nfs/dbraw/zinc/86/75/51/442867551.db2.gz RTFCLHRKHSVHNL-FZMZJTMJSA-N 0 3 348.403 1.885 20 5 EDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000194492378 442906466 /nfs/dbraw/zinc/90/64/66/442906466.db2.gz AGGNRMQXVPJWSS-CQSZACIVSA-N 0 3 331.376 1.080 20 5 EDBDHN COc1cc(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000268299891 442937538 /nfs/dbraw/zinc/93/75/38/442937538.db2.gz XXHRNGYNJUIAHZ-GXFFZTMASA-N 0 3 343.405 1.174 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249188901 442958788 /nfs/dbraw/zinc/95/87/88/442958788.db2.gz OUJIXROEIAPZCU-TZMCWYRMSA-N 0 3 348.403 1.640 20 5 EDBDHN COCCO[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000189676508 442992458 /nfs/dbraw/zinc/99/24/58/442992458.db2.gz NIMIJSCSLIFARR-OAHLLOKOSA-N 0 3 337.376 1.661 20 5 EDBDHN CC(C)N(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000185160720 443150833 /nfs/dbraw/zinc/15/08/33/443150833.db2.gz WQZAVQWLUCURMI-UHFFFAOYSA-N 0 3 326.328 1.258 20 5 EDBDHN CCc1[nH]nc(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)c1[N+](=O)[O-] ZINC000351302512 319099976 /nfs/dbraw/zinc/09/99/76/319099976.db2.gz UOBMRUJFKDPHCY-UWVGGRQHSA-N 0 3 345.363 1.786 20 5 EDBDHN CCc1[n-]nc(-c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)c1[N+](=O)[O-] ZINC000351302512 319099978 /nfs/dbraw/zinc/09/99/78/319099978.db2.gz UOBMRUJFKDPHCY-UWVGGRQHSA-N 0 3 345.363 1.786 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]CCC[NH2+]C(C)C)c([N+](=O)[O-])c1 ZINC000386170591 319129219 /nfs/dbraw/zinc/12/92/19/319129219.db2.gz DGNIEDZCSBQHSG-UHFFFAOYSA-N 0 3 331.394 1.270 20 5 EDBDHN CCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000412879512 319247327 /nfs/dbraw/zinc/24/73/27/319247327.db2.gz PHYVQANVIQWEGI-CYBMUJFWSA-N 0 3 329.360 1.605 20 5 EDBDHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185987861 443294468 /nfs/dbraw/zinc/29/44/68/443294468.db2.gz UQQHHODJJLPWSI-CQSZACIVSA-N 0 3 341.433 1.994 20 5 EDBDHN CN1CCC(O)(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000267079820 443334794 /nfs/dbraw/zinc/33/47/94/443334794.db2.gz JAGZZPCFVGBHGC-UHFFFAOYSA-N 0 3 332.360 1.263 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278461967 443339514 /nfs/dbraw/zinc/33/95/14/443339514.db2.gz MRAKQVBBTDAAQV-GFCCVEGCSA-N 0 3 332.408 1.909 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000269573269 443351914 /nfs/dbraw/zinc/35/19/14/443351914.db2.gz IUMVHXZNTHCLKS-ZDUSSCGKSA-N 0 3 346.387 1.653 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000449415961 320189604 /nfs/dbraw/zinc/18/96/04/320189604.db2.gz QPNZXOHDXWVKBL-CQSZACIVSA-N 0 3 338.360 1.804 20 5 EDBDHN COc1nccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453262506 320261298 /nfs/dbraw/zinc/26/12/98/320261298.db2.gz SRBOPKARBUKZSH-STQMWFEESA-N 0 3 332.364 1.863 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000453627777 320264966 /nfs/dbraw/zinc/26/49/66/320264966.db2.gz IGRURJDEAAFKIT-DGCLKSJQSA-N 0 3 338.360 1.804 20 5 EDBDHN COC(=O)c1cnc(N2C[C@@H](N(C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000276729342 443805769 /nfs/dbraw/zinc/80/57/69/443805769.db2.gz LDTLMXMYZHYAQO-NEPJUHHUSA-N 0 3 340.405 1.258 20 5 EDBDHN COC(=O)c1cc(NC(=O)N(C)CCN(C)C)c(C)c([N+](=O)[O-])c1 ZINC000277234491 443944944 /nfs/dbraw/zinc/94/49/44/443944944.db2.gz ONWROTQNCZSVOQ-UHFFFAOYSA-N 0 3 338.364 1.715 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000299305629 444011831 /nfs/dbraw/zinc/01/18/31/444011831.db2.gz DEJSNTOXMOTWOW-CYBMUJFWSA-N 0 3 334.420 1.517 20 5 EDBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000288961372 444022430 /nfs/dbraw/zinc/02/24/30/444022430.db2.gz PQNQQBLMYJVUBQ-GFCCVEGCSA-N 0 3 331.376 1.579 20 5 EDBDHN Cc1[nH]nc(C(=O)[N-]c2ncc(C3CC[NH2+]CC3)s2)c1[N+](=O)[O-] ZINC000564932750 321158652 /nfs/dbraw/zinc/15/86/52/321158652.db2.gz FMJOQQMKKYINHG-UHFFFAOYSA-N 0 3 336.377 1.802 20 5 EDBDHN CN1CCC[C@H](CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000565805751 321201203 /nfs/dbraw/zinc/20/12/03/321201203.db2.gz AUIYQZXPQHTNIR-CYBMUJFWSA-N 0 3 348.403 1.841 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cccc(CO)c1 ZINC000569095857 321318733 /nfs/dbraw/zinc/31/87/33/321318733.db2.gz ZPHACVUTZJPXPH-HNNXBMFYSA-N 0 3 332.356 1.617 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000294693516 444137172 /nfs/dbraw/zinc/13/71/72/444137172.db2.gz QLXQUQAGSUBBFH-KGMNCQPJSA-N 0 3 333.388 1.522 20 5 EDBDHN Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000301258292 444158695 /nfs/dbraw/zinc/15/86/95/444158695.db2.gz OBBXXWVLDAFLAY-LBPRGKRZSA-N 0 3 338.364 1.834 20 5 EDBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCO[C@@H](CN(C)C)C1 ZINC000297094151 444273329 /nfs/dbraw/zinc/27/33/29/444273329.db2.gz KSVCJTDHMIXCCT-ZDUSSCGKSA-N 0 3 346.387 1.918 20 5 EDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](CO)CN1CCCCC1 ZINC000296361435 444223413 /nfs/dbraw/zinc/22/34/13/444223413.db2.gz OOCCKKKDLXIADA-NSHDSACASA-N 0 3 340.355 1.702 20 5 EDBDHN C[C@]1(C[C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000289985370 444226973 /nfs/dbraw/zinc/22/69/73/444226973.db2.gz ZYBBTGRRRNZLEK-CZUORRHYSA-N 0 3 332.360 1.547 20 5 EDBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCCN(CCO)CC1 ZINC000297104263 444274751 /nfs/dbraw/zinc/27/47/51/444274751.db2.gz LJWQFVCIZUIMDW-UHFFFAOYSA-N 0 3 346.387 1.656 20 5 EDBDHN CN(C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000290534871 444292744 /nfs/dbraw/zinc/29/27/44/444292744.db2.gz OMWXXABGHISZTG-CYBMUJFWSA-N 0 3 347.350 1.943 20 5 EDBDHN CC1(C)[C@H](C(F)(F)F)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330997599 444352732 /nfs/dbraw/zinc/35/27/32/444352732.db2.gz VEOMLXSEXPUJDR-GHMZBOCLSA-N 0 3 336.314 1.815 20 5 EDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000325824595 444369468 /nfs/dbraw/zinc/36/94/68/444369468.db2.gz NMVQZMTXEACMEE-ZIAGYGMSSA-N 0 3 336.348 1.456 20 5 EDBDHN COc1cc(C(=O)N(C)C2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000298150089 444430368 /nfs/dbraw/zinc/43/03/68/444430368.db2.gz VCBCWWYGGMVZJA-UHFFFAOYSA-N 0 3 337.376 1.778 20 5 EDBDHN CN1CCO[C@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000342150905 444535746 /nfs/dbraw/zinc/53/57/46/444535746.db2.gz JMAFNTJEPNCJRZ-HOTGVXAUSA-N 0 3 348.403 1.328 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000340878582 444555238 /nfs/dbraw/zinc/55/52/38/444555238.db2.gz JBDANTBNJVTVPK-CABZTGNLSA-N 0 3 347.824 1.819 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000340995780 444621373 /nfs/dbraw/zinc/62/13/73/444621373.db2.gz RYEQRMWQJADIRC-OCCSQVGLSA-N 0 3 335.408 1.789 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N(C)C1 ZINC000343873189 444639444 /nfs/dbraw/zinc/63/94/44/444639444.db2.gz HIZJYRRJZHNFTK-KGLIPLIRSA-N 0 3 347.375 1.800 20 5 EDBDHN CC1(C)NC(=O)CC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000338595643 444764627 /nfs/dbraw/zinc/76/46/27/444764627.db2.gz ACYKOXPYBUWXLN-ZIAGYGMSSA-N 0 3 346.387 1.347 20 5 EDBDHN C[C@@H](N[C@@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338597362 444766891 /nfs/dbraw/zinc/76/68/91/444766891.db2.gz LKOGWXRRFNPDTD-ZWNOBZJWSA-N 0 3 334.376 1.569 20 5 EDBDHN C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N1CCC[C@H](C)C1 ZINC000338671237 444801867 /nfs/dbraw/zinc/80/18/67/444801867.db2.gz BRFYSAUNASLNOH-QWHCGFSZSA-N 0 3 337.424 1.763 20 5 EDBDHN CS(=O)(=O)NC[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000337294637 445020147 /nfs/dbraw/zinc/02/01/47/445020147.db2.gz NLYYDEJVGMRGPB-BXUZGUMPSA-N 0 3 345.396 1.541 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NCC2=CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000343288850 445182125 /nfs/dbraw/zinc/18/21/25/445182125.db2.gz ALWPRBVNBDVZKP-UHFFFAOYSA-N 0 3 347.371 1.763 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@H](O)CN3CCCCC3)c21 ZINC000347415285 445237937 /nfs/dbraw/zinc/23/79/37/445237937.db2.gz VTBWHFNDQDUOCK-LBPRGKRZSA-N 0 3 331.376 1.797 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343624864 445268163 /nfs/dbraw/zinc/26/81/63/445268163.db2.gz MTVAEBUATOWVFS-RISCZKNCSA-N 0 3 336.392 1.885 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343624865 445268373 /nfs/dbraw/zinc/26/83/73/445268373.db2.gz MTVAEBUATOWVFS-SMDDNHRTSA-N 0 3 336.392 1.885 20 5 EDBDHN Cc1nc(NC2CCN(CCC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000348356096 445265803 /nfs/dbraw/zinc/26/58/03/445265803.db2.gz WGCDJRUGMDMDFI-UHFFFAOYSA-N 0 3 335.408 1.653 20 5 EDBDHN COc1ccc(CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343644879 445279167 /nfs/dbraw/zinc/27/91/67/445279167.db2.gz BHZZOQADOJJDKG-WCQYABFASA-N 0 3 336.392 1.885 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000352128268 445511078 /nfs/dbraw/zinc/51/10/78/445511078.db2.gz BXCSJLGVVOEQGX-KRWDZBQOSA-N 0 3 346.387 1.576 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000359988921 445517091 /nfs/dbraw/zinc/51/70/91/445517091.db2.gz ZCNNYERHFWSIPW-QWHCGFSZSA-N 0 3 339.417 1.570 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000356138878 445641929 /nfs/dbraw/zinc/64/19/29/445641929.db2.gz DRUCAUMBXOFQPW-OAHLLOKOSA-N 0 3 343.387 1.895 20 5 EDBDHN CN(C)C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(F)cc1 ZINC000360209713 445630546 /nfs/dbraw/zinc/63/05/46/445630546.db2.gz RJOYJWVSWOUHBX-GFCCVEGCSA-N 0 3 335.339 1.500 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCCN1C ZINC000357944218 445595190 /nfs/dbraw/zinc/59/51/90/445595190.db2.gz UQGUHAUXIYMGNR-WFASDCNBSA-N 0 3 348.403 1.982 20 5 EDBDHN CCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000360264062 445664805 /nfs/dbraw/zinc/66/48/05/445664805.db2.gz DTIZYPUXGDGLMV-UHFFFAOYSA-N 0 3 329.422 1.913 20 5 EDBDHN C[C@H](CO)N1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000364958016 445970391 /nfs/dbraw/zinc/97/03/91/445970391.db2.gz YJXRWFGMVBWAFL-GFCCVEGCSA-N 0 3 348.403 1.372 20 5 EDBDHN COC(=O)c1cnc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000365057817 445998739 /nfs/dbraw/zinc/99/87/39/445998739.db2.gz BPXBKTXTVRQWDS-RYUDHWBXSA-N 0 3 336.348 1.052 20 5 EDBDHN CCN(CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000351504390 446110336 /nfs/dbraw/zinc/11/03/36/446110336.db2.gz VZLWNQWNQMBUAC-UHFFFAOYSA-N 0 3 338.339 1.273 20 5 EDBDHN COc1ccc(OCCN(C)[C@]2(CO)CCOC2)c([N+](=O)[O-])c1 ZINC000359577108 446301056 /nfs/dbraw/zinc/30/10/56/446301056.db2.gz GHYLISCGKDMXMU-HNNXBMFYSA-N 0 3 326.349 1.065 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000374071183 446350432 /nfs/dbraw/zinc/35/04/32/446350432.db2.gz YCLQEYNJULMRSU-IIAWOOMASA-N 0 3 336.388 1.835 20 5 EDBDHN Cc1nnc([C@H]2CC23CCN(CCn2ccc([N+](=O)[O-])n2)CC3)o1 ZINC000365840296 446365563 /nfs/dbraw/zinc/36/55/63/446365563.db2.gz MJYJFZBYISUCAI-GFCCVEGCSA-N 0 3 332.364 1.752 20 5 EDBDHN C[C@@H]1CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000420245404 446428474 /nfs/dbraw/zinc/42/84/74/446428474.db2.gz ZRVODTXDOCELPC-OLZOCXBDSA-N 0 3 348.403 1.254 20 5 EDBDHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420439208 446614825 /nfs/dbraw/zinc/61/48/25/446614825.db2.gz MILPDDPWRFTOOP-RNFRBKRXSA-N 0 3 341.311 1.628 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC000411547521 446597147 /nfs/dbraw/zinc/59/71/47/446597147.db2.gz DBSJDWQNEIAFES-LBPRGKRZSA-N 0 3 336.392 1.687 20 5 EDBDHN CN1CC[C@@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000375239604 446663402 /nfs/dbraw/zinc/66/34/02/446663402.db2.gz NOOJYIXNMADGEL-PBHICJAKSA-N 0 3 344.415 1.510 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC[NH2+]C2)c1C ZINC000420451907 446627149 /nfs/dbraw/zinc/62/71/49/446627149.db2.gz RISTXRHNCMRMQW-GFCCVEGCSA-N 0 3 327.406 1.632 20 5 EDBDHN CCCC[C@@H](CN)NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418778943 446697023 /nfs/dbraw/zinc/69/70/23/446697023.db2.gz JIOHBKWEAXQEKX-AAEUAGOBSA-N 0 3 336.392 1.406 20 5 EDBDHN CCc1n[n-]c(C(=O)NCc2[nH+]c(C)n3c2CCCC3)c1[N+](=O)[O-] ZINC000371276678 446735698 /nfs/dbraw/zinc/73/56/98/446735698.db2.gz YQQLCXLMBXUGTR-UHFFFAOYSA-N 0 3 332.364 1.652 20 5 EDBDHN O=C1[C@H](N2C[C@@H]3CC[C@H](O)C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000412031491 446792474 /nfs/dbraw/zinc/79/24/74/446792474.db2.gz ATOSAHQUFSEMCL-MGBSGCIJSA-N 0 3 345.399 1.793 20 5 EDBDHN C[C@@H]1[C@H](CO)CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000412067535 446829521 /nfs/dbraw/zinc/82/95/21/446829521.db2.gz DTXSBARSWLRTPT-OLZOCXBDSA-N 0 3 349.387 1.986 20 5 EDBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2cccnc21 ZINC000375570321 446897702 /nfs/dbraw/zinc/89/77/02/446897702.db2.gz YHZWOIAHOXRPOC-GJZGRUSLSA-N 0 3 331.376 1.557 20 5 EDBDHN CN1CC[C@@H](Cn2nnnc2Sc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413191412 447059467 /nfs/dbraw/zinc/05/94/67/447059467.db2.gz GXCKHPIAALIRFH-MRVPVSSYSA-N 0 3 339.356 1.218 20 5 EDBDHN C[C@@H](CO)N1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444698216 447123720 /nfs/dbraw/zinc/12/37/20/447123720.db2.gz COCYUNKNUVAULS-LBPRGKRZSA-N 0 3 333.392 1.360 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCSC[C@H]2C2CCC2)c1 ZINC000419362693 447125789 /nfs/dbraw/zinc/12/57/89/447125789.db2.gz OFYPAUZFQFJVFB-KGLIPLIRSA-N 0 3 326.422 1.370 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000445781628 447193955 /nfs/dbraw/zinc/19/39/55/447193955.db2.gz LBQKGBFJWVCSKC-VXGBXAGGSA-N 0 3 334.376 1.475 20 5 EDBDHN CNc1nc(C(=O)NC2CC(N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000456022762 447286985 /nfs/dbraw/zinc/28/69/85/447286985.db2.gz IUDPLXMLELKUAI-UHFFFAOYSA-N 0 3 333.392 1.778 20 5 EDBDHN CCOc1cc(CN2CCCN([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000372807017 447294555 /nfs/dbraw/zinc/29/45/55/447294555.db2.gz QSAWWTFGEFJSDR-AWEZNQCLSA-N 0 3 337.420 1.882 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457203881 447540211 /nfs/dbraw/zinc/54/02/11/447540211.db2.gz IZNGCXIZPOGPSN-UHFFFAOYSA-N 0 3 332.360 1.919 20 5 EDBDHN Cc1c(C(=O)NC(C)(C)CN(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457209690 447543533 /nfs/dbraw/zinc/54/35/33/447543533.db2.gz ORCQGEKLAULXPB-UHFFFAOYSA-N 0 3 346.391 1.554 20 5 EDBDHN O=[N+]([O-])c1ccc(NCCN2CCC(O)CC2)nc1-c1ccccc1 ZINC000450869725 447600317 /nfs/dbraw/zinc/60/03/17/447600317.db2.gz OKKDMPCTFRGCRK-UHFFFAOYSA-N 0 3 342.399 2.525 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@](O)(CO)C3)o2)c1 ZINC000459634616 447727530 /nfs/dbraw/zinc/72/75/30/447727530.db2.gz OOJPUHMQNFGSBE-QGZVFWFLSA-N 0 3 347.371 1.612 20 5 EDBDHN Cc1c(NC(=O)CCN2CCC[C@@](O)(CO)C2)cccc1[N+](=O)[O-] ZINC000459653265 447732281 /nfs/dbraw/zinc/73/22/81/447732281.db2.gz XQTDFCBLTWWBES-INIZCTEOSA-N 0 3 337.376 1.051 20 5 EDBDHN Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000458223438 447748141 /nfs/dbraw/zinc/74/81/41/447748141.db2.gz WIWAIIZBARTCQJ-UHFFFAOYSA-N 0 3 333.348 1.819 20 5 EDBDHN CN(C)C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000486948395 447826821 /nfs/dbraw/zinc/82/68/21/447826821.db2.gz FPKPLAIVOLMGSN-CYBMUJFWSA-N 0 3 333.348 1.412 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000569902834 447911594 /nfs/dbraw/zinc/91/15/94/447911594.db2.gz DJILGTMSKOXJNS-JTQLQIEISA-N 0 3 327.331 1.874 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000524720817 447942938 /nfs/dbraw/zinc/94/29/38/447942938.db2.gz AVSXNEAAHBSBPR-CYBMUJFWSA-N 0 3 343.387 1.852 20 5 EDBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H](N2CCCC2)C1 ZINC000524040588 447914351 /nfs/dbraw/zinc/91/43/51/447914351.db2.gz KJJLJHNDKMGWFV-NSHDSACASA-N 0 3 333.344 1.634 20 5 EDBDHN O=C(NCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cnccn1 ZINC000576886366 448163010 /nfs/dbraw/zinc/16/30/10/448163010.db2.gz JZNKWTKXXKXMPS-CYBMUJFWSA-N 0 3 327.344 1.392 20 5 EDBDHN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccncc1 ZINC000571691468 448192446 /nfs/dbraw/zinc/19/24/46/448192446.db2.gz XIRZYFVZZKJWPN-UHFFFAOYSA-N 0 3 332.364 1.307 20 5 EDBDHN Cc1cc(NCCNc2ccn(C)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000564652844 448335043 /nfs/dbraw/zinc/33/50/43/448335043.db2.gz NVNKRSQRFHDXHX-UHFFFAOYSA-N 0 3 326.360 2.131 20 5 EDBDHN C[C@@H]1C[C@H]1N1C[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000577741610 448375240 /nfs/dbraw/zinc/37/52/40/448375240.db2.gz RXBDEJFFOFQYOP-LALPHHSUSA-N 0 3 346.387 1.522 20 5 EDBDHN Cc1cccc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000578007515 448438554 /nfs/dbraw/zinc/43/85/54/448438554.db2.gz UAHSLCMGPWUJMA-UHFFFAOYSA-N 0 3 349.412 1.904 20 5 EDBDHN CCC(CC)(CO)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592431593 448834143 /nfs/dbraw/zinc/83/41/43/448834143.db2.gz LTBCOHKHFBPURF-UHFFFAOYSA-N 0 3 344.433 1.757 20 5 EDBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CNCCC1(F)F ZINC000592558172 448899995 /nfs/dbraw/zinc/89/99/95/448899995.db2.gz KRYIGPORTPISPI-SECBINFHSA-N 0 3 325.275 1.654 20 5 EDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)CC1 ZINC000574808941 448960894 /nfs/dbraw/zinc/96/08/94/448960894.db2.gz VAWHFSOLDVHYEH-AWEZNQCLSA-N 0 3 349.435 1.174 20 5 EDBDHN CCN1CCN(CCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000574714902 448939674 /nfs/dbraw/zinc/93/96/74/448939674.db2.gz QHCSWLQQAQWQTE-AWEZNQCLSA-N 0 3 334.420 1.452 20 5 EDBDHN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)CC ZINC000582122511 449018386 /nfs/dbraw/zinc/01/83/86/449018386.db2.gz QNTOYQSEFFVVQV-KGLIPLIRSA-N 0 3 330.406 1.508 20 5 EDBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593573888 449082264 /nfs/dbraw/zinc/08/22/64/449082264.db2.gz VJJKWDTZEGRFFP-LLVKDONJSA-N 0 3 342.421 1.341 20 5 EDBDHN CCCN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000522208004 449063496 /nfs/dbraw/zinc/06/34/96/449063496.db2.gz CPEZPQZKPWELPA-OAHLLOKOSA-N 0 3 347.419 1.513 20 5 EDBDHN Cc1c(NC(=O)CCN(C)C[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000595735248 449137635 /nfs/dbraw/zinc/13/76/35/449137635.db2.gz FVMWDANGPFQVNK-ZDUSSCGKSA-N 0 3 337.376 1.579 20 5 EDBDHN C[C@H](O)[C@H]1CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595766152 449155241 /nfs/dbraw/zinc/15/52/41/449155241.db2.gz MKUBLYYFFFLPKG-WCQYABFASA-N 0 3 335.360 1.738 20 5 EDBDHN COC(=O)c1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590442602 449164878 /nfs/dbraw/zinc/16/48/78/449164878.db2.gz GHEPYOJEOPBYAX-YGRLFVJLSA-N 0 3 333.344 1.158 20 5 EDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000600007537 449146336 /nfs/dbraw/zinc/14/63/36/449146336.db2.gz BPORQKLQWYKINV-UHFFFAOYSA-N 0 3 348.403 1.504 20 5 EDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(N2CCCOCC2)CC1 ZINC000600006803 449146689 /nfs/dbraw/zinc/14/66/89/449146689.db2.gz ICRQZRDPVINFMB-UHFFFAOYSA-N 0 3 347.415 1.851 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000590592008 449208752 /nfs/dbraw/zinc/20/87/52/449208752.db2.gz YRJVNHHLGAQZBP-LLVKDONJSA-N 0 3 345.396 1.757 20 5 EDBDHN O=[N+]([O-])c1ccc2ncnc(N[C@H]3CCCN(CCCO)C3)c2c1 ZINC000590708740 449255560 /nfs/dbraw/zinc/25/55/60/449255560.db2.gz IQCDSTODEVVDIC-LBPRGKRZSA-N 0 3 331.376 1.797 20 5 EDBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598062854 449224694 /nfs/dbraw/zinc/22/46/94/449224694.db2.gz XTNOEQUISYBCSW-UHFFFAOYSA-N 0 3 343.387 1.960 20 5 EDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000593996465 449316735 /nfs/dbraw/zinc/31/67/35/449316735.db2.gz ODWTUGJYISCQKN-MRXNPFEDSA-N 0 3 335.404 1.770 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(N3CCC[C@H]3C(N)=O)CC2)n1 ZINC000611617400 449360289 /nfs/dbraw/zinc/36/02/89/449360289.db2.gz NEPSRRNYCFQBSO-AWEZNQCLSA-N 0 3 347.419 1.525 20 5 EDBDHN Cn1cc(CNC[C@@H]2CCCNC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590971933 449364485 /nfs/dbraw/zinc/36/44/85/449364485.db2.gz XNDZYNMLPHATEL-ZDUSSCGKSA-N 0 3 343.387 1.611 20 5 EDBDHN Cc1nn(CCC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000594199443 449388460 /nfs/dbraw/zinc/38/84/60/449388460.db2.gz ZPPGJTJYUOGCGQ-CABCVRRESA-N 0 3 349.435 1.931 20 5 EDBDHN CC(C)CC[C@@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600754162 449535304 /nfs/dbraw/zinc/53/53/04/449535304.db2.gz MBUZEJCJGNOUEW-ZDUSSCGKSA-N 0 3 344.433 1.755 20 5 EDBDHN CCCN1CC[C@@H](Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])C1 ZINC000596515994 449536759 /nfs/dbraw/zinc/53/67/59/449536759.db2.gz BKAHAGAZLRMVOZ-LLVKDONJSA-N 0 3 342.421 1.399 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601113356 449697326 /nfs/dbraw/zinc/69/73/26/449697326.db2.gz DZYMKBKVPSJYET-UHFFFAOYSA-N 0 3 339.371 1.119 20 5 EDBDHN CC(C)(C)[N@@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000594792502 449701637 /nfs/dbraw/zinc/70/16/37/449701637.db2.gz RUCDZCITWUALBM-NSHDSACASA-N 0 3 342.421 1.389 20 5 EDBDHN CC(C)(C)[N@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000594792502 449701653 /nfs/dbraw/zinc/70/16/53/449701653.db2.gz RUCDZCITWUALBM-NSHDSACASA-N 0 3 342.421 1.389 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000601149561 449718291 /nfs/dbraw/zinc/71/82/91/449718291.db2.gz MXHSFXRWJNWKNY-DMDPSCGWSA-N 0 3 338.360 1.802 20 5 EDBDHN Cc1cc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c([N+](=O)[O-])s1 ZINC000601337701 449845910 /nfs/dbraw/zinc/84/59/10/449845910.db2.gz CYUOGIRJGBQWIE-JTQLQIEISA-N 0 3 333.435 1.537 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCN1CCN(C)CC1 ZINC000595005050 449839708 /nfs/dbraw/zinc/83/97/08/449839708.db2.gz WFQKNWDXMJDOFC-CQSZACIVSA-N 0 3 336.436 1.892 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)N1CCN(C)CC1 ZINC000595014528 449841963 /nfs/dbraw/zinc/84/19/63/449841963.db2.gz WLWLPZHKEKTLLB-ZIAGYGMSSA-N 0 3 336.436 1.890 20 5 EDBDHN CCc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595123304 449883355 /nfs/dbraw/zinc/88/33/55/449883355.db2.gz UCKSBXMSJKUEBK-VXGBXAGGSA-N 0 3 331.369 1.217 20 5 EDBDHN Cc1cc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)c(F)cc1[N+](=O)[O-] ZINC000601340273 449849931 /nfs/dbraw/zinc/84/99/31/449849931.db2.gz OCWVQRCLWWOGAP-NSHDSACASA-N 0 3 345.396 1.662 20 5 EDBDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595192517 449935217 /nfs/dbraw/zinc/93/52/17/449935217.db2.gz JPCOMJVUDSDVAG-ZDUSSCGKSA-N 0 3 334.376 1.442 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)cc1C ZINC000601421339 449938644 /nfs/dbraw/zinc/93/86/44/449938644.db2.gz FFJQIZQDUVXIHT-OLZOCXBDSA-N 0 3 341.433 1.925 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(N2CCOCC2)CC1 ZINC000599475061 450005176 /nfs/dbraw/zinc/00/51/76/450005176.db2.gz ZQKMPCAKJFJOQC-UHFFFAOYSA-N 0 3 335.404 1.770 20 5 EDBDHN C[C@@H]1CCN(C)CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609602888 450065098 /nfs/dbraw/zinc/06/50/98/450065098.db2.gz QKQCALVACJAPBT-CYBMUJFWSA-N 0 3 336.392 1.709 20 5 EDBDHN CN1CCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000601549459 450067177 /nfs/dbraw/zinc/06/71/77/450067177.db2.gz GUUGULSTCDGGTD-UHFFFAOYSA-N 0 3 338.383 1.490 20 5 EDBDHN CN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000609557331 450051689 /nfs/dbraw/zinc/05/16/89/450051689.db2.gz XKXFHUJBHAJQQA-HNNXBMFYSA-N 0 3 348.403 1.852 20 5 EDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599626716 450113110 /nfs/dbraw/zinc/11/31/10/450113110.db2.gz ZCIJBLFFMNFWCV-PXDYOCJYSA-N 0 3 333.388 1.885 20 5 EDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000610264737 450175007 /nfs/dbraw/zinc/17/50/07/450175007.db2.gz OVENQPIERPGETO-GFCCVEGCSA-N 0 3 340.405 1.096 20 5 EDBDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000154697104 533896934 /nfs/dbraw/zinc/89/69/34/533896934.db2.gz WCIKKQYHRKIHTC-TZMCWYRMSA-N 0 3 341.433 1.839 20 5 EDBDHN CCN(CCO)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000183967683 528547658 /nfs/dbraw/zinc/54/76/58/528547658.db2.gz MNABZDUZMVEERT-UHFFFAOYSA-N 0 3 349.309 1.658 20 5 EDBDHN CC[C@H](O)[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248447345 535997129 /nfs/dbraw/zinc/99/71/29/535997129.db2.gz HHAGNPLTBNRXLX-YCPHGPKFSA-N 0 3 338.404 1.960 20 5 EDBDHN CN(C)C1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000331305475 536113738 /nfs/dbraw/zinc/11/37/38/536113738.db2.gz YWIGPLWQCQUPOD-UHFFFAOYSA-N 0 3 341.433 1.889 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000353242161 536476564 /nfs/dbraw/zinc/47/65/64/536476564.db2.gz YCOBSBDVQNAQMR-INIZCTEOSA-N 0 3 338.360 1.805 20 5 EDBDHN CN(C)C[C@@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCO1 ZINC000742151566 579436715 /nfs/dbraw/zinc/43/67/15/579436715.db2.gz JSLUNOMIQXCWEX-CQSZACIVSA-N 0 3 346.391 1.073 20 5 EDBDHN Cc1[n-]nc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000732135875 578693030 /nfs/dbraw/zinc/69/30/30/578693030.db2.gz XGSPACDAQXMGBX-UHFFFAOYSA-N 0 3 347.375 1.843 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000733167964 578745676 /nfs/dbraw/zinc/74/56/76/578745676.db2.gz BFTWQESIIOUEAM-CQSZACIVSA-N 0 3 348.403 1.255 20 5 EDBDHN CC(C)[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735889011 578936354 /nfs/dbraw/zinc/93/63/54/578936354.db2.gz VDVNDCSPBMCQSC-SNVBAGLBSA-N 0 3 332.368 1.137 20 5 EDBDHN CC(C)[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735889011 578936355 /nfs/dbraw/zinc/93/63/55/578936355.db2.gz VDVNDCSPBMCQSC-SNVBAGLBSA-N 0 3 332.368 1.137 20 5 EDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C[NH+]1CCCC1 ZINC000736027059 578947881 /nfs/dbraw/zinc/94/78/81/578947881.db2.gz WLMCZOYFYQRZFU-SNVBAGLBSA-N 0 3 332.368 1.314 20 5 EDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C[NH+]1CCCC1 ZINC000736027059 578947882 /nfs/dbraw/zinc/94/78/82/578947882.db2.gz WLMCZOYFYQRZFU-SNVBAGLBSA-N 0 3 332.368 1.314 20 5 EDBDHN CN(C)CCN(CCc1ccccc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000751233055 579798166 /nfs/dbraw/zinc/79/81/66/579798166.db2.gz PSRQMUVQUPNKJQ-UHFFFAOYSA-N 0 3 330.392 1.578 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](CCO)C1CC1 ZINC000763055641 580091250 /nfs/dbraw/zinc/09/12/50/580091250.db2.gz JEHSPKIXTPIQSE-GWCFXTLKSA-N 0 3 337.376 1.681 20 5 EDBDHN COc1cc(COC(=O)C2CCN(C)C2=O)c([N+](=O)[O-])cc1F ZINC000772526820 580314534 /nfs/dbraw/zinc/31/45/34/580314534.db2.gz PHAKSMZNJHLRNT-VIFPVBQESA-N 0 3 326.280 1.264 20 5 EDBDHN CN1CCC(ONC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000773548435 580340483 /nfs/dbraw/zinc/34/04/83/580340483.db2.gz BHIHCDLHRYCEGZ-UHFFFAOYSA-N 0 3 330.344 1.899 20 5 EDBDHN O=C(NCC1CC1)[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776579316 580422052 /nfs/dbraw/zinc/42/20/52/580422052.db2.gz MQLILCSMMVITCZ-RDJZCZTQSA-N 0 3 347.415 1.866 20 5 EDBDHN O=C([C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000776581685 580422121 /nfs/dbraw/zinc/42/21/21/580422121.db2.gz HINRAVDKMJONJQ-RDJZCZTQSA-N 0 3 347.415 1.963 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H](C)N(C)C ZINC000785774669 580652807 /nfs/dbraw/zinc/65/28/07/580652807.db2.gz GGWBAJKJGTUMPZ-QMMMGPOBSA-N 0 3 326.309 1.652 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCCO)CC1 ZINC000787408766 580694634 /nfs/dbraw/zinc/69/46/34/580694634.db2.gz ZLBXGVXKFXVGNC-KAMYIIQDSA-N 0 3 347.415 1.819 20 5 EDBDHN CON(C)C(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000799124411 581017603 /nfs/dbraw/zinc/01/76/03/581017603.db2.gz VASXTVGYIYVBLG-UHFFFAOYSA-N 0 3 337.376 1.848 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000801569430 581080481 /nfs/dbraw/zinc/08/04/81/581080481.db2.gz RUNOKFRBJFQCSZ-CRAIPNDOSA-N 0 3 349.431 1.672 20 5 EDBDHN CC(C)CN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801880277 581087147 /nfs/dbraw/zinc/08/71/47/581087147.db2.gz VBAHHHNNEZDTSR-UHFFFAOYSA-N 0 3 326.372 1.976 20 5 EDBDHN COc1ccc(CNC(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000892211688 590865740 /nfs/dbraw/zinc/86/57/40/590865740.db2.gz LDNSKABCXHXIOC-ZDUSSCGKSA-N 0 3 336.392 1.839 20 5 EDBDHN CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](CN)C1 ZINC000841103945 591195030 /nfs/dbraw/zinc/19/50/30/591195030.db2.gz TUKCKGKZSKYWGF-SNVBAGLBSA-N 0 3 327.772 1.355 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000892928927 591228064 /nfs/dbraw/zinc/22/80/64/591228064.db2.gz BVVMSMMILKLFBW-IUODEOHRSA-N 0 3 334.376 1.319 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCN(C)C)CC2)c1C ZINC000900007373 591864838 /nfs/dbraw/zinc/86/48/38/591864838.db2.gz MKTRLIWTMDTRDN-UHFFFAOYSA-N 0 3 334.420 1.531 20 5 EDBDHN COc1cc([C@@H](C)NC[C@@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])c1 ZINC000903061571 592111608 /nfs/dbraw/zinc/11/16/08/592111608.db2.gz HFUISTICNZITPT-MNOVXSKESA-N 0 3 328.390 1.689 20 5 EDBDHN CC(COC(=O)c1c(Br)nc2n1CCCC2)[N+](=O)[O-] ZINC000838964410 593244021 /nfs/dbraw/zinc/24/40/21/593244021.db2.gz JBXQTDGIXOJOIR-ZETCQYMHSA-N 0 3 332.154 1.804 20 5 EDBDHN CCN1CCN([C@H](C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804349030 593407451 /nfs/dbraw/zinc/40/74/51/593407451.db2.gz IHVHSJOANMDDEY-GFCCVEGCSA-N 0 3 337.380 1.941 20 5 EDBDHN CC(COC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)[N+](=O)[O-] ZINC000813107227 593518082 /nfs/dbraw/zinc/51/80/82/593518082.db2.gz MXIHPJPFOACLIM-SMDDNHRTSA-N 0 3 326.324 1.407 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000815285442 593624957 /nfs/dbraw/zinc/62/49/57/593624957.db2.gz HDESUOOPARZLQH-BRWVUGGUSA-N 0 3 336.388 1.538 20 5 EDBDHN CC1(C)OC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000819155672 593741850 /nfs/dbraw/zinc/74/18/50/593741850.db2.gz PBFHURCUIFOVEG-NEPJUHHUSA-N 0 3 326.349 1.076 20 5 EDBDHN CC1(C)OCC(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CO1 ZINC000819226481 593745420 /nfs/dbraw/zinc/74/54/20/593745420.db2.gz REPOXKRNMQGQCL-GFCCVEGCSA-N 0 3 326.349 1.076 20 5 EDBDHN CC(C)(O)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000819240987 593745987 /nfs/dbraw/zinc/74/59/87/593745987.db2.gz DXXHXQVQDNFMEN-OAHLLOKOSA-N 0 3 334.376 1.169 20 5 EDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000830155963 594346444 /nfs/dbraw/zinc/34/64/44/594346444.db2.gz PFLZIFJGHBAVNK-CYBMUJFWSA-N 0 3 337.351 1.717 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826685863 594555497 /nfs/dbraw/zinc/55/54/97/594555497.db2.gz ODSUZIYZPNXROP-JTQLQIEISA-N 0 3 326.784 1.804 20 5 EDBDHN O=[N+]([O-])c1ccc(CNC[C@]2(OCCO)CCOC2)cc1Cl ZINC000826940294 594606546 /nfs/dbraw/zinc/60/65/46/594606546.db2.gz CCFXRXGLPRPYOW-CQSZACIVSA-N 0 3 330.768 1.506 20 5 EDBDHN CCN(CCO)CCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000832301434 594741279 /nfs/dbraw/zinc/74/12/79/594741279.db2.gz FSUPBODYWIFFQR-UHFFFAOYSA-N 0 3 331.319 1.225 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000832690427 594769260 /nfs/dbraw/zinc/76/92/60/594769260.db2.gz GXTXJCQGXZUAJM-HZMBPMFUSA-N 0 3 334.332 1.588 20 5 EDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000104531672 594967862 /nfs/dbraw/zinc/96/78/62/594967862.db2.gz IPEZWGSOYNFLOB-CYBMUJFWSA-N 0 3 336.392 1.360 20 5 EDBDHN CCC(=O)c1ccc(N2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000845628349 595035136 /nfs/dbraw/zinc/03/51/36/595035136.db2.gz CCWGLMBWUSWQDH-UHFFFAOYSA-N 0 3 348.403 1.398 20 5 EDBDHN CN(C)CCN1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1=O ZINC000845629665 595035255 /nfs/dbraw/zinc/03/52/55/595035255.db2.gz LDZNLHIWMIVCLN-UHFFFAOYSA-N 0 3 344.774 1.598 20 5 EDBDHN CC([C@H](OC(=O)CCCCNC(N)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874935 595085715 /nfs/dbraw/zinc/08/57/15/595085715.db2.gz KHVAFZFGOSUZHV-HZMBPMFUSA-N 0 3 341.339 1.914 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000846942103 595340799 /nfs/dbraw/zinc/34/07/99/595340799.db2.gz ZEJIREZMEISTFW-DLBZAZTESA-N 0 3 335.404 1.425 20 5 EDBDHN O=C([N-]C[C@@H]1C[NH2+]CCCO1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767275 595600953 /nfs/dbraw/zinc/60/09/53/595600953.db2.gz BGXUMQUCFQIJFR-LBPRGKRZSA-N 0 3 345.302 1.061 20 5 EDBDHN CO[C@H](CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCOC1 ZINC000851714156 595894001 /nfs/dbraw/zinc/89/40/01/595894001.db2.gz FILOINGUYBOYNH-WMLDXEAASA-N 0 3 335.404 1.768 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCN3C)C2)c([N+](=O)[O-])s1 ZINC000867811434 596563367 /nfs/dbraw/zinc/56/33/67/596563367.db2.gz PQFHGRUKXQRORP-GHMZBOCLSA-N 0 3 345.446 1.679 20 5 EDBDHN COCCN1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865445559 596576792 /nfs/dbraw/zinc/57/67/92/596576792.db2.gz HQYSTRWJQKIIFM-UHFFFAOYSA-N 0 3 327.356 1.385 20 5 EDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC(=O)N1CCN(C)CC1 ZINC000866249511 596837482 /nfs/dbraw/zinc/83/74/82/596837482.db2.gz KNBCURPIDOSZDM-LBPRGKRZSA-N 0 3 338.383 1.029 20 5 EDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000874851151 597201457 /nfs/dbraw/zinc/20/14/57/597201457.db2.gz ZNJIZSPSSMPGLM-LSDHHAIUSA-N 0 3 346.387 1.020 20 5 EDBDHN O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000738366634 598597614 /nfs/dbraw/zinc/59/76/14/598597614.db2.gz GLGFYGYOEAFWHI-UHFFFAOYSA-N 0 3 340.343 1.944 20 5 EDBDHN O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738366634 598597616 /nfs/dbraw/zinc/59/76/16/598597616.db2.gz GLGFYGYOEAFWHI-UHFFFAOYSA-N 0 3 340.343 1.944 20 5 EDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN1C1CCOCC1 ZINC000915098409 695739672 /nfs/dbraw/zinc/73/96/72/695739672.db2.gz NXPUXSSLBKLQSY-INIZCTEOSA-N 0 3 348.403 1.647 20 5 EDBDHN CC1(C)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000072828099 702030678 /nfs/dbraw/zinc/03/06/78/702030678.db2.gz FDNPTLWCILAUJW-UHFFFAOYSA-N 0 3 346.431 1.975 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)CC2CCC2)CC1 ZINC000997652177 703965997 /nfs/dbraw/zinc/96/59/97/703965997.db2.gz VFGSXLKMPOTHBG-UHFFFAOYSA-N 0 3 349.435 1.847 20 5 EDBDHN CCc1nocc1CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000676185 708061050 /nfs/dbraw/zinc/06/10/50/708061050.db2.gz ZJNCTXRXCFEFTF-UKRRQHHQSA-N 0 3 334.376 1.151 20 5 EDBDHN COc1cc(C(=O)NCCN(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000053887289 214203226 /nfs/dbraw/zinc/20/32/26/214203226.db2.gz KJPXGUBTMNMZLO-UHFFFAOYSA-N 0 3 333.291 1.496 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCSc3ccccc32)c1 ZINC000559683027 306257691 /nfs/dbraw/zinc/25/76/91/306257691.db2.gz HFGMDTUUCKHGIX-OCCSQVGLSA-N 0 3 334.401 1.979 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@H]2CCCSC2)cc1 ZINC000183461152 235090665 /nfs/dbraw/zinc/09/06/65/235090665.db2.gz VLXOKGXIUJQPPK-NSHDSACASA-N 0 3 345.446 1.358 20 5 EDBDHN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000131276318 223219298 /nfs/dbraw/zinc/21/92/98/223219298.db2.gz JJKUCHGWQJXFQU-OAHLLOKOSA-N 0 3 348.403 1.186 20 5 EDBDHN CN1CCN(CC2CCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000195510836 139018723 /nfs/dbraw/zinc/01/87/23/139018723.db2.gz QHLSCLWMSVRQTE-UHFFFAOYSA-N 0 3 325.438 1.515 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C[NH3+])CC(C)C)cc1C ZINC000236624480 139027128 /nfs/dbraw/zinc/02/71/28/139027128.db2.gz VVYOHUYMTUPQFQ-GFCCVEGCSA-N 0 3 329.422 1.863 20 5 EDBDHN Cn1cc(CNCCNC(=O)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237915889 139063798 /nfs/dbraw/zinc/06/37/98/139063798.db2.gz VHTGSTUCLQBGNS-UHFFFAOYSA-N 0 3 343.387 1.611 20 5 EDBDHN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245720530 139084154 /nfs/dbraw/zinc/08/41/54/139084154.db2.gz APEUSHGXYGUJJK-DGCLKSJQSA-N 0 3 344.375 1.353 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246110914 139095465 /nfs/dbraw/zinc/09/54/65/139095465.db2.gz JTIIUFGRXTZJRM-MCIONIFRSA-N 0 3 326.422 1.512 20 5 EDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246575535 139113554 /nfs/dbraw/zinc/11/35/54/139113554.db2.gz CEIKNSAYYRKZDW-BBRMVZONSA-N 0 3 333.388 1.916 20 5 EDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248710379 139172657 /nfs/dbraw/zinc/17/26/57/139172657.db2.gz BRYGGAGISNCROG-IUODEOHRSA-N 0 3 339.417 1.700 20 5 EDBDHN COc1ccc(NC(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000415448057 304221043 /nfs/dbraw/zinc/22/10/43/304221043.db2.gz UXTSUPZSQINFNX-NSHDSACASA-N 0 3 330.291 1.722 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000431390405 254516912 /nfs/dbraw/zinc/51/69/12/254516912.db2.gz RYSUQHQYLFFAHD-INIZCTEOSA-N 0 3 334.376 1.509 20 5 EDBDHN C[C@@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000495041508 255266710 /nfs/dbraw/zinc/26/67/10/255266710.db2.gz FHSWXQBSEFEXEU-WOPDTQHZSA-N 0 3 327.406 1.507 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1CN(C)C ZINC000263899665 139368453 /nfs/dbraw/zinc/36/84/53/139368453.db2.gz CKTVBYOXWRQPJD-SWLSCSKDSA-N 0 3 348.403 1.266 20 5 EDBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118117977 221123145 /nfs/dbraw/zinc/12/31/45/221123145.db2.gz ZIBKAARAZYAPDW-NSHDSACASA-N 0 3 336.392 1.688 20 5 EDBDHN Cc1nn(CCC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000119352610 221300644 /nfs/dbraw/zinc/30/06/44/221300644.db2.gz QADIDHVJGLTRMW-CABCVRRESA-N 0 3 349.435 1.741 20 5 EDBDHN COc1ccc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000268265351 139751744 /nfs/dbraw/zinc/75/17/44/139751744.db2.gz ROTNFALUIWUFTQ-GWCFXTLKSA-N 0 3 343.405 1.174 20 5 EDBDHN O=C(CCN1CC[C@@H](N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000270899118 140193679 /nfs/dbraw/zinc/19/36/79/140193679.db2.gz MHSNGOLUQGGNOG-CYBMUJFWSA-N 0 3 346.387 1.620 20 5 EDBDHN CN(C)C1(CNC(=O)c2nn(C)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000271331479 140279993 /nfs/dbraw/zinc/27/99/93/140279993.db2.gz AZZGOSUBVJCBIM-UHFFFAOYSA-N 0 3 343.387 1.157 20 5 EDBDHN CCN1CCC[C@H](NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000339933814 142204608 /nfs/dbraw/zinc/20/46/08/142204608.db2.gz JLAWAJKWKHIFDA-ZDUSSCGKSA-N 0 3 336.392 1.887 20 5 EDBDHN O=C(NCC1CCN(CCO)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000340279894 142328817 /nfs/dbraw/zinc/32/88/17/142328817.db2.gz RAMOOIFAMRHPBU-UHFFFAOYSA-N 0 3 346.387 1.510 20 5 EDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CN2CCN1CCC2 ZINC000345004006 143038014 /nfs/dbraw/zinc/03/80/14/143038014.db2.gz PCQCMIXDDOYEPQ-AWEZNQCLSA-N 0 3 338.795 1.254 20 5 EDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346163022 143173949 /nfs/dbraw/zinc/17/39/49/143173949.db2.gz CTSXLCPGCUDCFO-GZBFAFLISA-N 0 3 335.408 1.370 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347280194 143303358 /nfs/dbraw/zinc/30/33/58/143303358.db2.gz XXECJHWIPOFQDS-LLVKDONJSA-N 0 3 326.328 1.576 20 5 EDBDHN CCN1C[C@@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000347708844 143352548 /nfs/dbraw/zinc/35/25/48/143352548.db2.gz SJVVZWCGXDKWJH-LZWOXQAQSA-N 0 3 337.420 1.749 20 5 EDBDHN O=[N+]([O-])c1ccn(Cc2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)n1 ZINC000357955289 151208882 /nfs/dbraw/zinc/20/88/82/151208882.db2.gz WXVZRTWARUEXRL-AOOOYVTPSA-N 0 3 331.336 1.078 20 5 EDBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCN1C ZINC000361083735 152298005 /nfs/dbraw/zinc/29/80/05/152298005.db2.gz QILXOVAMTLDELU-VHSXEESVSA-N 0 3 328.394 1.137 20 5 EDBDHN CN1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000364623497 153288924 /nfs/dbraw/zinc/28/89/24/153288924.db2.gz HAMZHXBOJLHGLO-IAQYHMDHSA-N 0 3 349.416 1.662 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000367694053 154232298 /nfs/dbraw/zinc/23/22/98/154232298.db2.gz BAFOCCIWPUMKMP-HOCLYGCPSA-N 0 3 332.404 1.873 20 5 EDBDHN O=C([C@H]1CC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2)N1CCCC1 ZINC000378384164 158159642 /nfs/dbraw/zinc/15/96/42/158159642.db2.gz UPIGPPUSIYTVIE-CQSZACIVSA-N 0 3 347.419 1.516 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C3CCCCC3)C2)n1 ZINC000378399370 158163814 /nfs/dbraw/zinc/16/38/14/158163814.db2.gz FRFPUJFYKFPLTQ-LBPRGKRZSA-N 0 3 335.408 1.855 20 5 EDBDHN C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000065601996 287240943 /nfs/dbraw/zinc/24/09/43/287240943.db2.gz IFJMQNRXCZVVST-ZDUSSCGKSA-N 0 3 348.403 1.770 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000132863446 287530978 /nfs/dbraw/zinc/53/09/78/287530978.db2.gz KKNCSZYPAAAMCF-LBPRGKRZSA-N 0 3 338.383 1.490 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccn2)n1 ZINC000191806526 272981732 /nfs/dbraw/zinc/98/17/32/272981732.db2.gz PTMHQBMFNQMOPI-UHFFFAOYSA-N 0 3 346.391 1.410 20 5 EDBDHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000275472105 268347681 /nfs/dbraw/zinc/34/76/81/268347681.db2.gz AOQQSSVQWZNNJE-AWEZNQCLSA-N 0 3 328.376 1.738 20 5 EDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000273539089 273042684 /nfs/dbraw/zinc/04/26/84/273042684.db2.gz SRUTZBYSOSXOBS-LBPRGKRZSA-N 0 3 338.412 1.163 20 5 EDBDHN COc1cc(C(=O)NCC2(O)CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000276904255 273168853 /nfs/dbraw/zinc/16/88/53/273168853.db2.gz NXUSDSZPWYLTQD-UHFFFAOYSA-N 0 3 337.376 1.098 20 5 EDBDHN CC[C@H](NC(=O)C(=O)NC1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000283846101 273981920 /nfs/dbraw/zinc/98/19/20/273981920.db2.gz BIUDQPCANURLHO-HNNXBMFYSA-N 0 3 348.403 1.373 20 5 EDBDHN Cn1nccc1[C@H]1[C@H](NCCc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000284599282 274259196 /nfs/dbraw/zinc/25/91/96/274259196.db2.gz AHFNTRWDOLMZHW-RHSMWYFYSA-N 0 3 343.387 1.432 20 5 EDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000189891229 274349520 /nfs/dbraw/zinc/34/95/20/274349520.db2.gz NIPKNIAMNSBJEC-CQSZACIVSA-N 0 3 337.420 1.751 20 5 EDBDHN CC(C)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000270924852 275670743 /nfs/dbraw/zinc/67/07/43/275670743.db2.gz DIDCBKXIFIIEAH-CYBMUJFWSA-N 0 3 337.424 1.815 20 5 EDBDHN CC(C)C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000109705734 279141944 /nfs/dbraw/zinc/14/19/44/279141944.db2.gz ABUNXRZWFYGTMM-SNVBAGLBSA-N 0 3 335.813 1.900 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000291855199 289197633 /nfs/dbraw/zinc/19/76/33/289197633.db2.gz IFGVXCRBRPUQEC-HNNXBMFYSA-N 0 3 339.417 1.620 20 5 EDBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292011721 289238157 /nfs/dbraw/zinc/23/81/57/289238157.db2.gz MTXRFFIDLUZFHI-AWEZNQCLSA-N 0 3 325.390 1.311 20 5 EDBDHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420427300 289551023 /nfs/dbraw/zinc/55/10/23/289551023.db2.gz QYCLHNWXMQDRAQ-ZCFIWIBFSA-N 0 3 327.284 1.239 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000294189806 303075002 /nfs/dbraw/zinc/07/50/02/303075002.db2.gz UGZJWBYTYNCZQM-UHFFFAOYSA-N 0 3 347.375 1.761 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C(C)(C)C(N)=O ZINC000295697924 303254012 /nfs/dbraw/zinc/25/40/12/303254012.db2.gz MDPRTDXDNOCDTC-UHFFFAOYSA-N 0 3 338.364 1.128 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296417634 303315360 /nfs/dbraw/zinc/31/53/60/303315360.db2.gz VLGXHWQPJFSGIU-LYRGGWFBSA-N 0 3 349.387 1.945 20 5 EDBDHN CO[C@H]1c2ccccc2C[C@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000411896143 303928100 /nfs/dbraw/zinc/92/81/00/303928100.db2.gz XYKIKRMSXVZQMH-BMFZPTHFSA-N 0 3 332.360 1.054 20 5 EDBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCN2CCC[C@H]2C1 ZINC000448923305 305304362 /nfs/dbraw/zinc/30/43/62/305304362.db2.gz UJRZCFOWHDCQSI-AWEZNQCLSA-N 0 3 341.371 1.905 20 5 EDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCCN1CCCS1(=O)=O ZINC000449134270 305307295 /nfs/dbraw/zinc/30/72/95/305307295.db2.gz HYLUMFUZTZFRMA-GFCCVEGCSA-N 0 3 327.406 1.151 20 5 EDBDHN CN1CC[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000451630950 305357417 /nfs/dbraw/zinc/35/74/17/305357417.db2.gz MWHSVZOZWMVJMZ-OCCSQVGLSA-N 0 3 329.360 1.781 20 5 EDBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000452341388 305389947 /nfs/dbraw/zinc/38/99/47/305389947.db2.gz CUEYUKBLSRTJAO-LBPRGKRZSA-N 0 3 335.408 1.812 20 5 EDBDHN O=C(NC[C@H]1CCCCN1CCO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452392238 305397312 /nfs/dbraw/zinc/39/73/12/305397312.db2.gz QYVOZBVLBDCFPX-CYBMUJFWSA-N 0 3 346.387 1.653 20 5 EDBDHN CS[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000539198950 306034879 /nfs/dbraw/zinc/03/48/79/306034879.db2.gz XULBFQGSRMSMFD-KBPBESRZSA-N 0 3 349.416 1.725 20 5 EDBDHN COc1cc(C(=O)N[C@H]2CNCCC2(F)F)cc([N+](=O)[O-])c1OC ZINC000449670701 447383344 /nfs/dbraw/zinc/38/33/44/447383344.db2.gz XUXXSKIVUUDKQZ-NSHDSACASA-N 0 3 345.302 1.339 20 5 EDBDHN O=C(NC1CCN(C2CC2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045313792 440972225 /nfs/dbraw/zinc/97/22/25/440972225.db2.gz ZZEUVWORMZOBEY-UHFFFAOYSA-N 0 3 329.360 1.828 20 5 EDBDHN CCN1CCC(Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000007365292 441048563 /nfs/dbraw/zinc/04/85/63/441048563.db2.gz SZJFDBFJMRDKOC-UHFFFAOYSA-N 0 3 342.421 1.399 20 5 EDBDHN COc1cc(C(=O)NC[C@H](C)N(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000046272515 441097952 /nfs/dbraw/zinc/09/79/52/441097952.db2.gz HHCHEMKDHJXQON-QMMMGPOBSA-N 0 3 347.318 1.885 20 5 EDBDHN CCN1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000061031807 441264248 /nfs/dbraw/zinc/26/42/48/441264248.db2.gz INIFPAUWFLVFIQ-UHFFFAOYSA-N 0 3 344.375 1.390 20 5 EDBDHN COc1cc(C(=O)NC[C@H](C)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000063733324 441347891 /nfs/dbraw/zinc/34/78/91/441347891.db2.gz WFXNAYOJDSZAQI-NSHDSACASA-N 0 3 337.376 1.826 20 5 EDBDHN COCCN(C)CCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000063645152 441340372 /nfs/dbraw/zinc/34/03/72/441340372.db2.gz VKQNUMZJYZLKSB-UHFFFAOYSA-N 0 3 343.355 1.197 20 5 EDBDHN Cc1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000074137759 441398830 /nfs/dbraw/zinc/39/88/30/441398830.db2.gz NTIDUKKYVXHFJM-ZDUSSCGKSA-N 0 3 334.420 1.517 20 5 EDBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085786087 441449623 /nfs/dbraw/zinc/44/96/23/441449623.db2.gz ZDAXSHNTRIIHFM-CYBMUJFWSA-N 0 3 341.433 1.698 20 5 EDBDHN COc1cc(OCC(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000108307360 441442962 /nfs/dbraw/zinc/44/29/62/441442962.db2.gz DWLFOCUZYHFQJY-CYBMUJFWSA-N 0 3 349.387 1.583 20 5 EDBDHN O=C(NCCCC[NH+]1CCOCC1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000053450059 441523474 /nfs/dbraw/zinc/52/34/74/441523474.db2.gz RQPFDCNEYLDCSA-UHFFFAOYSA-N 0 3 347.375 1.313 20 5 EDBDHN Cc1nc(C)c([C@H](C)N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075718260 441551340 /nfs/dbraw/zinc/55/13/40/441551340.db2.gz SNVPFRZXEAJJJP-GWCFXTLKSA-N 0 3 339.421 1.919 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112917581 441567365 /nfs/dbraw/zinc/56/73/65/441567365.db2.gz NAGAJCVRUNLYRM-CQSZACIVSA-N 0 3 334.420 1.280 20 5 EDBDHN C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCC1 ZINC000067136596 441608792 /nfs/dbraw/zinc/60/87/92/441608792.db2.gz JVLSOHSHTGNMKO-LBPRGKRZSA-N 0 3 344.375 1.390 20 5 EDBDHN COC(=O)c1cc(C(=O)N2CCC[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000068342031 441779657 /nfs/dbraw/zinc/77/96/57/441779657.db2.gz MKQMJPLKUDRUCJ-CYBMUJFWSA-N 0 3 335.360 1.548 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N2CCC[C@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000068342411 441780240 /nfs/dbraw/zinc/78/02/40/441780240.db2.gz FTSFGYFWDQIAJE-AWEZNQCLSA-N 0 3 349.387 1.938 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2C)cc1OC ZINC000139181469 441806884 /nfs/dbraw/zinc/80/68/84/441806884.db2.gz KCGYNBIDHIAAJJ-LLVKDONJSA-N 0 3 337.376 1.826 20 5 EDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000092687694 441822072 /nfs/dbraw/zinc/82/20/72/441822072.db2.gz CXZYHNMUXJTTQI-OAHLLOKOSA-N 0 3 333.436 1.905 20 5 EDBDHN Cn1cc(C[C@@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cn1 ZINC000159865621 441842656 /nfs/dbraw/zinc/84/26/56/441842656.db2.gz WQXQJBWOYNAFJQ-ZDUSSCGKSA-N 0 3 331.376 1.055 20 5 EDBDHN CC(=O)N(C)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119891005 441971528 /nfs/dbraw/zinc/97/15/28/441971528.db2.gz GGECKGZFUAJJPA-UHFFFAOYSA-N 0 3 348.403 1.866 20 5 EDBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174859639 441975359 /nfs/dbraw/zinc/97/53/59/441975359.db2.gz QEZZHCIALAEAQO-CYBMUJFWSA-N 0 3 337.424 1.666 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000078572662 441945395 /nfs/dbraw/zinc/94/53/95/441945395.db2.gz NLRBXBWBJJSSGB-NSHDSACASA-N 0 3 343.405 1.224 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3nnc4ccccn43)C2)n1 ZINC000176250415 442199811 /nfs/dbraw/zinc/19/98/11/442199811.db2.gz SQAPUJZDVVNRDS-CYBMUJFWSA-N 0 3 341.375 1.714 20 5 EDBDHN O=C(CN1CC[C@@H](N2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000170743026 442256503 /nfs/dbraw/zinc/25/65/03/442256503.db2.gz JBEOIKZTKJGXPK-MRXNPFEDSA-N 0 3 344.415 1.654 20 5 EDBDHN COCCN(C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000171129021 442317703 /nfs/dbraw/zinc/31/77/03/442317703.db2.gz FBXFJIUXCFUMBF-UHFFFAOYSA-N 0 3 336.392 1.477 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CC[NH2+]C2)cc1C ZINC000171635564 442365135 /nfs/dbraw/zinc/36/51/35/442365135.db2.gz ZLCJFQOHPRQPHK-LBPRGKRZSA-N 0 3 327.406 1.490 20 5 EDBDHN CCc1n[nH]c(C(=O)NCc2ccc(CN(C)C)cc2)c1[N+](=O)[O-] ZINC000171943121 442392055 /nfs/dbraw/zinc/39/20/55/442392055.db2.gz OFKZKBHXBAZNNW-UHFFFAOYSA-N 0 3 331.376 1.872 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000178714253 442461639 /nfs/dbraw/zinc/46/16/39/442461639.db2.gz BFGRGSOMDOWQEU-CYBMUJFWSA-N 0 3 349.309 1.656 20 5 EDBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H](c1ccccc1)N(C)C ZINC000186485916 442543519 /nfs/dbraw/zinc/54/35/19/442543519.db2.gz ZZZVTNCWVLZALV-XHDPSFHLSA-N 0 3 343.387 1.993 20 5 EDBDHN Cc1c(NC(=O)CCN[C@H]2C(=O)NCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000193584070 442756262 /nfs/dbraw/zinc/75/62/62/442756262.db2.gz WASXFYOVKWOLRQ-MEBBXXQBSA-N 0 3 334.376 1.346 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000193272384 442727940 /nfs/dbraw/zinc/72/79/40/442727940.db2.gz CZFLZFDBGCFCSY-ZDUSSCGKSA-N 0 3 341.433 1.880 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000265815930 442932181 /nfs/dbraw/zinc/93/21/81/442932181.db2.gz VPQAYRXTPQTPBG-GJZGRUSLSA-N 0 3 345.403 1.623 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000194700580 442939446 /nfs/dbraw/zinc/93/94/46/442939446.db2.gz DKQCTZZRQNDPRJ-CQSZACIVSA-N 0 3 329.360 1.605 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194746044 442948029 /nfs/dbraw/zinc/94/80/29/442948029.db2.gz CILAEAUMXFSQEX-CQSZACIVSA-N 0 3 343.387 1.580 20 5 EDBDHN Cc1c(F)cc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000184562657 443040192 /nfs/dbraw/zinc/04/01/92/443040192.db2.gz ZTLAHBQKCVORCN-NSHDSACASA-N 0 3 345.396 1.757 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(CCCO)Cc2ccccc2)c1 ZINC000268977658 443164364 /nfs/dbraw/zinc/16/43/64/443164364.db2.gz OBJQDEHDLWVEAB-MRXNPFEDSA-N 0 3 334.376 1.037 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@@H](C[NH3+])C2)cc1C ZINC000382485785 319123982 /nfs/dbraw/zinc/12/39/82/319123982.db2.gz GPCVJWONYMUOQT-NEPJUHHUSA-N 0 3 327.406 1.617 20 5 EDBDHN CCN1CC[C@@H](NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000414547776 319330152 /nfs/dbraw/zinc/33/01/52/319330152.db2.gz JBLGLYLUGMJWFH-CYBMUJFWSA-N 0 3 337.376 1.330 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000414648388 319335832 /nfs/dbraw/zinc/33/58/32/319335832.db2.gz BBRNGFXBPDCZGV-SKDRFNHKSA-N 0 3 338.364 1.838 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266956249 443302716 /nfs/dbraw/zinc/30/27/16/443302716.db2.gz VNQSYZVAIYXKJT-HIFRSBDPSA-N 0 3 346.387 1.937 20 5 EDBDHN O=C(NCC1CC1)[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269656846 443382643 /nfs/dbraw/zinc/38/26/43/443382643.db2.gz OTDOFTOIPKJBDV-DOTOQJQBSA-N 0 3 347.415 1.866 20 5 EDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COC1CCOCC1 ZINC000282544084 443370261 /nfs/dbraw/zinc/37/02/61/443370261.db2.gz WGRLGCBFLZOKSF-MRXNPFEDSA-N 0 3 338.404 1.626 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@H]2C1 ZINC000272661913 443400972 /nfs/dbraw/zinc/40/09/72/443400972.db2.gz ROGMEJRUEDYXQI-ABAIWWIYSA-N 0 3 337.351 1.665 20 5 EDBDHN COc1ccc(OCCN2CC[C@@]3(CNC(=O)C3)C2)c([N+](=O)[O-])c1 ZINC000278971429 443477934 /nfs/dbraw/zinc/47/79/34/443477934.db2.gz XVLHRKTUCIENBW-MRXNPFEDSA-N 0 3 335.360 1.194 20 5 EDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000279368630 443566244 /nfs/dbraw/zinc/56/62/44/443566244.db2.gz RQXBKSDVEWPXOJ-STQMWFEESA-N 0 3 349.370 1.130 20 5 EDBDHN Cc1nn(C)c(C(=O)N(CC(C)C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265152682 443551505 /nfs/dbraw/zinc/55/15/05/443551505.db2.gz ZANUAVCCGRVGAL-UHFFFAOYSA-N 0 3 337.424 1.829 20 5 EDBDHN COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2N(C)C)c([N+](=O)[O-])c1 ZINC000429330304 319925470 /nfs/dbraw/zinc/92/54/70/319925470.db2.gz PCWJLSKVERLIAY-RYUDHWBXSA-N 0 3 343.405 1.364 20 5 EDBDHN Cn1cc(CN2CC[C@](C)(C(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000280109462 443665888 /nfs/dbraw/zinc/66/58/88/443665888.db2.gz AXZQGYGPUGXDEH-KRWDZBQOSA-N 0 3 343.387 1.693 20 5 EDBDHN COC(=O)COc1ccc(CNCC2=CCOCC2)cc1[N+](=O)[O-] ZINC000449403300 320189109 /nfs/dbraw/zinc/18/91/09/320189109.db2.gz PKAHQWBVNLGDNP-UHFFFAOYSA-N 0 3 336.344 1.583 20 5 EDBDHN COc1ccc(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000449433182 320190349 /nfs/dbraw/zinc/19/03/49/320190349.db2.gz LCZZPOVSCMZRKA-KFWWJZLASA-N 0 3 336.388 1.965 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000449430140 320190416 /nfs/dbraw/zinc/19/04/16/320190416.db2.gz WODDEUPEFDWBIC-OLZOCXBDSA-N 0 3 338.360 1.397 20 5 EDBDHN Cc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298493556 443783275 /nfs/dbraw/zinc/78/32/75/443783275.db2.gz NLBUGVBBRVIUSR-KBPBESRZSA-N 0 3 339.417 1.808 20 5 EDBDHN O=C1C[C@H](N2C[C@H]3CCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000532049111 320672350 /nfs/dbraw/zinc/67/23/50/320672350.db2.gz WJFGJLZDWIMXJI-JMSVASOKSA-N 0 3 329.356 1.959 20 5 EDBDHN CC(C)(C)CCN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298770364 443863716 /nfs/dbraw/zinc/86/37/16/443863716.db2.gz HSILTIIQIRLLLT-UHFFFAOYSA-N 0 3 335.408 1.647 20 5 EDBDHN CCN1CC[C@H]2OCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293311573 443981051 /nfs/dbraw/zinc/98/10/51/443981051.db2.gz QHKGGIDYBBELOG-GVDBMIGSSA-N 0 3 335.404 1.423 20 5 EDBDHN COCCN1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000299207510 443983120 /nfs/dbraw/zinc/98/31/20/443983120.db2.gz DBCVPAJXAZEBBH-BQYQJAHWSA-N 0 3 333.388 1.789 20 5 EDBDHN CN1CC[C@]2(CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C2)C1 ZINC000293638484 444077460 /nfs/dbraw/zinc/07/74/60/444077460.db2.gz FZXDPDWMLKPHDL-HNNXBMFYSA-N 0 3 347.400 1.767 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2nccs2)cc1 ZINC000563952970 321117581 /nfs/dbraw/zinc/11/75/81/321117581.db2.gz YSHQOIDCJKKPEW-UHFFFAOYSA-N 0 3 341.414 1.657 20 5 EDBDHN Cc1ccc(CN(CCN(C)C)C(=O)CCn2cc([N+](=O)[O-])cn2)o1 ZINC000299616388 444096481 /nfs/dbraw/zinc/09/64/81/444096481.db2.gz DAVXMLHYEXXWJU-UHFFFAOYSA-N 0 3 349.391 1.673 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000571549573 321391349 /nfs/dbraw/zinc/39/13/49/321391349.db2.gz IGZAKKKKISHAKX-LLVKDONJSA-N 0 3 335.360 1.532 20 5 EDBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000289578257 444175308 /nfs/dbraw/zinc/17/53/08/444175308.db2.gz OVYABNDHDSZTET-CYBMUJFWSA-N 0 3 343.449 1.785 20 5 EDBDHN Nc1nc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000301876295 444194923 /nfs/dbraw/zinc/19/49/23/444194923.db2.gz NDKCICVGRNHEMW-QWHCGFSZSA-N 0 3 344.375 1.014 20 5 EDBDHN Cc1cc(NCCS(=O)(=O)N(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000323201134 444342283 /nfs/dbraw/zinc/34/22/83/444342283.db2.gz KOAZIBZECAHQPN-UHFFFAOYSA-N 0 3 338.389 1.755 20 5 EDBDHN C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000343141343 445091276 /nfs/dbraw/zinc/09/12/76/445091276.db2.gz XQXAFHDXFJHCHK-OLZOCXBDSA-N 0 3 336.392 1.136 20 5 EDBDHN CCCN1CCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000343569009 445245614 /nfs/dbraw/zinc/24/56/14/445245614.db2.gz LOMFALPVCLOWBD-LBPRGKRZSA-N 0 3 335.360 1.928 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000348189139 445310925 /nfs/dbraw/zinc/31/09/25/445310925.db2.gz WKSLNTGQUNXUNV-TZMCWYRMSA-N 0 3 334.376 1.346 20 5 EDBDHN COCCO[C@@H]1COCC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000362516999 445421228 /nfs/dbraw/zinc/42/12/28/445421228.db2.gz VLQKYFRMRYENHN-CZUORRHYSA-N 0 3 340.376 1.514 20 5 EDBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1ccc(F)cc1 ZINC000359789087 445428799 /nfs/dbraw/zinc/42/87/99/445428799.db2.gz IFYRNAXVPKNSMQ-GFCCVEGCSA-N 0 3 335.339 1.500 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCN(C2CCOCC2)CC1 ZINC000363058069 445663792 /nfs/dbraw/zinc/66/37/92/445663792.db2.gz KFZPQFJRYPYOFQ-UHFFFAOYSA-N 0 3 347.415 1.851 20 5 EDBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000349815598 445687551 /nfs/dbraw/zinc/68/75/51/445687551.db2.gz YKAMMYSBNXXNIR-LBPRGKRZSA-N 0 3 329.422 1.743 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000353772690 445747911 /nfs/dbraw/zinc/74/79/11/445747911.db2.gz WBLVYZXCXIETMX-MNOVXSKESA-N 0 3 326.349 1.253 20 5 EDBDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351495419 446099902 /nfs/dbraw/zinc/09/99/02/446099902.db2.gz PQAORYHVJIQRJD-SNVBAGLBSA-N 0 3 340.355 1.519 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000373236072 446111695 /nfs/dbraw/zinc/11/16/95/446111695.db2.gz GHLNMYNAKUWERE-RDJZCZTQSA-N 0 3 330.388 1.845 20 5 EDBDHN CCc1n[n-]c(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000373589815 446274149 /nfs/dbraw/zinc/27/41/49/446274149.db2.gz YHLNVYSQVQBBFZ-UHFFFAOYSA-N 0 3 347.379 1.013 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000371359114 446802304 /nfs/dbraw/zinc/80/23/04/446802304.db2.gz GXCBCEYLOZNMGF-GOEBONIOSA-N 0 3 346.431 1.693 20 5 EDBDHN C[C@H]1CCCN(CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000439094564 446806178 /nfs/dbraw/zinc/80/61/78/446806178.db2.gz BTCMWVXJUCUMBC-NSHDSACASA-N 0 3 331.376 2.387 20 5 EDBDHN CN(C[C@@H]1CCCN1C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420994405 446972396 /nfs/dbraw/zinc/97/23/96/446972396.db2.gz CCFHJSDLZUTINP-JKSUJKDBSA-N 0 3 332.404 1.726 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000368595582 446967451 /nfs/dbraw/zinc/96/74/51/446967451.db2.gz SWSIEKVZBUOEKH-ABAIWWIYSA-N 0 3 337.351 1.665 20 5 EDBDHN CC[C@H](NC(=O)C(=O)N1CCCC[C@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000419172157 446987548 /nfs/dbraw/zinc/98/75/48/446987548.db2.gz UJTPRWUXOHWTDV-GJZGRUSLSA-N 0 3 348.403 1.502 20 5 EDBDHN O=[N+]([O-])c1cc(CN2CC[C@@H](c3nc[nH]n3)C2)c2c(c1)COCO2 ZINC000425348909 447124308 /nfs/dbraw/zinc/12/43/08/447124308.db2.gz CUDZRJHNYTWEAE-SNVBAGLBSA-N 0 3 331.332 1.569 20 5 EDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000375923164 447151891 /nfs/dbraw/zinc/15/18/91/447151891.db2.gz SFXOOVCLPGWYLT-GDBMZVCRSA-N 0 3 344.346 1.883 20 5 EDBDHN CNc1nc(C(=O)N2CCC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455541529 447163509 /nfs/dbraw/zinc/16/35/09/447163509.db2.gz XEKVHOCGLVRVKE-GFCCVEGCSA-N 0 3 333.392 1.732 20 5 EDBDHN C[C@H]1C[C@H](O)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000452072854 447810607 /nfs/dbraw/zinc/81/06/07/447810607.db2.gz WFNKVVUEFJPANG-AAEUAGOBSA-N 0 3 335.360 1.596 20 5 EDBDHN COC(=O)NCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496735760 447867414 /nfs/dbraw/zinc/86/74/14/447867414.db2.gz QTVZCRPMPIHEDL-NOZJJQNGSA-N 0 3 328.296 1.821 20 5 EDBDHN CC(COC(=O)[C@@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000496820931 447941778 /nfs/dbraw/zinc/94/17/78/447941778.db2.gz YPIMJFZJFKCCQC-ZETOZRRWSA-N 0 3 328.365 1.842 20 5 EDBDHN COc1cc(OCC(=O)NCCN2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000524774684 447952254 /nfs/dbraw/zinc/95/22/54/447952254.db2.gz WGDNJXULKYCXID-GFCCVEGCSA-N 0 3 337.376 1.440 20 5 EDBDHN C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000525699983 448013536 /nfs/dbraw/zinc/01/35/36/448013536.db2.gz GWNNWVINZGEADT-NSHDSACASA-N 0 3 328.394 1.000 20 5 EDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000576713408 448123200 /nfs/dbraw/zinc/12/32/00/448123200.db2.gz DTQLYECKXARNES-GFCCVEGCSA-N 0 3 349.387 1.921 20 5 EDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000514645195 448177056 /nfs/dbraw/zinc/17/70/56/448177056.db2.gz NLZMOQIQJFDJLO-RYUDHWBXSA-N 0 3 340.405 1.095 20 5 EDBDHN CN1CC[C@](O)(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000577225326 448243513 /nfs/dbraw/zinc/24/35/13/448243513.db2.gz OGWIIJQXZVRMNC-OLZOCXBDSA-N 0 3 333.310 1.854 20 5 EDBDHN COc1ccc(OCCNC(C)(C)C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000532716878 448302377 /nfs/dbraw/zinc/30/23/77/448302377.db2.gz KWOUVJCSJPYUMA-UHFFFAOYSA-N 0 3 325.365 1.439 20 5 EDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)N(C)C1 ZINC000515667104 448341660 /nfs/dbraw/zinc/34/16/60/448341660.db2.gz FMOQRMDTAOCVJZ-LBPRGKRZSA-N 0 3 334.376 1.476 20 5 EDBDHN CC1(C)CN[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591669450 448441199 /nfs/dbraw/zinc/44/11/99/448441199.db2.gz VDXAFYNOWOSLJS-OAHLLOKOSA-N 0 3 333.388 1.963 20 5 EDBDHN COCCn1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000578741978 448624030 /nfs/dbraw/zinc/62/40/30/448624030.db2.gz RZESLKSREJUORZ-UHFFFAOYSA-N 0 3 347.375 1.556 20 5 EDBDHN Cc1ccc(CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2CC2)cn1 ZINC000592144880 448706438 /nfs/dbraw/zinc/70/64/38/448706438.db2.gz JZELVXVWFKMYHY-KRWDZBQOSA-N 0 3 345.403 1.768 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592211626 448749933 /nfs/dbraw/zinc/74/99/33/448749933.db2.gz UZMHWRJYSKATTO-NSHDSACASA-N 0 3 335.364 1.179 20 5 EDBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000592430716 448832902 /nfs/dbraw/zinc/83/29/02/448832902.db2.gz CJDCQYRIVBYFQF-PTOFAABTSA-N 0 3 338.282 1.236 20 5 EDBDHN Cc1c(CC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000592870449 449028823 /nfs/dbraw/zinc/02/88/23/449028823.db2.gz FBWSKYUZIXAGIZ-CYBMUJFWSA-N 0 3 348.403 1.024 20 5 EDBDHN CN1C[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592879790 449033997 /nfs/dbraw/zinc/03/39/97/449033997.db2.gz CQLWYBSVDRZVKK-OCCSQVGLSA-N 0 3 329.360 1.393 20 5 EDBDHN Cc1nn(CCC(=O)NC[C@H]2CCN2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000597858176 449126368 /nfs/dbraw/zinc/12/63/68/449126368.db2.gz LKPOSSHLZZNWCW-CYBMUJFWSA-N 0 3 337.424 1.787 20 5 EDBDHN COc1cc(OCC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590440823 449162312 /nfs/dbraw/zinc/16/23/12/449162312.db2.gz CCUCNADQXPYDIZ-RISCZKNCSA-N 0 3 335.360 1.145 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC[NH2+]CC2)c(Cl)c1 ZINC000593731762 449167248 /nfs/dbraw/zinc/16/72/48/449167248.db2.gz CWDDPFDYAKJUDA-UHFFFAOYSA-N 0 3 347.824 1.916 20 5 EDBDHN COC(=O)COc1ccc(CN(C)[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000593694587 449150504 /nfs/dbraw/zinc/15/05/04/449150504.db2.gz OBARCCRHUCLFKZ-NSHDSACASA-N 0 3 326.349 1.349 20 5 EDBDHN C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000597941599 449151101 /nfs/dbraw/zinc/15/11/01/449151101.db2.gz CHKQZENEROTTLP-LBPRGKRZSA-N 0 3 338.408 1.302 20 5 EDBDHN C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000597941599 449151103 /nfs/dbraw/zinc/15/11/03/449151103.db2.gz CHKQZENEROTTLP-LBPRGKRZSA-N 0 3 338.408 1.302 20 5 EDBDHN Cn1c(Sc2cc[n-]c(=O)c2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000596131498 449379179 /nfs/dbraw/zinc/37/91/79/449379179.db2.gz NNOIBVYGIYTWJN-QMMMGPOBSA-N 0 3 336.377 1.442 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615894 449360688 /nfs/dbraw/zinc/36/06/88/449360688.db2.gz FSNXNXQYWLCJJL-UHFFFAOYSA-N 0 3 349.435 1.597 20 5 EDBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000596051044 449336947 /nfs/dbraw/zinc/33/69/47/449336947.db2.gz LDQUNKRZHTVCRW-SNVBAGLBSA-N 0 3 341.311 1.246 20 5 EDBDHN CC[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)N1 ZINC000598535889 449451658 /nfs/dbraw/zinc/45/16/58/449451658.db2.gz KTYFLPUESFCPFZ-QWHCGFSZSA-N 0 3 343.387 1.993 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N2CCN[C@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000598571185 449470689 /nfs/dbraw/zinc/47/06/89/449470689.db2.gz BULGKWDFMVIDOX-HNNXBMFYSA-N 0 3 349.387 1.842 20 5 EDBDHN COC(=O)c1ccnc(N2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000598624794 449501868 /nfs/dbraw/zinc/50/18/68/449501868.db2.gz HGYRLIQPKSEWNE-VXGBXAGGSA-N 0 3 334.376 1.839 20 5 EDBDHN COc1cccc([N+](=O)[O-])c1N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000594556282 449574965 /nfs/dbraw/zinc/57/49/65/449574965.db2.gz LYHUJOMBUKEZHU-AWEZNQCLSA-N 0 3 334.420 1.820 20 5 EDBDHN NC[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F ZINC000594525975 449561583 /nfs/dbraw/zinc/56/15/83/449561583.db2.gz ZGHIRVHKLJGYEX-VIFPVBQESA-N 0 3 346.269 1.160 20 5 EDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000599106929 449739664 /nfs/dbraw/zinc/73/96/64/449739664.db2.gz KIHMUZPUNNHVCH-ZDUSSCGKSA-N 0 3 325.390 1.299 20 5 EDBDHN C[C@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1cccc([N+](=O)[O-])c1 ZINC000599063779 449714747 /nfs/dbraw/zinc/71/47/47/449714747.db2.gz HKQGDBWWPRVZLJ-KSSFIOAISA-N 0 3 349.431 1.861 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601164252 449728037 /nfs/dbraw/zinc/72/80/37/449728037.db2.gz RBTOKWBLGMHQCP-LBPRGKRZSA-N 0 3 338.383 1.490 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCN3C3CCCCC3)nn21 ZINC000599128006 449750952 /nfs/dbraw/zinc/75/09/52/449750952.db2.gz UJOUHDNJTGXNMP-ZDUSSCGKSA-N 0 3 330.392 2.456 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000601225772 449760535 /nfs/dbraw/zinc/76/05/35/449760535.db2.gz OZTQJLNUNHNJCU-OAHLLOKOSA-N 0 3 340.355 1.654 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@]1(OCCO)CCOC1 ZINC000595077920 449858048 /nfs/dbraw/zinc/85/80/48/449858048.db2.gz LAOYNARBBVZQJS-MLGOLLRUSA-N 0 3 340.376 1.422 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601420722 449937101 /nfs/dbraw/zinc/93/71/01/449937101.db2.gz GIVGPKZSCQOWDA-CMPLNLGQSA-N 0 3 345.396 1.755 20 5 EDBDHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602894085 449902155 /nfs/dbraw/zinc/90/21/55/449902155.db2.gz YGSYVXQLMCXNKE-LLVKDONJSA-N 0 3 335.330 1.750 20 5 EDBDHN Cc1c(CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)cccc1[N+](=O)[O-] ZINC000595282517 449998789 /nfs/dbraw/zinc/99/87/89/449998789.db2.gz PXQVRPNXFNEZJG-RISCZKNCSA-N 0 3 348.403 1.105 20 5 EDBDHN COc1ccc(CC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383400 450021442 /nfs/dbraw/zinc/02/14/42/450021442.db2.gz NFKPNMAHCPDJHO-CQSZACIVSA-N 0 3 333.388 1.746 20 5 EDBDHN COCCN1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609354239 450018423 /nfs/dbraw/zinc/01/84/23/450018423.db2.gz YKFVBRSTDUEMQW-CYBMUJFWSA-N 0 3 337.376 1.176 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599627295 450113835 /nfs/dbraw/zinc/11/38/35/450113835.db2.gz WVRNLLYLGKGQRJ-UDKBDQPSSA-N 0 3 337.376 1.943 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC1CS(=O)(=O)C1 ZINC000615728153 450216128 /nfs/dbraw/zinc/21/61/28/450216128.db2.gz HEHLVJOFVNIAOO-UHFFFAOYSA-N 0 3 328.390 1.518 20 5 EDBDHN NC(=O)C1(c2ccccc2)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610453319 450225913 /nfs/dbraw/zinc/22/59/13/450225913.db2.gz BNCKHVMKBHMHAV-UHFFFAOYSA-N 0 3 343.387 1.310 20 5 EDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CC[C@@H](C)C1 ZINC000610399655 491191903 /nfs/dbraw/zinc/19/19/03/491191903.db2.gz XCHHVHWBFSMBOR-CHWSQXEVSA-N 0 3 348.403 1.171 20 5 EDBDHN CC[C@@H](O)[C@@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181900229 529236042 /nfs/dbraw/zinc/23/60/42/529236042.db2.gz HHAGNPLTBNRXLX-OFQRWUPVSA-N 0 3 338.404 1.960 20 5 EDBDHN CN(C)CCOc1ccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000271088595 535905941 /nfs/dbraw/zinc/90/59/41/535905941.db2.gz HOMQDDVMUNRWDE-UHFFFAOYSA-N 0 3 347.375 1.199 20 5 EDBDHN CN1C(=O)N[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000345668346 536326679 /nfs/dbraw/zinc/32/66/79/536326679.db2.gz SNMNBCORQZWEIU-KBPBESRZSA-N 0 3 347.375 1.021 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000346620145 536775264 /nfs/dbraw/zinc/77/52/64/536775264.db2.gz MFCGDDAOQCYTIH-LSDHHAIUSA-N 0 3 336.392 1.455 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000743258943 579474361 /nfs/dbraw/zinc/47/43/61/579474361.db2.gz OYAZJMOIRKPNON-ZIAGYGMSSA-N 0 3 340.767 1.129 20 5 EDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCCC1 ZINC000727372421 578527490 /nfs/dbraw/zinc/52/74/90/578527490.db2.gz GDRVHEVJXWCDSK-GFCCVEGCSA-N 0 3 349.387 1.970 20 5 EDBDHN CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CN2CCC1CC2 ZINC000732159519 578694971 /nfs/dbraw/zinc/69/49/71/578694971.db2.gz HXCPAXHSHQNPIP-OAHLLOKOSA-N 0 3 337.351 1.665 20 5 EDBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000733159364 578746035 /nfs/dbraw/zinc/74/60/35/578746035.db2.gz PAWAKKSLHAJJHU-CQSZACIVSA-N 0 3 333.388 1.968 20 5 EDBDHN CN1CCC2(CCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000747978016 579665515 /nfs/dbraw/zinc/66/55/15/579665515.db2.gz CNVOMNNXLNKQPS-UHFFFAOYSA-N 0 3 346.387 1.021 20 5 EDBDHN COC(=O)C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754517385 579905081 /nfs/dbraw/zinc/90/50/81/579905081.db2.gz CUVLGLQHXJWRRU-IINYFYTJSA-N 0 3 335.360 1.853 20 5 EDBDHN COc1cccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000767774248 580199117 /nfs/dbraw/zinc/19/91/17/580199117.db2.gz GDHDEMWLZGKVPZ-VXGBXAGGSA-N 0 3 335.360 1.196 20 5 EDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771510077 580288163 /nfs/dbraw/zinc/28/81/63/580288163.db2.gz RJVWGFJSPVVFBE-LLVKDONJSA-N 0 3 347.400 1.814 20 5 EDBDHN Cc1nn(CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000779868609 580500288 /nfs/dbraw/zinc/50/02/88/580500288.db2.gz ZMFQHMDBFBPYAY-ZFWWWQNUSA-N 0 3 336.440 1.015 20 5 EDBDHN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000781609938 580553288 /nfs/dbraw/zinc/55/32/88/580553288.db2.gz HILUSELXTTYYOL-LBPRGKRZSA-N 0 3 348.359 1.789 20 5 EDBDHN CCCCN(C)CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781974675 580562224 /nfs/dbraw/zinc/56/22/24/580562224.db2.gz MXPPFVPTWAWPJN-INIZCTEOSA-N 0 3 348.403 1.936 20 5 EDBDHN COc1ccc(NC(=O)CCN2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000782635156 580581441 /nfs/dbraw/zinc/58/14/41/580581441.db2.gz UFLBYPZFNCBRMI-BZNIZROVSA-N 0 3 335.360 1.246 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000788968149 580733863 /nfs/dbraw/zinc/73/38/63/580733863.db2.gz VYKNHRPZOMVTIW-CYBMUJFWSA-N 0 3 336.344 1.929 20 5 EDBDHN CSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCN(C)CC1 ZINC000793358759 580842804 /nfs/dbraw/zinc/84/28/04/580842804.db2.gz PYEHJXQWKUGIKY-UHFFFAOYSA-N 0 3 338.433 1.734 20 5 EDBDHN CN1C[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000794948059 580908677 /nfs/dbraw/zinc/90/86/77/580908677.db2.gz HAXXRJSQDQRHDF-QMTHXVAHSA-N 0 3 338.795 1.823 20 5 EDBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1[N+](=O)[O-] ZINC000795220147 580916205 /nfs/dbraw/zinc/91/62/05/580916205.db2.gz JIBDAIHKLQNTPV-LBPRGKRZSA-N 0 3 349.347 1.585 20 5 EDBDHN O=C(OCCn1cc([N+](=O)[O-])ccc1=O)C1CCN(C2CC2)CC1 ZINC000801875191 581087049 /nfs/dbraw/zinc/08/70/49/581087049.db2.gz KWHCQMFYAHKHAS-UHFFFAOYSA-N 0 3 335.360 1.174 20 5 EDBDHN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)C12CCCN(CCC1)C2 ZINC000893305243 590769299 /nfs/dbraw/zinc/76/92/99/590769299.db2.gz NQVPXVDGTGHSIB-UHFFFAOYSA-N 0 3 334.376 1.914 20 5 EDBDHN COCCN1CC[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000892412985 591018208 /nfs/dbraw/zinc/01/82/08/591018208.db2.gz AKYFAPPHYGVQBU-GFCCVEGCSA-N 0 3 334.351 1.837 20 5 EDBDHN C[C@@]1(NC(=O)CCOc2ccccc2[N+](=O)[O-])CN2CCC1CC2 ZINC000892795227 591182485 /nfs/dbraw/zinc/18/24/85/591182485.db2.gz ZLVVQHJVQQFUFC-QGZVFWFLSA-N 0 3 333.388 1.964 20 5 EDBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C(=O)NCC12CCOCC2 ZINC000895769701 591269826 /nfs/dbraw/zinc/26/98/26/591269826.db2.gz BPCFJUGFPPBRQY-XJKSGUPXSA-N 0 3 347.415 1.801 20 5 EDBDHN CN1CCN(C)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000897855447 591679238 /nfs/dbraw/zinc/67/92/38/591679238.db2.gz CLMNPTVVADXMNL-UHFFFAOYSA-N 0 3 326.828 1.927 20 5 EDBDHN CCO[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)CN(C)C ZINC000902972682 592096010 /nfs/dbraw/zinc/09/60/10/592096010.db2.gz YDIKHMRJBNIKCS-NSHDSACASA-N 0 3 328.344 1.822 20 5 EDBDHN C[C@H](CN[C@@H]1C(=O)NCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000903244683 592143433 /nfs/dbraw/zinc/14/34/33/592143433.db2.gz BCNTXZWTQAFQAS-IUODEOHRSA-N 0 3 333.388 1.583 20 5 EDBDHN CNCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000903588285 592223469 /nfs/dbraw/zinc/22/34/69/592223469.db2.gz HUPFXSDCQNRDJZ-UHFFFAOYSA-N 0 3 335.813 1.867 20 5 EDBDHN C[C@@](O)(CNCCn1cc([N+](=O)[O-])cn1)C(F)(F)C(F)(F)F ZINC000905174704 592454774 /nfs/dbraw/zinc/45/47/74/592454774.db2.gz GMUHJWMVFINOJI-MRVPVSSYSA-N 0 3 332.229 1.330 20 5 EDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000907547210 592702393 /nfs/dbraw/zinc/70/23/93/592702393.db2.gz CJKJCNMEOWVNCI-RISCZKNCSA-N 0 3 325.390 1.167 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC000812335314 593497940 /nfs/dbraw/zinc/49/79/40/593497940.db2.gz SSIYYURSLXNFOP-MNOVXSKESA-N 0 3 329.360 1.495 20 5 EDBDHN CC(COC(=O)CCCCN1C(=O)c2ccccc2C1=O)[N+](=O)[O-] ZINC000813104100 593517932 /nfs/dbraw/zinc/51/79/32/593517932.db2.gz JXJVAMMLHSOBNO-LLVKDONJSA-N 0 3 334.328 1.661 20 5 EDBDHN CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106617 593518256 /nfs/dbraw/zinc/51/82/56/593518256.db2.gz FHZDRKPVTHEASX-AAEUAGOBSA-N 0 3 340.401 1.747 20 5 EDBDHN CC(C)n1ncc2cc(C=CC(=O)OCC(C)[N+](=O)[O-])c(=O)[nH]c21 ZINC000813111316 593518373 /nfs/dbraw/zinc/51/83/73/593518373.db2.gz GKPKZJHIYBYNDL-YEZKRMTDSA-N 0 3 334.332 1.527 20 5 EDBDHN CC(COC(=O)[C@H]1CCCCN1C(=O)c1cccs1)[N+](=O)[O-] ZINC000813111380 593518498 /nfs/dbraw/zinc/51/84/98/593518498.db2.gz SJQQMHTWIUDIPD-GHMZBOCLSA-N 0 3 326.374 1.951 20 5 EDBDHN Cc1c(C(=O)N(C)C[C@H]2CCCN2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000817490537 593607563 /nfs/dbraw/zinc/60/75/63/593607563.db2.gz RGJJRWYMTQNMGN-LLVKDONJSA-N 0 3 336.348 1.978 20 5 EDBDHN O=C1NCCc2ccc(CNC[C@@H](O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000819228109 593745635 /nfs/dbraw/zinc/74/56/35/593745635.db2.gz HADVTXJXMRCQHH-QGZVFWFLSA-N 0 3 341.367 1.704 20 5 EDBDHN CN1CCN(CC2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000820459255 593820164 /nfs/dbraw/zinc/82/01/64/593820164.db2.gz NLVWBDLQQRXTTC-DAXSKMNVSA-N 0 3 344.415 1.314 20 5 EDBDHN CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000821253521 593998228 /nfs/dbraw/zinc/99/82/28/593998228.db2.gz GDPRUAGXWIRWIZ-RISCZKNCSA-N 0 3 345.407 1.941 20 5 EDBDHN CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000821253521 593998231 /nfs/dbraw/zinc/99/82/31/593998231.db2.gz GDPRUAGXWIRWIZ-RISCZKNCSA-N 0 3 345.407 1.941 20 5 EDBDHN CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000821253521 593998232 /nfs/dbraw/zinc/99/82/32/593998232.db2.gz GDPRUAGXWIRWIZ-RISCZKNCSA-N 0 3 345.407 1.941 20 5 EDBDHN CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000821253521 593998234 /nfs/dbraw/zinc/99/82/34/593998234.db2.gz GDPRUAGXWIRWIZ-RISCZKNCSA-N 0 3 345.407 1.941 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000822933533 594124638 /nfs/dbraw/zinc/12/46/38/594124638.db2.gz JTEKQTQIZYDVRH-KBPBESRZSA-N 0 3 333.388 1.493 20 5 EDBDHN COC1CCN(C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823186002 594166259 /nfs/dbraw/zinc/16/62/59/594166259.db2.gz UGXYDKUSJKAAMQ-UHFFFAOYSA-N 0 3 329.441 1.828 20 5 EDBDHN CCN1CCN(CCC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000825647943 594210535 /nfs/dbraw/zinc/21/05/35/594210535.db2.gz KFPCXVYBHNAEKW-UHFFFAOYSA-N 0 3 334.420 1.547 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C2CCCCCC2)n1 ZINC000826669140 594550887 /nfs/dbraw/zinc/55/08/87/594550887.db2.gz ZGGQOFNKILMZBK-CYBMUJFWSA-N 0 3 335.408 1.855 20 5 EDBDHN CCO[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CN(C)C ZINC000831743563 594698342 /nfs/dbraw/zinc/69/83/42/594698342.db2.gz JROLVNOPMDOZES-CYBMUJFWSA-N 0 3 329.784 1.945 20 5 EDBDHN CCO[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)CN(C)C ZINC000831766048 594700903 /nfs/dbraw/zinc/70/09/03/594700903.db2.gz GQLRNFFDBZJUPH-CQSZACIVSA-N 0 3 325.365 1.057 20 5 EDBDHN CC([C@@H](OC(=O)[C@@H]1CCNC(=O)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881528 595087182 /nfs/dbraw/zinc/08/71/82/595087182.db2.gz LOYHCKXEPFARRD-JRPNMDOOSA-N 0 3 338.335 1.992 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC3(CC([NH3+])C3)C2)c1C ZINC000842798309 595202997 /nfs/dbraw/zinc/20/29/97/595202997.db2.gz SUCQLRAFARDBLA-UHFFFAOYSA-N 0 3 339.417 1.760 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H](O)c1ccsc1 ZINC000843083387 595282900 /nfs/dbraw/zinc/28/29/00/595282900.db2.gz HLLCDNZWHFVATF-OCCSQVGLSA-N 0 3 338.385 1.719 20 5 EDBDHN CN(C)CCN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000844375894 595333388 /nfs/dbraw/zinc/33/33/88/595333388.db2.gz MKCHIYWYMQDZRP-UHFFFAOYSA-N 0 3 340.811 1.454 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000845344373 595482487 /nfs/dbraw/zinc/48/24/87/595482487.db2.gz VWQIJADOFCMVHZ-ZIAGYGMSSA-N 0 3 337.351 1.256 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000845344369 595482529 /nfs/dbraw/zinc/48/25/29/595482529.db2.gz VWQIJADOFCMVHZ-KBPBESRZSA-N 0 3 337.351 1.256 20 5 EDBDHN COC(=O)C1=CC[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000863571882 596622040 /nfs/dbraw/zinc/62/20/40/596622040.db2.gz GHWWUDMHWOTOSD-OCCSQVGLSA-N 0 3 336.344 1.186 20 5 EDBDHN CN1CCN(CCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1(C)C ZINC000865757431 596672352 /nfs/dbraw/zinc/67/23/52/596672352.db2.gz RGWJQJBFRGDKOF-UHFFFAOYSA-N 0 3 340.399 1.664 20 5 EDBDHN CN1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)CC[C@H]21 ZINC000866206688 596826695 /nfs/dbraw/zinc/82/66/95/596826695.db2.gz FKQALGQGXHJCAW-WCQYABFASA-N 0 3 339.417 1.529 20 5 EDBDHN O=C1CC2(CCOCC2)N(CCOc2cccc([N+](=O)[O-])c2)CCN1 ZINC000872288046 596868847 /nfs/dbraw/zinc/86/88/47/596868847.db2.gz SGFWSUOGXYKNDW-UHFFFAOYSA-N 0 3 349.387 1.345 20 5 EDBDHN O=[N+]([O-])c1ccc(OS(=O)(=O)CCCN2CCCC2)c(F)c1 ZINC000866501870 596893944 /nfs/dbraw/zinc/89/39/44/596893944.db2.gz CLUMLFKJYPXLMD-UHFFFAOYSA-N 0 3 332.353 1.928 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000873100981 597194658 /nfs/dbraw/zinc/19/46/58/597194658.db2.gz KVZUVXGYGQARBX-CJNGLKHVSA-N 0 3 335.404 1.937 20 5 EDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000876469469 597211778 /nfs/dbraw/zinc/21/17/78/597211778.db2.gz CYTZBWGWCSIQHW-MRXNPFEDSA-N 0 3 337.376 1.014 20 5 EDBDHN NC(=O)C1(N2CCCCC2)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000882816685 598069651 /nfs/dbraw/zinc/06/96/51/598069651.db2.gz VLXCFMYITFMIMT-UHFFFAOYSA-N 0 3 332.404 1.905 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCN1C ZINC000925334801 697531446 /nfs/dbraw/zinc/53/14/46/697531446.db2.gz NPPRVXDYAPSQRU-NHYWBVRUSA-N 0 3 334.376 1.460 20 5 EDBDHN CCN1CC[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000412837550 304039728 /nfs/dbraw/zinc/03/97/28/304039728.db2.gz JYLNYHQDYLKGSZ-LBPRGKRZSA-N 0 3 335.360 1.119 20 5 EDBDHN Cc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184305182 235362342 /nfs/dbraw/zinc/36/23/42/235362342.db2.gz MEXWQIQXPLBCOS-AWEZNQCLSA-N 0 3 334.420 1.659 20 5 EDBDHN CNC(=O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000026341696 202141571 /nfs/dbraw/zinc/14/15/71/202141571.db2.gz ULKUCGVYOWGTPF-UHFFFAOYSA-N 0 3 348.403 1.690 20 5 EDBDHN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)N(C)C ZINC000187253143 236158405 /nfs/dbraw/zinc/15/84/05/236158405.db2.gz RRHZFORSLXOHGC-LRDDRELGSA-N 0 3 331.376 1.599 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](Cc2ccncc2)C1 ZINC000359875094 201114342 /nfs/dbraw/zinc/11/43/42/201114342.db2.gz RPXPTORAMAVDJC-HNNXBMFYSA-N 0 3 328.372 1.716 20 5 EDBDHN CC1(C)C[C@@H](NC[C@@H](O)Cn2ccnn2)c2cc([N+](=O)[O-])ccc21 ZINC000414196062 304105384 /nfs/dbraw/zinc/10/53/84/304105384.db2.gz UZNBZDCGFCIQJL-IUODEOHRSA-N 0 3 331.376 1.559 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000104748194 204117894 /nfs/dbraw/zinc/11/78/94/204117894.db2.gz CMDOYBVNWQVLAF-GFCCVEGCSA-N 0 3 327.406 1.475 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000106364831 204191041 /nfs/dbraw/zinc/19/10/41/204191041.db2.gz HHOSKZZGMRNWDM-GFCCVEGCSA-N 0 3 336.348 1.978 20 5 EDBDHN CN(C)[C@@H]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000109806509 204294653 /nfs/dbraw/zinc/29/46/53/204294653.db2.gz NTGUXDREEZPHFO-OAHLLOKOSA-N 0 3 332.404 1.510 20 5 EDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000108831565 204272377 /nfs/dbraw/zinc/27/23/77/204272377.db2.gz GTEHBSBNBMWHMP-GFCCVEGCSA-N 0 3 329.422 1.745 20 5 EDBDHN CCN(C)C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129210216 205185220 /nfs/dbraw/zinc/18/52/20/205185220.db2.gz MUCNRQSQZFJQJK-JTQLQIEISA-N 0 3 347.462 1.838 20 5 EDBDHN Cc1nccn1CCCN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000130923757 205266229 /nfs/dbraw/zinc/26/62/29/205266229.db2.gz FJKHGHCPNORBMY-UHFFFAOYSA-N 0 3 331.376 1.721 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H]1CCC[NH2+]C1 ZINC000237768926 139059911 /nfs/dbraw/zinc/05/99/11/139059911.db2.gz YQPIOBVAAFQCAN-JTQLQIEISA-N 0 3 347.824 1.916 20 5 EDBDHN Cc1nn(CCC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000247563785 139152415 /nfs/dbraw/zinc/15/24/15/139152415.db2.gz ZUAURBXINQXZSC-SMDDNHRTSA-N 0 3 337.424 1.739 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000248265599 139159873 /nfs/dbraw/zinc/15/98/73/139159873.db2.gz DOCPXXSQJUHDOM-UHFFFAOYSA-N 0 3 335.360 1.596 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000250399955 139201025 /nfs/dbraw/zinc/20/10/25/139201025.db2.gz XQVPCRHPXTWHHH-WCQYABFASA-N 0 3 335.360 1.196 20 5 EDBDHN N[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000261785388 139225873 /nfs/dbraw/zinc/22/58/73/139225873.db2.gz PSGHLDUSUWEZJS-LSDHHAIUSA-N 0 3 329.360 1.135 20 5 EDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000174254922 207003951 /nfs/dbraw/zinc/00/39/51/207003951.db2.gz FCRNZKVLMSZDSB-MRXNPFEDSA-N 0 3 330.388 1.793 20 5 EDBDHN CCO[C@@H]1C[C@](N)(C(=O)NCCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000262365240 139273410 /nfs/dbraw/zinc/27/34/10/139273410.db2.gz HPOLPIHPZSQGLK-PBHICJAKSA-N 0 3 335.404 1.786 20 5 EDBDHN COCCCN1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000263758178 139358327 /nfs/dbraw/zinc/35/83/27/139358327.db2.gz LACAOKQXUGALLJ-UHFFFAOYSA-N 0 3 335.404 1.754 20 5 EDBDHN CO[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1OC ZINC000488018081 255041187 /nfs/dbraw/zinc/04/11/87/255041187.db2.gz PUDKGGUWWTVYAM-HUUCEWRRSA-N 0 3 337.376 1.577 20 5 EDBDHN C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1C ZINC000490339887 255085290 /nfs/dbraw/zinc/08/52/90/255085290.db2.gz DAPHAFAFBILGSN-STQMWFEESA-N 0 3 338.412 1.353 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CNCC[C@@H]2C)c1C ZINC000193409808 291995067 /nfs/dbraw/zinc/99/50/67/291995067.db2.gz YGJJEQKFJVKODE-ZANVPECISA-N 0 3 327.406 1.488 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270351201 140084094 /nfs/dbraw/zinc/08/40/94/140084094.db2.gz OMSKLBCNZCLFOB-BLLLJJGKSA-N 0 3 332.404 1.919 20 5 EDBDHN CS[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1N(C)C ZINC000270406099 140094242 /nfs/dbraw/zinc/09/42/42/140094242.db2.gz ADJUAMPZKMRWQO-OLZOCXBDSA-N 0 3 349.416 1.589 20 5 EDBDHN CC(C)(CN1CCCC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000571859382 306575881 /nfs/dbraw/zinc/57/58/81/306575881.db2.gz KKDASTQAVYFBLW-UHFFFAOYSA-N 0 3 335.360 1.928 20 5 EDBDHN COc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)ccc1OCCN(C)C ZINC000416333256 304310292 /nfs/dbraw/zinc/31/02/92/304310292.db2.gz KQEFQZMKNDOTOT-UHFFFAOYSA-N 0 3 349.347 1.519 20 5 EDBDHN CC1CCN(C[C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330372325 140842580 /nfs/dbraw/zinc/84/25/80/140842580.db2.gz KBFFRONTJPFOFM-NSHDSACASA-N 0 3 327.406 1.479 20 5 EDBDHN O=C(N1CCCC1)[C@]1(O)CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000331655455 141062930 /nfs/dbraw/zinc/06/29/30/141062930.db2.gz LONAMLXIJZKVFR-SFHVURJKSA-N 0 3 347.415 1.587 20 5 EDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)c1 ZINC000332057090 141116190 /nfs/dbraw/zinc/11/61/90/141116190.db2.gz PATKBMNFKKUTBQ-GJZGRUSLSA-N 0 3 339.417 1.641 20 5 EDBDHN CCCN(CCN(C)C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000344860011 143020602 /nfs/dbraw/zinc/02/06/02/143020602.db2.gz CKPLBCUADWKDCP-UHFFFAOYSA-N 0 3 346.391 1.589 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000345873706 143141997 /nfs/dbraw/zinc/14/19/97/143141997.db2.gz IFADKNSPOQVJQY-ZLKJLUDKSA-N 0 3 334.376 1.426 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000345889923 143143871 /nfs/dbraw/zinc/14/38/71/143143871.db2.gz YLDOWMAGJUFRJI-OUCADQQQSA-N 0 3 348.403 1.735 20 5 EDBDHN Cc1nn(C)c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346174323 143175069 /nfs/dbraw/zinc/17/50/69/143175069.db2.gz YDVPZCLERFKSHE-DMDPSCGWSA-N 0 3 335.408 1.439 20 5 EDBDHN CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C2CC2)C1 ZINC000347895590 143376268 /nfs/dbraw/zinc/37/62/68/143376268.db2.gz OHRHHBIBQUTYHO-LBPRGKRZSA-N 0 3 329.360 1.780 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC2(CN(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000355317473 292180835 /nfs/dbraw/zinc/18/08/35/292180835.db2.gz CPQUOJGOXQODJU-UHFFFAOYSA-N 0 3 327.406 1.666 20 5 EDBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCC[C@@H]1n1cc(CO)nn1 ZINC000355272770 150194695 /nfs/dbraw/zinc/19/46/95/150194695.db2.gz CRODSJZXKNTKEM-ZBFHGGJFSA-N 0 3 331.376 1.952 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000355317971 150214559 /nfs/dbraw/zinc/21/45/59/150214559.db2.gz KXXDDLHHPWRKGZ-HOTGVXAUSA-N 0 3 333.388 1.838 20 5 EDBDHN CN(C)CC1(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000355320348 150215398 /nfs/dbraw/zinc/21/53/98/150215398.db2.gz GUWUJSDVCZZREU-UHFFFAOYSA-N 0 3 327.406 1.499 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000360593732 152112717 /nfs/dbraw/zinc/11/27/17/152112717.db2.gz AAELSYJCVBXVAQ-LBPRGKRZSA-N 0 3 339.417 1.666 20 5 EDBDHN CC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C[C@H](C)O ZINC000361265924 152349133 /nfs/dbraw/zinc/34/91/33/152349133.db2.gz LOHGHZHZLPBNRC-QWHCGFSZSA-N 0 3 347.419 1.748 20 5 EDBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363875490 153082741 /nfs/dbraw/zinc/08/27/41/153082741.db2.gz ZTDNLUSGJLPPFV-BPLDGKMQSA-N 0 3 348.403 1.609 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](O)c3ccccc3C2)c1 ZINC000367932618 154330938 /nfs/dbraw/zinc/33/09/38/154330938.db2.gz QOWNWNJOVMRDTP-ZBFHGGJFSA-N 0 3 332.360 1.092 20 5 EDBDHN CN1CC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000369572695 155094390 /nfs/dbraw/zinc/09/43/90/155094390.db2.gz BFUPYGFIMDZPPN-ABAIWWIYSA-N 0 3 349.416 1.662 20 5 EDBDHN Cc1nc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000378131878 158087763 /nfs/dbraw/zinc/08/77/63/158087763.db2.gz GTZFVSOUPXKYQH-OAHLLOKOSA-N 0 3 333.436 1.903 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000378450307 158178001 /nfs/dbraw/zinc/17/80/01/158178001.db2.gz OWFHKSAMLDCPLI-SWLSCSKDSA-N 0 3 346.387 1.394 20 5 EDBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000068499213 287249774 /nfs/dbraw/zinc/24/97/74/287249774.db2.gz LIDOVKJQFYNQDD-UHFFFAOYSA-N 0 3 348.403 1.125 20 5 EDBDHN CN(CCn1ccc([N+](=O)[O-])n1)CC(C)(C)CN1CCOCC1 ZINC000124093400 287394270 /nfs/dbraw/zinc/39/42/70/287394270.db2.gz GDUHECBLVZTXQC-UHFFFAOYSA-N 0 3 325.413 1.082 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000273470045 268045870 /nfs/dbraw/zinc/04/58/70/268045870.db2.gz OLAOERUXHROENG-NSHDSACASA-N 0 3 326.328 1.528 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000274614391 268168811 /nfs/dbraw/zinc/16/88/11/268168811.db2.gz XWBBOSGNJLBTOI-UHFFFAOYSA-N 0 3 335.360 1.339 20 5 EDBDHN O=C(NCCN1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000072937465 272915420 /nfs/dbraw/zinc/91/54/20/272915420.db2.gz RXXABWNGDMXIQG-UHFFFAOYSA-N 0 3 330.348 1.001 20 5 EDBDHN CC[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C[C@@H](C)O ZINC000277903263 273233210 /nfs/dbraw/zinc/23/32/10/273233210.db2.gz RMDSUTXWKJWQOQ-NEPJUHHUSA-N 0 3 333.392 1.753 20 5 EDBDHN CN(CCCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281691436 273513841 /nfs/dbraw/zinc/51/38/41/273513841.db2.gz YZTGVKWHGWJUNW-UHFFFAOYSA-N 0 3 327.406 1.701 20 5 EDBDHN COC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000136655512 274050419 /nfs/dbraw/zinc/05/04/19/274050419.db2.gz IONLCHAOIZCZOZ-HZMBPMFUSA-N 0 3 337.376 1.945 20 5 EDBDHN C[C@@H](CO)N1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000364958017 274227375 /nfs/dbraw/zinc/22/73/75/274227375.db2.gz YJXRWFGMVBWAFL-LBPRGKRZSA-N 0 3 348.403 1.372 20 5 EDBDHN C[C@@H]1NCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000262866235 274420510 /nfs/dbraw/zinc/42/05/10/274420510.db2.gz UOISUUWITKVDJB-UWVGGRQHSA-N 0 3 330.344 1.671 20 5 EDBDHN CCCN(CCN1CCCCC1)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000286092503 287933239 /nfs/dbraw/zinc/93/32/39/287933239.db2.gz DOGPQUOZRUORLS-UHFFFAOYSA-N 0 3 337.424 1.975 20 5 EDBDHN C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000357884000 278243549 /nfs/dbraw/zinc/24/35/49/278243549.db2.gz YJUNJMPNRGKRLA-ZDUSSCGKSA-N 0 3 347.419 1.956 20 5 EDBDHN C[C@@H](N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000372045216 278373016 /nfs/dbraw/zinc/37/30/16/278373016.db2.gz ATEHRFRQJBRSJT-NVXWUHKLSA-N 0 3 348.447 1.652 20 5 EDBDHN Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376562004 278638556 /nfs/dbraw/zinc/63/85/56/278638556.db2.gz KRJZXCYXJVWHAL-DGCLKSJQSA-N 0 3 334.376 1.703 20 5 EDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000286877834 288110388 /nfs/dbraw/zinc/11/03/88/288110388.db2.gz XLXXETPHDGBPAO-LYRGGWFBSA-N 0 3 343.387 1.590 20 5 EDBDHN C[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000158229444 279392368 /nfs/dbraw/zinc/39/23/68/279392368.db2.gz BUIWEVRPQDSLKQ-VIFPVBQESA-N 0 3 346.309 1.609 20 5 EDBDHN COc1cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1OC ZINC000292299292 289310089 /nfs/dbraw/zinc/31/00/89/289310089.db2.gz RXJVVOOTHKSPMA-QGZVFWFLSA-N 0 3 349.387 1.780 20 5 EDBDHN Cc1cc(N2C[C@H](O)[C@@H](N(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292438959 289347380 /nfs/dbraw/zinc/34/73/80/289347380.db2.gz VORJBPVWPDXFDH-GJZGRUSLSA-N 0 3 343.387 1.471 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[NH2+]CC2)c1C ZINC000374179071 301861020 /nfs/dbraw/zinc/86/10/20/301861020.db2.gz QKGNGSWNKJOUKY-LBPRGKRZSA-N 0 3 327.406 1.632 20 5 EDBDHN Cc1nn(C)c(C(=O)N2CCC[C@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000171041705 302734395 /nfs/dbraw/zinc/73/43/95/302734395.db2.gz MKXAJDYBCJMXMP-ZDUSSCGKSA-N 0 3 335.408 1.727 20 5 EDBDHN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN(C2CCC2)C1 ZINC000293760849 303014450 /nfs/dbraw/zinc/01/44/50/303014450.db2.gz UGVBVWGVICVVSA-CYBMUJFWSA-N 0 3 348.403 1.089 20 5 EDBDHN Cc1[nH]ncc1CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294037015 303054328 /nfs/dbraw/zinc/05/43/28/303054328.db2.gz OQUVRCYDBSWYTM-UHFFFAOYSA-N 0 3 329.360 1.584 20 5 EDBDHN C[C@@H](NC1CC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294971391 303158323 /nfs/dbraw/zinc/15/83/23/303158323.db2.gz GLNZLOVDIIJHLG-GFCCVEGCSA-N 0 3 346.387 1.020 20 5 EDBDHN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCCN(CCCO)C3)cc2N1 ZINC000295008071 303162154 /nfs/dbraw/zinc/16/21/54/303162154.db2.gz SFGKKFONUJGDOC-ZDUSSCGKSA-N 0 3 348.403 1.738 20 5 EDBDHN CC1(C)[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCO[C@H]21 ZINC000296049852 303292437 /nfs/dbraw/zinc/29/24/37/303292437.db2.gz FSFGGRRTAQSLBQ-IAOVAPTHSA-N 0 3 345.399 1.887 20 5 EDBDHN CS[C@@H]1CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424612333 304934687 /nfs/dbraw/zinc/93/46/87/304934687.db2.gz FTBHWQKLYBCQSZ-CHWSQXEVSA-N 0 3 330.431 1.852 20 5 EDBDHN NS(=O)(=O)CCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546750 305352477 /nfs/dbraw/zinc/35/24/77/305352477.db2.gz JQMITLSPVRSZIJ-ZDUSSCGKSA-N 0 3 327.406 1.453 20 5 EDBDHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000104747670 441203504 /nfs/dbraw/zinc/20/35/04/441203504.db2.gz WTAFVKLJUGXSGC-SNVBAGLBSA-N 0 3 347.824 1.820 20 5 EDBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000063523716 441335755 /nfs/dbraw/zinc/33/57/55/441335755.db2.gz YBBZFPXNBLUVSF-CQSZACIVSA-N 0 3 346.339 1.853 20 5 EDBDHN C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000064860687 441394851 /nfs/dbraw/zinc/39/48/51/441394851.db2.gz GKPVQEDMJVTRIF-NSHDSACASA-N 0 3 331.376 1.675 20 5 EDBDHN CCN1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000031264191 441519930 /nfs/dbraw/zinc/51/99/30/441519930.db2.gz KVPUQMALAQEFEW-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000067118768 441606148 /nfs/dbraw/zinc/60/61/48/441606148.db2.gz FFFMVCPBFYWKLR-LBPRGKRZSA-N 0 3 329.422 1.912 20 5 EDBDHN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CN1CCCC1 ZINC000055265431 441635380 /nfs/dbraw/zinc/63/53/80/441635380.db2.gz RXBFPBDAHKHHIE-LBPRGKRZSA-N 0 3 327.406 1.605 20 5 EDBDHN C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000055265494 441636387 /nfs/dbraw/zinc/63/63/87/441636387.db2.gz JQSSFXXFEQFLKW-LBPRGKRZSA-N 0 3 327.406 1.605 20 5 EDBDHN CNS(=O)(=O)c1ccc(NC[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000140024536 441832171 /nfs/dbraw/zinc/83/21/71/441832171.db2.gz LKWNCZDYCZPKOP-SNVBAGLBSA-N 0 3 328.394 1.009 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(NCCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC000124049771 441906985 /nfs/dbraw/zinc/90/69/85/441906985.db2.gz MTISBDRGEURGFZ-AWEZNQCLSA-N 0 3 335.408 1.653 20 5 EDBDHN CCCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150825500 441956995 /nfs/dbraw/zinc/95/69/95/441956995.db2.gz JLMIWHLCXUAEPL-UHFFFAOYSA-N 0 3 345.421 1.614 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000125230609 441999729 /nfs/dbraw/zinc/99/97/29/441999729.db2.gz JIOSAQOKNAJPQE-VHSXEESVSA-N 0 3 329.378 1.152 20 5 EDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000162409262 442091905 /nfs/dbraw/zinc/09/19/05/442091905.db2.gz NGUFRRGGKJXSPF-ZDUSSCGKSA-N 0 3 338.433 1.395 20 5 EDBDHN COc1cc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1[N+](=O)[O-] ZINC000151628207 442095614 /nfs/dbraw/zinc/09/56/14/442095614.db2.gz HSNMXVDYEFPENU-HNNXBMFYSA-N 0 3 348.403 1.346 20 5 EDBDHN O=C(CCN1CCC[C@@H](OCCO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000172298251 442438214 /nfs/dbraw/zinc/43/82/14/442438214.db2.gz CWVQMIHEPZQBDM-OAHLLOKOSA-N 0 3 337.376 1.397 20 5 EDBDHN CN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000180189183 442556338 /nfs/dbraw/zinc/55/63/38/442556338.db2.gz SDIULMZODGFRPN-HOCLYGCPSA-N 0 3 329.360 1.353 20 5 EDBDHN COc1cc(C(=O)N(C)CCN(C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000186734131 442604177 /nfs/dbraw/zinc/60/41/77/442604177.db2.gz NJXQUQBYVDWGTG-UHFFFAOYSA-N 0 3 337.376 1.778 20 5 EDBDHN NC(=O)C1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000182198350 442744707 /nfs/dbraw/zinc/74/47/07/442744707.db2.gz RPPCKOHQAOKEAQ-GFCCVEGCSA-N 0 3 337.376 1.112 20 5 EDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000182260810 442751299 /nfs/dbraw/zinc/75/12/99/442751299.db2.gz OSVXZIYUXKKFEH-LBPRGKRZSA-N 0 3 337.376 1.064 20 5 EDBDHN COc1cccc2c1CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000193729802 442775208 /nfs/dbraw/zinc/77/52/08/442775208.db2.gz QZDVPVKMNUSKQN-UHFFFAOYSA-N 0 3 343.383 1.866 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000194700605 442939857 /nfs/dbraw/zinc/93/98/57/442939857.db2.gz DKQCTZZRQNDPRJ-AWEZNQCLSA-N 0 3 329.360 1.605 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000249212560 442959992 /nfs/dbraw/zinc/95/99/92/442959992.db2.gz SRCBIWLCUCVRAU-IUODEOHRSA-N 0 3 348.403 1.640 20 5 EDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000189944065 443033718 /nfs/dbraw/zinc/03/37/18/443033718.db2.gz ODFNPKSBAUSWQL-CQSZACIVSA-N 0 3 337.420 1.751 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000268681567 443075619 /nfs/dbraw/zinc/07/56/19/443075619.db2.gz PLVORRVNFGQDEE-UHFFFAOYSA-N 0 3 341.795 1.825 20 5 EDBDHN Cc1c([C@@H](C)NCCCN2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000268897877 443140989 /nfs/dbraw/zinc/14/09/89/443140989.db2.gz KNWUJXNKLGSALI-CZUORRHYSA-N 0 3 334.420 1.894 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255715969 443108648 /nfs/dbraw/zinc/10/86/48/443108648.db2.gz WIGRSDQWPVPDHT-TWGQIWQCSA-N 0 3 346.431 1.704 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000185555404 443218593 /nfs/dbraw/zinc/21/85/93/443218593.db2.gz BZBVJVJTRMZHMU-AWEZNQCLSA-N 0 3 349.435 1.420 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185804283 443260602 /nfs/dbraw/zinc/26/06/02/443260602.db2.gz WQMSGAKFHKUOBF-GFCCVEGCSA-N 0 3 327.406 1.557 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186039290 443301974 /nfs/dbraw/zinc/30/19/74/443301974.db2.gz WNERUPMBJGFNSL-CYBMUJFWSA-N 0 3 335.408 1.742 20 5 EDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CC1CCS(=O)(=O)CC1 ZINC000282363466 443316647 /nfs/dbraw/zinc/31/66/47/443316647.db2.gz DMMHYVGDSSFGIO-UHFFFAOYSA-N 0 3 326.418 1.894 20 5 EDBDHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000269481151 443320940 /nfs/dbraw/zinc/32/09/40/443320940.db2.gz BBRKEONMIVZIBT-AWEZNQCLSA-N 0 3 344.371 1.072 20 5 EDBDHN O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000269481151 443320945 /nfs/dbraw/zinc/32/09/45/443320945.db2.gz BBRKEONMIVZIBT-AWEZNQCLSA-N 0 3 344.371 1.072 20 5 EDBDHN O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000269481151 443320948 /nfs/dbraw/zinc/32/09/48/443320948.db2.gz BBRKEONMIVZIBT-AWEZNQCLSA-N 0 3 344.371 1.072 20 5 EDBDHN CC(C)c1n[nH]c(C(=O)NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000269524690 443336202 /nfs/dbraw/zinc/33/62/02/443336202.db2.gz QXONTVLQCGRQBE-AWEZNQCLSA-N 0 3 341.437 1.608 20 5 EDBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000264730842 443395405 /nfs/dbraw/zinc/39/54/05/443395405.db2.gz IRALJKMXQHCPNL-UHFFFAOYSA-N 0 3 336.392 1.688 20 5 EDBDHN CC(C)N1CCN(C2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000270481504 443473283 /nfs/dbraw/zinc/47/32/83/443473283.db2.gz PLFQMPDQOODATI-UHFFFAOYSA-N 0 3 333.436 1.985 20 5 EDBDHN C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000272847934 443465231 /nfs/dbraw/zinc/46/52/31/443465231.db2.gz MZSPLSNYYIZGTB-MRVPVSSYSA-N 0 3 328.756 1.253 20 5 EDBDHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039632 319749136 /nfs/dbraw/zinc/74/91/36/319749136.db2.gz FUKJGXVGMWEMGC-GXTWGEPZSA-N 0 3 341.795 1.674 20 5 EDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(C2CCC2)CC1 ZINC000265011370 443508183 /nfs/dbraw/zinc/50/81/83/443508183.db2.gz UUHMTOXCXNZKFE-UHFFFAOYSA-N 0 3 329.360 1.781 20 5 EDBDHN COc1ccc(NC(=O)CN[C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000279377216 443569520 /nfs/dbraw/zinc/56/95/20/443569520.db2.gz XOFVDDRJBJEKPW-YPMHNXCESA-N 0 3 337.376 1.683 20 5 EDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1 ZINC000286029134 443629158 /nfs/dbraw/zinc/62/91/58/443629158.db2.gz KCTQGGOJQSNIOZ-CYBMUJFWSA-N 0 3 347.375 1.668 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272336399 443595656 /nfs/dbraw/zinc/59/56/56/443595656.db2.gz NPUTWDFIQXWANW-SKDRFNHKSA-N 0 3 333.344 1.536 20 5 EDBDHN CN(C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276170913 443661070 /nfs/dbraw/zinc/66/10/70/443661070.db2.gz HEGAFQZLKJPYDR-LLVKDONJSA-N 0 3 327.406 1.386 20 5 EDBDHN CN(C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000298869781 443888869 /nfs/dbraw/zinc/88/88/69/443888869.db2.gz UMVISDIUVRRPDZ-UHFFFAOYSA-N 0 3 327.406 1.748 20 5 EDBDHN CO[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1OC ZINC000276849665 443851283 /nfs/dbraw/zinc/85/12/83/443851283.db2.gz ITAYHRJVSKDRDM-GASCZTMLSA-N 0 3 337.376 1.577 20 5 EDBDHN CN1CC[C@]2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293185436 443946038 /nfs/dbraw/zinc/94/60/38/443946038.db2.gz DFJNMFWDIGYSFX-KRWDZBQOSA-N 0 3 332.404 1.875 20 5 EDBDHN CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CN1CCCC1 ZINC000277150741 443919450 /nfs/dbraw/zinc/91/94/50/443919450.db2.gz YNLZMRPBNQCSAU-UHFFFAOYSA-N 0 3 341.433 1.995 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CN(C)C)CCC1 ZINC000281636515 443965994 /nfs/dbraw/zinc/96/59/94/443965994.db2.gz VEIZARTZXBQINK-UHFFFAOYSA-N 0 3 343.405 1.366 20 5 EDBDHN CN1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293478357 444028932 /nfs/dbraw/zinc/02/89/32/444028932.db2.gz VKSUEJUYEBCCFZ-QGZVFWFLSA-N 0 3 346.387 1.478 20 5 EDBDHN CCN1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000289567036 444173507 /nfs/dbraw/zinc/17/35/07/444173507.db2.gz TXTBEJCWRCVOJP-UHFFFAOYSA-N 0 3 330.392 1.922 20 5 EDBDHN O=C1C[C@H]([C@H]2CCCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1 ZINC000305721736 444275538 /nfs/dbraw/zinc/27/55/38/444275538.db2.gz IMKLKHHMYULLIG-NUEKZKHPSA-N 0 3 333.388 1.619 20 5 EDBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290623094 444302929 /nfs/dbraw/zinc/30/29/29/444302929.db2.gz LQUUDTWBAUJMCM-TUAOUCFPSA-N 0 3 335.408 1.867 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2-n2cccn2)c1 ZINC000326405895 444374949 /nfs/dbraw/zinc/37/49/49/444374949.db2.gz OSAXSBYYLUNBJB-OAHLLOKOSA-N 0 3 342.359 1.128 20 5 EDBDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340615505 444461003 /nfs/dbraw/zinc/46/10/03/444461003.db2.gz DHYJWQMPVOGKOQ-JJMVLAAESA-N 0 3 346.387 1.569 20 5 EDBDHN N[C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CCN2C1=O ZINC000581023445 322126527 /nfs/dbraw/zinc/12/65/27/322126527.db2.gz ZTSYGYSISJHFQC-KOLCDFICSA-N 0 3 344.293 1.362 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSC[C@@H]1CO ZINC000343774649 444581971 /nfs/dbraw/zinc/58/19/71/444581971.db2.gz VNMQRPODEQBSAY-ZDUSSCGKSA-N 0 3 339.417 1.642 20 5 EDBDHN Cc1c(NC(=O)CCN2CCSC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000343720880 444544495 /nfs/dbraw/zinc/54/44/95/444544495.db2.gz BNQCGMMHBBDROD-GFCCVEGCSA-N 0 3 339.417 1.642 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000338650443 444792063 /nfs/dbraw/zinc/79/20/63/444792063.db2.gz LQXVCAOXDYJRCA-UHFFFAOYSA-N 0 3 343.343 2.351 20 5 EDBDHN O=[N+]([O-])c1ccc(NC[C@@H](O)CN2CCc3ccccc3C2)cn1 ZINC000338799060 444856636 /nfs/dbraw/zinc/85/66/36/444856636.db2.gz DQJOLDDZVNTSOP-MRXNPFEDSA-N 0 3 328.372 1.821 20 5 EDBDHN COC(=O)c1cc(C)nc(NCCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341544162 444885520 /nfs/dbraw/zinc/88/55/20/444885520.db2.gz GWUGGECTDYIZGY-LBPRGKRZSA-N 0 3 336.392 2.371 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)N(C)C1 ZINC000344492277 445008272 /nfs/dbraw/zinc/00/82/72/445008272.db2.gz GAPODJSKWDVCMJ-JKSUJKDBSA-N 0 3 335.404 1.705 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC(=O)N1CCN(C)CC1 ZINC000344793690 445143752 /nfs/dbraw/zinc/14/37/52/445143752.db2.gz OVLGCALQMWYVLG-NTCAYCPXSA-N 0 3 346.431 1.752 20 5 EDBDHN CSc1cccc(C(=O)NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000362410136 445365890 /nfs/dbraw/zinc/36/58/90/445365890.db2.gz IXGISFYLCHMUNJ-UHFFFAOYSA-N 0 3 327.406 1.625 20 5 EDBDHN CN(C)[C@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCSC1 ZINC000359740261 445402102 /nfs/dbraw/zinc/40/21/02/445402102.db2.gz QOHPUQQJWPHTQF-AWEZNQCLSA-N 0 3 327.381 1.901 20 5 EDBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000357228759 445493212 /nfs/dbraw/zinc/49/32/12/445493212.db2.gz UJNHMETUDMUXKA-UHFFFAOYSA-N 0 3 329.360 1.964 20 5 EDBDHN COc1cccc(CN(CCN(C)C)c2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000357663983 445574996 /nfs/dbraw/zinc/57/49/96/445574996.db2.gz VOZOEFWIGTYTNU-UHFFFAOYSA-N 0 3 346.391 1.544 20 5 EDBDHN COC(=O)C(C)(C)CCN[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000349969970 445737604 /nfs/dbraw/zinc/73/76/04/445737604.db2.gz GPVOAFPSXPGQOE-CQSZACIVSA-N 0 3 349.387 1.879 20 5 EDBDHN CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000373099806 446026323 /nfs/dbraw/zinc/02/63/23/446026323.db2.gz PAUWRPYNOUFQCA-WMLDXEAASA-N 0 3 343.387 1.525 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000354237822 446034086 /nfs/dbraw/zinc/03/40/86/446034086.db2.gz KVDFOIDEWLGXPG-YPMHNXCESA-N 0 3 348.403 1.695 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNC[C@@H]1C(F)F ZINC000583935209 326169430 /nfs/dbraw/zinc/16/94/30/326169430.db2.gz WTHIWVYTZSGJLB-LLVKDONJSA-N 0 3 328.319 1.381 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[C@H]1N1CCN(C)CC1 ZINC000362064147 446187124 /nfs/dbraw/zinc/18/71/24/446187124.db2.gz HRYSLVKIFBGNJR-CHWSQXEVSA-N 0 3 336.392 1.286 20 5 EDBDHN Cc1ccc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1[N+](=O)[O-] ZINC000365334267 446153464 /nfs/dbraw/zinc/15/34/64/446153464.db2.gz ILIHXVKUVKNKAK-MRXNPFEDSA-N 0 3 346.431 1.755 20 5 EDBDHN Cc1c(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000362288566 446307242 /nfs/dbraw/zinc/30/72/42/446307242.db2.gz PZZCFMMRUAQJJK-XHDPSFHLSA-N 0 3 348.359 1.978 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000411311359 446485720 /nfs/dbraw/zinc/48/57/20/446485720.db2.gz MNHBDPMIWTYKCC-ZDUSSCGKSA-N 0 3 332.360 1.148 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCNC[C@@](C)(F)C1 ZINC000420329566 446498819 /nfs/dbraw/zinc/49/88/19/446498819.db2.gz JTLIXILSODIRDL-MRXNPFEDSA-N 0 3 338.383 1.865 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000420432223 446607664 /nfs/dbraw/zinc/60/76/64/446607664.db2.gz BEHBJFWRYGCERX-MRVPVSSYSA-N 0 3 335.357 1.148 20 5 EDBDHN CN1C(=O)N[C@]2(CCC[C@@H]2CNCc2ccccc2[N+](=O)[O-])C1=O ZINC000371092145 446623752 /nfs/dbraw/zinc/62/37/52/446623752.db2.gz ZFFKNBWKWKVXRB-WBMJQRKESA-N 0 3 332.360 1.405 20 5 EDBDHN COc1cccc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000376921947 446799697 /nfs/dbraw/zinc/79/96/97/446799697.db2.gz GWGNZZYSBXNRLJ-AWEZNQCLSA-N 0 3 348.403 1.522 20 5 EDBDHN O=C1[C@H](N[C@@H](CO)[C@H]2CCCOC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411999281 446779955 /nfs/dbraw/zinc/77/99/55/446779955.db2.gz XGWSZLCXILDLKN-MAZHCROVSA-N 0 3 349.387 1.077 20 5 EDBDHN C[C@H]1[C@@H](CO)CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000412067538 446829604 /nfs/dbraw/zinc/82/96/04/446829604.db2.gz DTXSBARSWLRTPT-QWHCGFSZSA-N 0 3 349.387 1.986 20 5 EDBDHN O=C(C1CCN(C2CC2)CC1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375734568 447010119 /nfs/dbraw/zinc/01/01/19/447010119.db2.gz GBJAPUJURIUAQP-OAHLLOKOSA-N 0 3 347.419 1.829 20 5 EDBDHN COc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000377480321 447151745 /nfs/dbraw/zinc/15/17/45/447151745.db2.gz CHNPVBWUQNAXOS-QWHCGFSZSA-N 0 3 335.360 1.196 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCc2nnnn2CC1 ZINC000421403761 447152135 /nfs/dbraw/zinc/15/21/35/447152135.db2.gz XQHKODCPXVOEQA-LBPRGKRZSA-N 0 3 332.364 1.475 20 5 EDBDHN O=C(CCN1CCC[C@@H](n2ccnn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425500646 447195608 /nfs/dbraw/zinc/19/56/08/447195608.db2.gz DGRVIHPPAHLYKF-CYBMUJFWSA-N 0 3 344.375 1.852 20 5 EDBDHN CCN1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@H]1C ZINC000455742159 447219675 /nfs/dbraw/zinc/21/96/75/447219675.db2.gz YHPSMGMBZBLSMB-NEPJUHHUSA-N 0 3 335.408 1.976 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2CCCO)c1 ZINC000450597533 447535137 /nfs/dbraw/zinc/53/51/37/447535137.db2.gz PBMGXWDSCBSQNH-CYBMUJFWSA-N 0 3 337.376 1.640 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000420014713 447546404 /nfs/dbraw/zinc/54/64/04/447546404.db2.gz LCDVOKRLFPMONB-AWEZNQCLSA-N 0 3 329.784 1.681 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCNCc1cccnc1 ZINC000420182735 447659179 /nfs/dbraw/zinc/65/91/79/447659179.db2.gz KFTFIGPWQICZHK-UHFFFAOYSA-N 0 3 343.387 1.941 20 5 EDBDHN CC(COC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)[N+](=O)[O-] ZINC000496827830 447947368 /nfs/dbraw/zinc/94/73/68/447947368.db2.gz LWKUWASLPVOUAP-SNVBAGLBSA-N 0 3 339.348 1.928 20 5 EDBDHN COc1cc(C(=O)NC[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1OC ZINC000525055347 447965563 /nfs/dbraw/zinc/96/55/63/447965563.db2.gz PZLSIPKGQFOWSD-LLVKDONJSA-N 0 3 337.376 1.684 20 5 EDBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1C ZINC000525032174 447966085 /nfs/dbraw/zinc/96/60/85/447966085.db2.gz VMQAOCVRUCMCJU-QWRGUYRKSA-N 0 3 335.360 1.878 20 5 EDBDHN C[C@H](CCCO)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576399314 448044975 /nfs/dbraw/zinc/04/49/75/448044975.db2.gz KHTHJKHDWSVRPO-GFCCVEGCSA-N 0 3 330.406 1.367 20 5 EDBDHN C[C@@]1(F)CNCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000591442225 448364592 /nfs/dbraw/zinc/36/45/92/448364592.db2.gz YZEPWFMVGWDYTD-LLVKDONJSA-N 0 3 333.161 1.890 20 5 EDBDHN C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000565371128 448366246 /nfs/dbraw/zinc/36/62/46/448366246.db2.gz BVDTWRIOHMCWRJ-RISCZKNCSA-N 0 3 343.387 1.993 20 5 EDBDHN C[C@@H]1C[C@@H]1N1C[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000577741609 448374880 /nfs/dbraw/zinc/37/48/80/448374880.db2.gz RXBDEJFFOFQYOP-JMSVASOKSA-N 0 3 346.387 1.522 20 5 EDBDHN COc1cccc(C(=O)Nc2cnc3c(c2)CNCC3)c1[N+](=O)[O-] ZINC000591681335 448448731 /nfs/dbraw/zinc/44/87/31/448448731.db2.gz IDFBNCIBFNLUID-UHFFFAOYSA-N 0 3 328.328 1.896 20 5 EDBDHN O=C1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCCN12 ZINC000517025629 448526216 /nfs/dbraw/zinc/52/62/16/448526216.db2.gz ALHHQTJSQHICNC-MELADBBJSA-N 0 3 349.387 1.078 20 5 EDBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573264537 448583823 /nfs/dbraw/zinc/58/38/23/448583823.db2.gz BGKXGRYZSUIYBK-LBPRGKRZSA-N 0 3 335.408 1.812 20 5 EDBDHN Cc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000518123045 448646903 /nfs/dbraw/zinc/64/69/03/448646903.db2.gz KHNKSWWCYQDJPX-UHFFFAOYSA-N 0 3 333.348 1.819 20 5 EDBDHN Cc1cc(NC(=O)c2c[n-]nc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000518123045 448646908 /nfs/dbraw/zinc/64/69/08/448646908.db2.gz KHNKSWWCYQDJPX-UHFFFAOYSA-N 0 3 333.348 1.819 20 5 EDBDHN C[C@@H](C(=O)NC[C@H](O)CN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519740090 448830185 /nfs/dbraw/zinc/83/01/85/448830185.db2.gz OLTCWWLZWRQWJA-PBHICJAKSA-N 0 3 349.431 1.907 20 5 EDBDHN CNc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000520359522 448888030 /nfs/dbraw/zinc/88/80/30/448888030.db2.gz KCCBWEZKPWKDBI-UHFFFAOYSA-N 0 3 349.435 1.346 20 5 EDBDHN Cc1c(CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588861936 448941916 /nfs/dbraw/zinc/94/19/16/448941916.db2.gz ZKYNVBGRVHWZMI-LSDHHAIUSA-N 0 3 333.388 1.113 20 5 EDBDHN CCc1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864002 448943046 /nfs/dbraw/zinc/94/30/46/448943046.db2.gz VTXUINDPORQELZ-GJZGRUSLSA-N 0 3 333.388 1.438 20 5 EDBDHN C[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CN1C1CC1 ZINC000589584217 449034900 /nfs/dbraw/zinc/03/49/00/449034900.db2.gz KFMPIFCFZWHNTG-WDEREUQCSA-N 0 3 345.403 1.822 20 5 EDBDHN CCN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000522265441 449071331 /nfs/dbraw/zinc/07/13/31/449071331.db2.gz DHJIRVFXEOMJAW-UHFFFAOYSA-N 0 3 337.424 1.081 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)c1c(N)cccc1[N+](=O)[O-])CCO2 ZINC000592900348 449043726 /nfs/dbraw/zinc/04/37/26/449043726.db2.gz ZTXUQJFLPWSFED-UHFFFAOYSA-N 0 3 334.376 1.114 20 5 EDBDHN CCOc1ccc(NC(=O)CN2CC[C@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000590010821 449096430 /nfs/dbraw/zinc/09/64/30/449096430.db2.gz ZOKMTNZFBQJPRR-LRDDRELGSA-N 0 3 348.403 1.568 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000590012821 449098462 /nfs/dbraw/zinc/09/84/62/449098462.db2.gz ZFOHESSJZRIQOC-JSGCOSHPSA-N 0 3 329.360 1.781 20 5 EDBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@H]1CCN(C)C1 ZINC000597946943 449155186 /nfs/dbraw/zinc/15/51/86/449155186.db2.gz SVBDOXMFLCHNNB-AWEZNQCLSA-N 0 3 343.387 1.947 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@H]2C1 ZINC000590443001 449163727 /nfs/dbraw/zinc/16/37/27/449163727.db2.gz CXGIYGIYMLZSNQ-MFKMUULPSA-N 0 3 333.344 1.142 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000590592009 449208271 /nfs/dbraw/zinc/20/82/71/449208271.db2.gz YRJVNHHLGAQZBP-NSHDSACASA-N 0 3 345.396 1.757 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3ccccn3)C2)c1 ZINC000590602842 449216573 /nfs/dbraw/zinc/21/65/73/449216573.db2.gz YYGHKESAMOYROR-DZGCQCFKSA-N 0 3 331.376 1.427 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3ccccn3)C2)c1 ZINC000590602845 449217440 /nfs/dbraw/zinc/21/74/40/449217440.db2.gz YYGHKESAMOYROR-ZFWWWQNUSA-N 0 3 331.376 1.427 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)C1 ZINC000598342555 449356462 /nfs/dbraw/zinc/35/64/62/449356462.db2.gz KNXMVHPEXXUXEI-CQSZACIVSA-N 0 3 349.387 1.986 20 5 EDBDHN CCCN1CC[C@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342091 449356718 /nfs/dbraw/zinc/35/67/18/449356718.db2.gz DYGMSRYACVJXLB-JSGCOSHPSA-N 0 3 348.403 1.314 20 5 EDBDHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000600662604 449477809 /nfs/dbraw/zinc/47/78/09/449477809.db2.gz NIWYWEBNDNUFHR-SDDRHHMPSA-N 0 3 337.380 1.032 20 5 EDBDHN CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)c2n[n-]cc2[N+](=O)[O-])C1 ZINC000600662604 449477815 /nfs/dbraw/zinc/47/78/15/449477815.db2.gz NIWYWEBNDNUFHR-SDDRHHMPSA-N 0 3 337.380 1.032 20 5 EDBDHN CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)c2n[n-]cc2[N+](=O)[O-])C1 ZINC000600662604 449477820 /nfs/dbraw/zinc/47/78/20/449477820.db2.gz NIWYWEBNDNUFHR-SDDRHHMPSA-N 0 3 337.380 1.032 20 5 EDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@@H]21 ZINC000594765583 449677732 /nfs/dbraw/zinc/67/77/32/449677732.db2.gz XBEYXFHDEAGBQL-NEPJUHHUSA-N 0 3 340.405 1.095 20 5 EDBDHN CN1CCN(CC2CN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000599104145 449735089 /nfs/dbraw/zinc/73/50/89/449735089.db2.gz FDZJQNGMUQESMU-UHFFFAOYSA-N 0 3 325.800 1.327 20 5 EDBDHN C[C@@H](CCCCO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612574222 449781095 /nfs/dbraw/zinc/78/10/95/449781095.db2.gz GZHQQTSJTJHNKQ-LBPRGKRZSA-N 0 3 330.406 1.509 20 5 EDBDHN CC[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000599107208 449740528 /nfs/dbraw/zinc/74/05/28/449740528.db2.gz KJWXSHQGERXEPJ-WDEREUQCSA-N 0 3 347.368 1.161 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000602797121 449816652 /nfs/dbraw/zinc/81/66/52/449816652.db2.gz GUPTZTULBUWRQD-CQSZACIVSA-N 0 3 338.408 1.617 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c([N+](=O)[O-])s1 ZINC000601369461 449884259 /nfs/dbraw/zinc/88/42/59/449884259.db2.gz NREUVSYJORBAFF-SCZZXKLOSA-N 0 3 333.435 1.535 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595192516 449935242 /nfs/dbraw/zinc/93/52/42/449935242.db2.gz JPCOMJVUDSDVAG-CYBMUJFWSA-N 0 3 334.376 1.442 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000601422809 449941573 /nfs/dbraw/zinc/94/15/73/449941573.db2.gz ZVWGDJCMAYCLTF-CHWSQXEVSA-N 0 3 341.433 1.925 20 5 EDBDHN CS[C@@H]1CN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000602950570 449952476 /nfs/dbraw/zinc/95/24/76/449952476.db2.gz FVDNHCFWNWASRE-VXGBXAGGSA-N 0 3 339.421 1.229 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCCCN(C)C1 ZINC000599412156 449957982 /nfs/dbraw/zinc/95/79/82/449957982.db2.gz GILPKGDLGKMDHZ-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN CN1CCCC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599415249 449961439 /nfs/dbraw/zinc/96/14/39/449961439.db2.gz LVYMQXLMFYAOCH-AWEZNQCLSA-N 0 3 341.433 1.746 20 5 EDBDHN COCCN1CCC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000609268877 449996000 /nfs/dbraw/zinc/99/60/00/449996000.db2.gz HCHRJCPEQRMIPA-ZDUSSCGKSA-N 0 3 336.392 1.234 20 5 EDBDHN COc1cc(C(=O)N2CCC[C@](O)(CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000597574630 450118373 /nfs/dbraw/zinc/11/83/73/450118373.db2.gz RFYOSPDTAFHOGC-INIZCTEOSA-N 0 3 337.376 1.132 20 5 EDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000610264721 450175040 /nfs/dbraw/zinc/17/50/40/450175040.db2.gz MJLGODPNAMYBEY-RYUDHWBXSA-N 0 3 342.421 1.483 20 5 EDBDHN CN1CCC[C@@H](N2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000618584527 450253037 /nfs/dbraw/zinc/25/30/37/450253037.db2.gz SVLWKFUFZAZGHJ-CQSZACIVSA-N 0 3 344.419 1.687 20 5 EDBDHN CCC[C@@H]1CN(C(=O)c2[n-]nc(C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000270925924 535434468 /nfs/dbraw/zinc/43/44/68/535434468.db2.gz GABKLMYNCLRUIU-GFCCVEGCSA-N 0 3 339.396 1.199 20 5 EDBDHN CCC[C@@H]1CN(C(=O)c2[n-]nc(C)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000270925924 535434474 /nfs/dbraw/zinc/43/44/74/535434474.db2.gz GABKLMYNCLRUIU-GFCCVEGCSA-N 0 3 339.396 1.199 20 5 EDBDHN CCO[C@H]1C[C@](N)(C(=O)NCCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000262365248 535650283 /nfs/dbraw/zinc/65/02/83/535650283.db2.gz HPOLPIHPZSQGLK-YOEHRIQHSA-N 0 3 335.404 1.786 20 5 EDBDHN COC[C@@H](Cc1ccccc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248960425 536646246 /nfs/dbraw/zinc/64/62/46/536646246.db2.gz BCCUBAKBOIHZIB-WBVHZDCISA-N 0 3 348.403 1.342 20 5 EDBDHN C[C@@H]1CCCN1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000742236721 579444113 /nfs/dbraw/zinc/44/41/13/579444113.db2.gz DUHOMHGMSSXZID-CYBMUJFWSA-N 0 3 343.387 1.995 20 5 EDBDHN CN(C)CCOC1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000733157297 578744496 /nfs/dbraw/zinc/74/44/96/578744496.db2.gz YYHALYILJLPEOW-UHFFFAOYSA-N 0 3 336.392 1.360 20 5 EDBDHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736265351 578970141 /nfs/dbraw/zinc/97/01/41/578970141.db2.gz IHWSTPAHCGBNHN-MNOVXSKESA-N 0 3 346.395 1.702 20 5 EDBDHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736265351 578970142 /nfs/dbraw/zinc/97/01/42/578970142.db2.gz IHWSTPAHCGBNHN-MNOVXSKESA-N 0 3 346.395 1.702 20 5 EDBDHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736265351 578970143 /nfs/dbraw/zinc/97/01/43/578970143.db2.gz IHWSTPAHCGBNHN-MNOVXSKESA-N 0 3 346.395 1.702 20 5 EDBDHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736265351 578970144 /nfs/dbraw/zinc/97/01/44/578970144.db2.gz IHWSTPAHCGBNHN-MNOVXSKESA-N 0 3 346.395 1.702 20 5 EDBDHN CC(C)CN1CCO[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749695267 579735787 /nfs/dbraw/zinc/73/57/87/579735787.db2.gz ZFUWZLXQJOWFJB-SJORKVTESA-N 0 3 337.420 1.575 20 5 EDBDHN Cc1nn(CN2CCN(CC(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749935852 579744221 /nfs/dbraw/zinc/74/42/21/579744221.db2.gz AEEAXIOIYCRYPH-UHFFFAOYSA-N 0 3 332.408 1.879 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NCCN2CCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000773197324 580330196 /nfs/dbraw/zinc/33/01/96/580330196.db2.gz IGMZZHVPYXVVBS-LBPRGKRZSA-N 0 3 349.387 1.986 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NCCN2CCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000773197323 580330227 /nfs/dbraw/zinc/33/02/27/580330227.db2.gz IGMZZHVPYXVVBS-GFCCVEGCSA-N 0 3 349.387 1.986 20 5 EDBDHN CC(C)N1CCO[C@@H](C(=N)NOCc2c(F)cccc2[N+](=O)[O-])C1 ZINC000779654191 580493424 /nfs/dbraw/zinc/49/34/24/580493424.db2.gz ZEKIHSNSWOYUEC-CQSZACIVSA-N 0 3 340.355 1.842 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@]12CCCO2 ZINC000781424828 580549268 /nfs/dbraw/zinc/54/92/68/580549268.db2.gz ZLKQNNGYGYYSPN-NXOAAHMSSA-N 0 3 336.388 1.944 20 5 EDBDHN CNC(=O)[C@]1(C)CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000797416151 580975133 /nfs/dbraw/zinc/97/51/33/580975133.db2.gz YNNPCAHVDCWGCW-MRXNPFEDSA-N 0 3 331.376 1.668 20 5 EDBDHN COc1cc([N+](=O)[O-])cnc1N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000892561029 591072619 /nfs/dbraw/zinc/07/26/19/591072619.db2.gz LPWDQCPGFAXLRJ-CYBMUJFWSA-N 0 3 335.408 1.215 20 5 EDBDHN CCO[C@H](CNc1cc(OC)c(OC)cc1[N+](=O)[O-])CN(C)C ZINC000896118514 591350569 /nfs/dbraw/zinc/35/05/69/591350569.db2.gz ZWZPYVKXXWRFMO-LLVKDONJSA-N 0 3 327.381 1.991 20 5 EDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)C1CN(C2CCOCC2)C1 ZINC000896279593 591407748 /nfs/dbraw/zinc/40/77/48/591407748.db2.gz BYEJRMPGNUMWKA-UHFFFAOYSA-N 0 3 349.387 1.201 20 5 EDBDHN C[C@H](NC(=O)C1CN(C2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897307013 591827750 /nfs/dbraw/zinc/82/77/50/591827750.db2.gz FVIDQCXVRANOST-LBPRGKRZSA-N 0 3 333.388 1.883 20 5 EDBDHN CNCCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000903588317 592223430 /nfs/dbraw/zinc/22/34/30/592223430.db2.gz IVIUCTVYWRHLDU-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813104631 593517647 /nfs/dbraw/zinc/51/76/47/593517647.db2.gz FNCVOQOMZNOKGM-NXEZZACHSA-N 0 3 326.736 1.901 20 5 EDBDHN CC(=O)N[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(F)cc1F ZINC000813109186 593518094 /nfs/dbraw/zinc/51/80/94/593518094.db2.gz PCTVBBAAFDOSRK-ISVAXAHUSA-N 0 3 330.287 1.741 20 5 EDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc2ncccc21 ZINC000813111837 593518472 /nfs/dbraw/zinc/51/84/72/593518472.db2.gz ATFRRNNQAFNJBJ-SNVBAGLBSA-N 0 3 341.327 1.946 20 5 EDBDHN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113877 593518872 /nfs/dbraw/zinc/51/88/72/593518872.db2.gz VRJKAVZWCTVZQC-LLVKDONJSA-N 0 3 342.373 1.357 20 5 EDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813115802 593519123 /nfs/dbraw/zinc/51/91/23/593519123.db2.gz ZUPUTTZLWUEFPD-YPMHNXCESA-N 0 3 338.335 1.886 20 5 EDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813115800 593519179 /nfs/dbraw/zinc/51/91/79/593519179.db2.gz ZUPUTTZLWUEFPD-DGCLKSJQSA-N 0 3 338.335 1.886 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000816953694 593563302 /nfs/dbraw/zinc/56/33/02/593563302.db2.gz MFIITCGFQONNMJ-BMIGLBTASA-N 0 3 336.367 1.576 20 5 EDBDHN C[C@@H]1CC[C@@H](O)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000817288004 593589354 /nfs/dbraw/zinc/58/93/54/593589354.db2.gz GKXWBCXFDPKCKK-ZYHUDNBSSA-N 0 3 325.340 1.908 20 5 EDBDHN CN(CCO)CCN(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000825527444 594197602 /nfs/dbraw/zinc/19/76/02/594197602.db2.gz ONGVXANUDJIVKP-UHFFFAOYSA-N 0 3 343.811 1.563 20 5 EDBDHN C[NH+]1CCC(C)(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826021906 594308092 /nfs/dbraw/zinc/30/80/92/594308092.db2.gz DOABJWQWAAPLKP-UHFFFAOYSA-N 0 3 332.368 1.314 20 5 EDBDHN C[NH+]1CCC(C)(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826021906 594308093 /nfs/dbraw/zinc/30/80/93/594308093.db2.gz DOABJWQWAAPLKP-UHFFFAOYSA-N 0 3 332.368 1.314 20 5 EDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000826226565 594386635 /nfs/dbraw/zinc/38/66/35/594386635.db2.gz BRDGTIXFRJRTFJ-CHWSQXEVSA-N 0 3 349.420 1.257 20 5 EDBDHN CN1CCN(C2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)CC1 ZINC000827435077 594671787 /nfs/dbraw/zinc/67/17/87/594671787.db2.gz AGEWRKWHSKQISG-UHFFFAOYSA-N 0 3 326.441 1.060 20 5 EDBDHN CCO[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000831777323 594702200 /nfs/dbraw/zinc/70/22/00/594702200.db2.gz WWMRPHVJBXASAQ-CYBMUJFWSA-N 0 3 341.433 1.770 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000842250990 595055174 /nfs/dbraw/zinc/05/51/74/595055174.db2.gz MPCXCGDHZKMGNQ-AWEZNQCLSA-N 0 3 329.784 1.681 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CC2(CC([NH3+])C2)C1 ZINC000842795684 595202273 /nfs/dbraw/zinc/20/22/73/595202273.db2.gz ULJJRSJHWWVMDY-UHFFFAOYSA-N 0 3 341.389 1.152 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H](O)c2ccccn2)c1 ZINC000843091743 595285102 /nfs/dbraw/zinc/28/51/02/595285102.db2.gz ANMMXXDOFASVRN-XJKSGUPXSA-N 0 3 333.344 1.053 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860375356 595661791 /nfs/dbraw/zinc/66/17/91/595661791.db2.gz JDDYLXHHSVQJRQ-QGZVFWFLSA-N 0 3 331.372 1.790 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000858632644 595851355 /nfs/dbraw/zinc/85/13/55/595851355.db2.gz PMONBSUXFMEPJU-UWVGGRQHSA-N 0 3 347.824 1.975 20 5 EDBDHN O=c1ccc([C@@H]2OCC[C@H]2NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000859880719 596214641 /nfs/dbraw/zinc/21/46/41/596214641.db2.gz UENGHDLZOWPIQQ-VYDXJSESSA-N 0 3 345.355 1.849 20 5 EDBDHN C[C@](N)(C(=O)N1CC[C@@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870879792 596387433 /nfs/dbraw/zinc/38/74/33/596387433.db2.gz NVLKNENQWOVHIF-NVXWUHKLSA-N 0 3 332.404 1.465 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000869785775 596637032 /nfs/dbraw/zinc/63/70/32/596637032.db2.gz DMLAIJSWRKNEMW-PODYEWJSSA-N 0 3 333.388 1.569 20 5 EDBDHN Cc1cc(C(=O)NCCCNCc2cccnc2)c(N)c([N+](=O)[O-])c1 ZINC000120847241 596756514 /nfs/dbraw/zinc/75/65/14/596756514.db2.gz KVSWGVXIXVUHST-UHFFFAOYSA-N 0 3 343.387 1.790 20 5 EDBDHN O=C(CN[C@]12CCC[C@H]1OCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000872314876 596878917 /nfs/dbraw/zinc/87/89/17/596878917.db2.gz QTYWPROLBKTNMS-WBVHZDCISA-N 0 3 331.372 1.785 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000872781316 597065229 /nfs/dbraw/zinc/06/52/29/597065229.db2.gz RUWGFECQIXPXEY-OLZOCXBDSA-N 0 3 334.376 1.758 20 5 EDBDHN COc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c([N+](=O)[O-])cc1OC ZINC000874847263 597198655 /nfs/dbraw/zinc/19/86/55/597198655.db2.gz NOMNBRGBQAKTMU-OLZOCXBDSA-N 0 3 349.387 1.921 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877720935 597551064 /nfs/dbraw/zinc/55/10/64/597551064.db2.gz XGHKOBWLQPNLTQ-GQIURRLGSA-N 0 3 329.356 1.545 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880582504 597970310 /nfs/dbraw/zinc/97/03/10/597970310.db2.gz OVIVHZKGXNYSNL-JKSUJKDBSA-N 0 3 336.388 1.492 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000880582852 597970413 /nfs/dbraw/zinc/97/04/13/597970413.db2.gz SIADTAXCDSZMEU-HOTGVXAUSA-N 0 3 336.388 1.492 20 5 EDBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738370953 598499757 /nfs/dbraw/zinc/49/97/57/598499757.db2.gz YLDBUURNVPKMMP-NSHDSACASA-N 0 3 344.379 1.235 20 5 EDBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738370953 598499759 /nfs/dbraw/zinc/49/97/59/598499759.db2.gz YLDBUURNVPKMMP-NSHDSACASA-N 0 3 344.379 1.235 20 5 EDBDHN CN1CCN(CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000071819014 702918883 /nfs/dbraw/zinc/91/88/83/702918883.db2.gz JYOCPRRWGDHUOJ-UHFFFAOYSA-N 0 3 340.811 1.616 20 5 EDBDHN CCN1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000412852328 304041765 /nfs/dbraw/zinc/04/17/65/304041765.db2.gz WZCCMNMFXYIQDG-GFCCVEGCSA-N 0 3 344.371 1.732 20 5 EDBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563443099 306333424 /nfs/dbraw/zinc/33/34/24/306333424.db2.gz VZKHSQRQOXYCET-HUUCEWRRSA-N 0 3 348.403 1.126 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCCC[C@H]1C ZINC000041663430 138103414 /nfs/dbraw/zinc/10/34/14/138103414.db2.gz YWSFOWGAKVCXAX-CYBMUJFWSA-N 0 3 348.403 1.832 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCN(c2ccccc2)CC1 ZINC000131289530 138356524 /nfs/dbraw/zinc/35/65/24/138356524.db2.gz DBHPVSJDRZROAW-UHFFFAOYSA-N 0 3 342.399 1.969 20 5 EDBDHN Cc1cc(Sc2nnnn2C[C@@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC000131935030 138368322 /nfs/dbraw/zinc/36/83/22/138368322.db2.gz XIJDMCWXJCAMPX-SNVBAGLBSA-N 0 3 335.393 1.388 20 5 EDBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)N1CCN(C)CC1 ZINC000298422762 202314190 /nfs/dbraw/zinc/31/41/90/202314190.db2.gz LDSOAHNCSKSYAJ-AWEZNQCLSA-N 0 3 348.407 1.815 20 5 EDBDHN Cn1cc(CNCCN2CCCC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000565098638 306375530 /nfs/dbraw/zinc/37/55/30/306375530.db2.gz MXHAHGLTJWUARQ-UHFFFAOYSA-N 0 3 343.387 1.707 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@@H]2N(C)C)cc1C ZINC000414460949 304116202 /nfs/dbraw/zinc/11/62/02/304116202.db2.gz DULVICSSIQZOKY-STQMWFEESA-N 0 3 341.433 1.973 20 5 EDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000566092692 306398715 /nfs/dbraw/zinc/39/87/15/306398715.db2.gz DMYOPCDRLWAAPF-GXTWGEPZSA-N 0 3 332.335 1.639 20 5 EDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000110066331 204301466 /nfs/dbraw/zinc/30/14/66/204301466.db2.gz WVDYAENFQMNTJB-GFCCVEGCSA-N 0 3 344.371 1.603 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000245585355 139080217 /nfs/dbraw/zinc/08/02/17/139080217.db2.gz LWIAVHIHKHOTNT-WMLDXEAASA-N 0 3 346.431 1.705 20 5 EDBDHN CCc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000160207180 206285337 /nfs/dbraw/zinc/28/53/37/206285337.db2.gz LMTQZVVAXZYYAK-HNNXBMFYSA-N 0 3 335.404 1.734 20 5 EDBDHN COc1ccc(OCC(=O)NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000247923967 139155665 /nfs/dbraw/zinc/15/56/65/139155665.db2.gz POYHTLJBIBWRPL-UHFFFAOYSA-N 0 3 349.387 1.725 20 5 EDBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248418097 139162847 /nfs/dbraw/zinc/16/28/47/139162847.db2.gz KAZYOGFPTWCGHB-UTUOFQBUSA-N 0 3 335.408 1.668 20 5 EDBDHN COC(=O)c1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174724483 207050857 /nfs/dbraw/zinc/05/08/57/207050857.db2.gz MSRNTWLFBCIALJ-HNNXBMFYSA-N 0 3 348.359 1.071 20 5 EDBDHN C[C@H]1NCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262917074 139312672 /nfs/dbraw/zinc/31/26/72/139312672.db2.gz ZADFOOCZMMMCRG-NEPJUHHUSA-N 0 3 329.360 1.603 20 5 EDBDHN CN1CCN(CCCCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000490578441 255093363 /nfs/dbraw/zinc/09/33/63/255093363.db2.gz XSUJVRZIADZULX-FPLPWBNLSA-N 0 3 346.431 1.752 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000493259765 255200014 /nfs/dbraw/zinc/20/00/14/255200014.db2.gz BHDGDJYLRTXKRN-DZEZYYDTSA-N 0 3 341.371 1.295 20 5 EDBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCn1cccn1 ZINC000117341111 221055580 /nfs/dbraw/zinc/05/55/80/221055580.db2.gz RYIGZTJMYBCGTP-UHFFFAOYSA-N 0 3 345.359 1.721 20 5 EDBDHN O=[N+]([O-])c1ccc(CNC[C@]2(N3CCOCC3)CCCOC2)cc1 ZINC000378145964 296504112 /nfs/dbraw/zinc/50/41/12/296504112.db2.gz COFCSTMNJDQZEF-QGZVFWFLSA-N 0 3 335.404 1.566 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)N(C)C1 ZINC000345144377 143056889 /nfs/dbraw/zinc/05/68/89/143056889.db2.gz ZDNVGKIVLFQANK-OLZOCXBDSA-N 0 3 334.376 1.887 20 5 EDBDHN C[C@H]1CSC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000352802123 149171996 /nfs/dbraw/zinc/17/19/96/149171996.db2.gz LONMQNKSNJLNFX-WCBMZHEXSA-N 0 3 339.373 1.603 20 5 EDBDHN COc1ccc(NC(=O)CN[C@H]2CSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000352819187 149179770 /nfs/dbraw/zinc/17/97/70/149179770.db2.gz VVRCAVQMHPQJAV-CABZTGNLSA-N 0 3 325.390 1.883 20 5 EDBDHN O=C1NC(=O)C2(CCC(NCc3ccc([N+](=O)[O-])cc3F)CC2)N1 ZINC000353088242 149281605 /nfs/dbraw/zinc/28/16/05/149281605.db2.gz PCENZZUYQJOOHI-UHFFFAOYSA-N 0 3 336.323 1.344 20 5 EDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2n[nH]cc2c1 ZINC000353284397 149351498 /nfs/dbraw/zinc/35/14/98/149351498.db2.gz DVDPBEAXEZXZEN-HZMBPMFUSA-N 0 3 330.348 1.379 20 5 EDBDHN CN(C)CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000354998601 150070577 /nfs/dbraw/zinc/07/05/77/150070577.db2.gz WOPBOFOHWFYTIZ-UHFFFAOYSA-N 0 3 346.387 1.836 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1-c1nc(CC2=N[C@@H]3CCCC[C@H]3N2)no1 ZINC000357953537 151208814 /nfs/dbraw/zinc/20/88/14/151208814.db2.gz GGFRUKOAPIZADP-RKDXNWHRSA-N 0 3 331.336 1.234 20 5 EDBDHN O=[N+]([O-])c1ccn(Cc2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)n1 ZINC000357955291 151208890 /nfs/dbraw/zinc/20/88/90/151208890.db2.gz WXVZRTWARUEXRL-NXEZZACHSA-N 0 3 331.336 1.078 20 5 EDBDHN CN1CC[C@@](O)(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358128754 151281813 /nfs/dbraw/zinc/28/18/13/151281813.db2.gz COXIZBOBWIXQCI-MRXNPFEDSA-N 0 3 348.428 1.875 20 5 EDBDHN O=C(CCN1CCc2n[nH]c(=O)cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000360448101 152048773 /nfs/dbraw/zinc/04/87/73/152048773.db2.gz YUZNMLKRTMAOLQ-UHFFFAOYSA-N 0 3 343.343 1.477 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](N)C1 ZINC000364208973 153174195 /nfs/dbraw/zinc/17/41/95/153174195.db2.gz MPMSAFOKRBWRNH-UONOGXRCSA-N 0 3 347.350 1.192 20 5 EDBDHN NC1(C(=O)NCCc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000364250361 153186774 /nfs/dbraw/zinc/18/67/74/153186774.db2.gz MZQXXFNXCSGKRH-UHFFFAOYSA-N 0 3 325.368 1.750 20 5 EDBDHN COCCCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000364985850 153391237 /nfs/dbraw/zinc/39/12/37/153391237.db2.gz DDFMYJNKCZGFQW-UHFFFAOYSA-N 0 3 336.392 1.361 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](NCc3ccccc3)C2)n1 ZINC000367395942 154105328 /nfs/dbraw/zinc/10/53/28/154105328.db2.gz DZAJEBMHXQQEFS-AWEZNQCLSA-N 0 3 343.387 1.723 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1 ZINC000374066004 157127534 /nfs/dbraw/zinc/12/75/34/157127534.db2.gz DDTIUJBDFJXIMA-WCXIOVBPSA-N 0 3 336.388 1.490 20 5 EDBDHN CN1CCN(CC2(C)CCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000376927206 157851827 /nfs/dbraw/zinc/85/18/27/157851827.db2.gz NGJNMPQZDPPBIY-UHFFFAOYSA-N 0 3 334.424 1.239 20 5 EDBDHN CCOC(=O)COCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000352365245 162142504 /nfs/dbraw/zinc/14/25/04/162142504.db2.gz PHRKHYFFKZKADC-UHFFFAOYSA-N 0 3 326.353 1.008 20 5 EDBDHN CN(CCN1CCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000089900285 287324756 /nfs/dbraw/zinc/32/47/56/287324756.db2.gz UVNDDOOZTYMSCA-UHFFFAOYSA-N 0 3 332.404 1.512 20 5 EDBDHN CC[C@H](N)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000236930061 267920982 /nfs/dbraw/zinc/92/09/82/267920982.db2.gz PMJVINAATJNZCN-STQMWFEESA-N 0 3 337.376 1.831 20 5 EDBDHN Cc1ccc(S(=O)(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000275478128 268348690 /nfs/dbraw/zinc/34/86/90/268348690.db2.gz NDHVHUMBJLEFMD-UHFFFAOYSA-N 0 3 327.406 1.666 20 5 EDBDHN COc1ccccc1-n1nccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000281409413 273470123 /nfs/dbraw/zinc/47/01/23/273470123.db2.gz IEAOAHDCUNJKGY-UHFFFAOYSA-N 0 3 342.359 1.775 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)N(C)C1 ZINC000284541515 274238716 /nfs/dbraw/zinc/23/87/16/274238716.db2.gz GAPODJSKWDVCMJ-HOTGVXAUSA-N 0 3 335.404 1.705 20 5 EDBDHN CCOc1cc(CN2CCO[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000284818522 274345028 /nfs/dbraw/zinc/34/50/28/274345028.db2.gz LMTHXFDRFBSGBE-HOTGVXAUSA-N 0 3 335.404 1.898 20 5 EDBDHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000285418549 274535903 /nfs/dbraw/zinc/53/59/03/274535903.db2.gz GNWSXGHQMSEQCJ-OCCSQVGLSA-N 0 3 341.433 1.792 20 5 EDBDHN CCNC(=O)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000339319412 276263305 /nfs/dbraw/zinc/26/33/05/276263305.db2.gz GAPXSHYDHWXHPA-SWLSCSKDSA-N 0 3 339.392 1.085 20 5 EDBDHN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000286831152 288099151 /nfs/dbraw/zinc/09/91/51/288099151.db2.gz UTJJSCIZWJCKRW-ZDUSSCGKSA-N 0 3 329.360 1.664 20 5 EDBDHN Cc1c(C(=O)N2CCN[C@H](C)[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262868706 280208075 /nfs/dbraw/zinc/20/80/75/280208075.db2.gz UUBGDTVSCCMGLO-GHMZBOCLSA-N 0 3 344.375 1.306 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1N1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000450894199 281259936 /nfs/dbraw/zinc/25/99/36/281259936.db2.gz ULPDWYJJPZFDIK-AWEZNQCLSA-N 0 3 332.404 1.694 20 5 EDBDHN CC[C@H](NC(=O)C(=O)N(C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289645540 288751494 /nfs/dbraw/zinc/75/14/94/288751494.db2.gz LFGYASJUKYBTNS-AWEZNQCLSA-N 0 3 336.392 1.182 20 5 EDBDHN Cc1ccc(NC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)cc1[N+](=O)[O-] ZINC000292482363 289359627 /nfs/dbraw/zinc/35/96/27/289359627.db2.gz BULQPDAJLXCARX-TZMCWYRMSA-N 0 3 336.392 1.822 20 5 EDBDHN CCCC[C@H](CN)NC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419148271 304571467 /nfs/dbraw/zinc/57/14/67/304571467.db2.gz KEJRNEJYHKFYKO-VXGBXAGGSA-N 0 3 336.392 1.406 20 5 EDBDHN Cc1c(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000419762742 304681939 /nfs/dbraw/zinc/68/19/39/304681939.db2.gz SRHXJOXGOZYVRK-NHYWBVRUSA-N 0 3 348.403 1.105 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000419979445 304719886 /nfs/dbraw/zinc/71/98/86/304719886.db2.gz POTBWWGDRAJGMJ-ZMSDIMECSA-N 0 3 335.404 1.517 20 5 EDBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])nn2C)o1 ZINC000356472702 301580617 /nfs/dbraw/zinc/58/06/17/301580617.db2.gz ZUZUCSFYSSFCCQ-UHFFFAOYSA-N 0 3 335.364 1.434 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC2CCOC(=O)C21 ZINC000366971015 302045928 /nfs/dbraw/zinc/04/59/28/302045928.db2.gz UVTZRDQMMNOLKM-JQWIXIFHSA-N 0 3 340.357 1.229 20 5 EDBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000293934948 303040621 /nfs/dbraw/zinc/04/06/21/303040621.db2.gz QRZUGZCYUBWWPJ-HNNXBMFYSA-N 0 3 334.332 1.671 20 5 EDBDHN CC(C)N(C)CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294704738 303137376 /nfs/dbraw/zinc/13/73/76/303137376.db2.gz XMKFTKXBDLLOKD-UHFFFAOYSA-N 0 3 348.403 1.219 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](O)[C@H]1C ZINC000295856413 303276397 /nfs/dbraw/zinc/27/63/97/303276397.db2.gz DONGIYGOEQFILT-BXUZGUMPSA-N 0 3 337.376 1.777 20 5 EDBDHN O=c1[nH]cnc2cc(N3CC[C@H](N4CCCC4)C3)c([N+](=O)[O-])cc12 ZINC000301141042 303662656 /nfs/dbraw/zinc/66/26/56/303662656.db2.gz FUOBNKGFPYQCQL-NSHDSACASA-N 0 3 329.360 1.918 20 5 EDBDHN CCN(C)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428042552 305005286 /nfs/dbraw/zinc/00/52/86/305005286.db2.gz MCWMCVBHNMRSJM-UHFFFAOYSA-N 0 3 332.360 1.590 20 5 EDBDHN Cc1cc(OCC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000432197255 305088843 /nfs/dbraw/zinc/08/88/43/305088843.db2.gz XGOITRYCJCSXTF-WFASDCNBSA-N 0 3 333.388 1.881 20 5 EDBDHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000440514920 305208826 /nfs/dbraw/zinc/20/88/26/305208826.db2.gz LYFSPOLGPLYSBS-QGZVFWFLSA-N 0 3 345.355 1.555 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H](O)CN3CCOCC3)C2)cc1 ZINC000451550433 305352937 /nfs/dbraw/zinc/35/29/37/305352937.db2.gz RRBXEIPZEMGDOU-WMZOPIPTSA-N 0 3 349.431 1.467 20 5 EDBDHN O=C1CCC(=O)N1CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552205 305353147 /nfs/dbraw/zinc/35/31/47/305353147.db2.gz WBWVJZRJPXASPF-AWEZNQCLSA-N 0 3 331.372 1.923 20 5 EDBDHN CC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452107416 305383446 /nfs/dbraw/zinc/38/34/46/305383446.db2.gz AXPFJPFXNJMZFB-KCQAQPDRSA-N 0 3 336.388 1.691 20 5 EDBDHN C[C@H](NC(=O)NCCNc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000458889430 305512652 /nfs/dbraw/zinc/51/26/52/305512652.db2.gz OJLMTFFTISXGQM-LBPRGKRZSA-N 0 3 329.360 1.884 20 5 EDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[C@@H]1N1CCN(C)CC1 ZINC000535020985 306011027 /nfs/dbraw/zinc/01/10/27/306011027.db2.gz YKISFBCCMXQPBQ-ZFWWWQNUSA-N 0 3 349.435 1.031 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000542778272 306057967 /nfs/dbraw/zinc/05/79/67/306057967.db2.gz YPSSQJUBIDGCFO-XJKSGUPXSA-N 0 3 348.403 1.709 20 5 EDBDHN COc1cc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c([N+](=O)[O-])cc1[O-] ZINC000449461915 447375397 /nfs/dbraw/zinc/37/53/97/447375397.db2.gz UJBPOLXZDMLGFM-ZUZCIYMTSA-N 0 3 326.349 1.450 20 5 EDBDHN O=C(COc1ccc([N+](=O)[O-])cc1F)NC1CCN(C2CC2)CC1 ZINC000047354964 441178990 /nfs/dbraw/zinc/17/89/90/441178990.db2.gz IPIDIZBEZXYDKR-UHFFFAOYSA-N 0 3 337.351 1.856 20 5 EDBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000047429170 441185889 /nfs/dbraw/zinc/18/58/89/441185889.db2.gz QXEGFQWUMCAXEH-UHFFFAOYSA-N 0 3 342.355 1.717 20 5 EDBDHN COCCN(C)CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000063802651 441354675 /nfs/dbraw/zinc/35/46/75/441354675.db2.gz UGYWKWFAYPLXKS-UHFFFAOYSA-N 0 3 334.376 1.774 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(c3nnc[nH]3)CC2)c1 ZINC000083424919 441360838 /nfs/dbraw/zinc/36/08/38/441360838.db2.gz JXMBRHNUMWLQKZ-CQSZACIVSA-N 0 3 347.375 1.332 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000073963847 441374224 /nfs/dbraw/zinc/37/42/24/441374224.db2.gz LAFRZYLZHCRQEX-UHFFFAOYSA-N 0 3 326.422 1.414 20 5 EDBDHN CN(C)CCN(Cc1ccccc1F)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000065893637 441492086 /nfs/dbraw/zinc/49/20/86/441492086.db2.gz LMEZYSUHPNDPTR-UHFFFAOYSA-N 0 3 349.366 1.521 20 5 EDBDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000112549354 441550756 /nfs/dbraw/zinc/55/07/56/441550756.db2.gz QXFMAIPIFPVCRB-GXFFZTMASA-N 0 3 344.375 1.426 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCn1cccn1 ZINC000111279918 441530939 /nfs/dbraw/zinc/53/09/39/441530939.db2.gz RKJZZUIOPLJLCN-UHFFFAOYSA-N 0 3 347.375 1.761 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000111843519 441541894 /nfs/dbraw/zinc/54/18/94/441541894.db2.gz UKSHBFIDTOEBJK-HNNXBMFYSA-N 0 3 336.392 1.505 20 5 EDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000032072731 441544642 /nfs/dbraw/zinc/54/46/42/441544642.db2.gz QDGOCGJZVBDXTC-GFCCVEGCSA-N 0 3 329.422 1.912 20 5 EDBDHN COc1c(C)cc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000075682314 441548393 /nfs/dbraw/zinc/54/83/93/441548393.db2.gz QWTLMSYHFNHRLX-INIZCTEOSA-N 0 3 348.403 1.910 20 5 EDBDHN O=C(NCCN1CCCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000076249935 441617731 /nfs/dbraw/zinc/61/77/31/441617731.db2.gz PPOGLEUITUKVOO-UHFFFAOYSA-N 0 3 349.387 1.972 20 5 EDBDHN Cc1cccc(C(=O)NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000041363148 441647302 /nfs/dbraw/zinc/64/73/02/441647302.db2.gz KSIALCZWFGKCIL-UHFFFAOYSA-N 0 3 334.420 1.661 20 5 EDBDHN CN1CCN(CCCCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000042106563 441705029 /nfs/dbraw/zinc/70/50/29/441705029.db2.gz URSLNCLKSSVCJB-UHFFFAOYSA-N 0 3 338.437 1.744 20 5 EDBDHN COCCN1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000142430431 441864062 /nfs/dbraw/zinc/86/40/62/441864062.db2.gz BPXVLLBZKHQABF-QPJJXVBHSA-N 0 3 333.388 1.835 20 5 EDBDHN COc1ccc(OCCNC2(C(N)=O)CCCCC2)c([N+](=O)[O-])c1 ZINC000122916923 441867618 /nfs/dbraw/zinc/86/76/18/441867618.db2.gz IQBVGGHKUYLFBW-UHFFFAOYSA-N 0 3 337.376 1.760 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000146618014 441898381 /nfs/dbraw/zinc/89/83/81/441898381.db2.gz LAZZIQARKFNKLO-CYBMUJFWSA-N 0 3 339.417 1.762 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)cc1 ZINC000146623081 441899079 /nfs/dbraw/zinc/89/90/79/441899079.db2.gz WNADGLFFVOPUNS-CYBMUJFWSA-N 0 3 325.390 1.454 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000069506250 441957081 /nfs/dbraw/zinc/95/70/81/441957081.db2.gz IAFWZDWHUQDBLS-GFCCVEGCSA-N 0 3 347.375 1.312 20 5 EDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000120092309 442005929 /nfs/dbraw/zinc/00/59/29/442005929.db2.gz QWOWQRCBRDTVPT-CYBMUJFWSA-N 0 3 337.376 1.064 20 5 EDBDHN CC(C)(C)OC(=O)N1CC[C@@H](NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151248385 442031711 /nfs/dbraw/zinc/03/17/11/442031711.db2.gz BAJNEVUXEQGFPB-LLVKDONJSA-N 0 3 325.369 1.390 20 5 EDBDHN CN1CCC[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000162435857 442094109 /nfs/dbraw/zinc/09/41/09/442094109.db2.gz FMVCDELWYSULBZ-ZDUSSCGKSA-N 0 3 341.433 1.399 20 5 EDBDHN O=C(CN1CC[C@H](N2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000170743023 442256137 /nfs/dbraw/zinc/25/61/37/442256137.db2.gz JBEOIKZTKJGXPK-INIZCTEOSA-N 0 3 344.415 1.654 20 5 EDBDHN C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000154697429 442352163 /nfs/dbraw/zinc/35/21/63/442352163.db2.gz WCIKKQYHRKIHTC-JSGCOSHPSA-N 0 3 341.433 1.839 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000177163806 442308001 /nfs/dbraw/zinc/30/80/01/442308001.db2.gz BHVBONPNKVUQSV-ZJUUUORDSA-N 0 3 329.360 1.826 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C(C)C ZINC000155604432 442411977 /nfs/dbraw/zinc/41/19/77/442411977.db2.gz KRTSFINZCWTWME-UHFFFAOYSA-N 0 3 329.422 1.776 20 5 EDBDHN O=C(CN1CCCN(C2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000172542710 442484980 /nfs/dbraw/zinc/48/49/80/442484980.db2.gz LKQVIGBYXZXASE-UHFFFAOYSA-N 0 3 344.415 1.654 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179881795 442516016 /nfs/dbraw/zinc/51/60/16/442516016.db2.gz OSYYDPUQIHHNHH-NSHDSACASA-N 0 3 337.376 1.947 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186705191 442595764 /nfs/dbraw/zinc/59/57/64/442595764.db2.gz KWOOTCAMRTXLCC-RDJZCZTQSA-N 0 3 344.371 1.284 20 5 EDBDHN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCN2CCCCC2)C1=O ZINC000192803299 442687946 /nfs/dbraw/zinc/68/79/46/442687946.db2.gz QIBJAJGHKOLEKX-KRWDZBQOSA-N 0 3 346.387 1.848 20 5 EDBDHN CC(C)COC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246447474 442783049 /nfs/dbraw/zinc/78/30/49/442783049.db2.gz DQROFYMMYIVOTN-UKRRQHHQSA-N 0 3 338.408 1.510 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CN1C1CC1 ZINC000268040697 442827038 /nfs/dbraw/zinc/82/70/38/442827038.db2.gz XYIVZYCXSAIJHW-QWRGUYRKSA-N 0 3 337.351 1.854 20 5 EDBDHN Cc1c(CN[C@H](C(=O)N2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000180073253 318465003 /nfs/dbraw/zinc/46/50/03/318465003.db2.gz MLPOUBLBISVBAF-INIZCTEOSA-N 0 3 335.404 1.876 20 5 EDBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC000183472643 442934549 /nfs/dbraw/zinc/93/45/49/442934549.db2.gz FAAHTOLGOZJLIP-UHFFFAOYSA-N 0 3 329.360 1.780 20 5 EDBDHN COCCCN(C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000266178515 443046954 /nfs/dbraw/zinc/04/69/54/443046954.db2.gz XANFCIAMDCJRSO-UHFFFAOYSA-N 0 3 325.365 1.058 20 5 EDBDHN Cc1n[nH]c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268685447 443076941 /nfs/dbraw/zinc/07/69/41/443076941.db2.gz HKANPVRPYTVZRA-CQSZACIVSA-N 0 3 343.387 1.973 20 5 EDBDHN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268685447 443076945 /nfs/dbraw/zinc/07/69/45/443076945.db2.gz HKANPVRPYTVZRA-CQSZACIVSA-N 0 3 343.387 1.973 20 5 EDBDHN COCCCN(C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000266555594 443167721 /nfs/dbraw/zinc/16/77/21/443167721.db2.gz NYBSAHFNGFNACX-UHFFFAOYSA-N 0 3 338.408 1.405 20 5 EDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1n1ccnc1 ZINC000245737582 443247219 /nfs/dbraw/zinc/24/72/19/443247219.db2.gz WUDODYDOEHJYLK-UKRRQHHQSA-N 0 3 331.376 1.536 20 5 EDBDHN [NH3+]C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000382516191 319123812 /nfs/dbraw/zinc/12/38/12/319123812.db2.gz RJTDVSHAJDCEBJ-IUCAKERBSA-N 0 3 333.797 1.654 20 5 EDBDHN CCN1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000267112404 443346597 /nfs/dbraw/zinc/34/65/97/443346597.db2.gz YSZWHOBWBFKRQD-GFCCVEGCSA-N 0 3 342.421 1.163 20 5 EDBDHN CCN1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000264627586 443352458 /nfs/dbraw/zinc/35/24/58/443352458.db2.gz NBNIKRCBLPVPTQ-UHFFFAOYSA-N 0 3 343.387 1.948 20 5 EDBDHN C[C@H]1OCC[C@]1(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000278700008 443405543 /nfs/dbraw/zinc/40/55/43/443405543.db2.gz QUDDJNYUIGLCDZ-OTYXRUKQSA-N 0 3 332.303 1.826 20 5 EDBDHN CCN1CCC(Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000272876492 443476343 /nfs/dbraw/zinc/47/63/43/443476343.db2.gz FQMIUYRWSBWCBS-UHFFFAOYSA-N 0 3 328.394 1.138 20 5 EDBDHN COc1ccc(OCCN2CCC3(CNC(=O)C3)CC2)c([N+](=O)[O-])c1 ZINC000267660887 443531726 /nfs/dbraw/zinc/53/17/26/443531726.db2.gz MUUXCRGSMMIPJA-UHFFFAOYSA-N 0 3 349.387 1.584 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000265108167 443535535 /nfs/dbraw/zinc/53/55/35/443535535.db2.gz YXBZZGWVZXEUGW-NSHDSACASA-N 0 3 333.348 1.417 20 5 EDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000272257267 443571045 /nfs/dbraw/zinc/57/10/45/443571045.db2.gz UMKGQSUQQKMPRE-ZWNOBZJWSA-N 0 3 345.396 1.613 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCc3cn[nH]c3C2)c([N+](=O)[O-])c1 ZINC000611008625 450403895 /nfs/dbraw/zinc/40/38/95/450403895.db2.gz DWXMYIXPFOTHSX-UHFFFAOYSA-N 0 3 345.359 1.713 20 5 EDBDHN CC(C)N(CCC(=O)N1CCN(C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000283477704 443642869 /nfs/dbraw/zinc/64/28/69/443642869.db2.gz IXCLKDUTUCVZAT-UHFFFAOYSA-N 0 3 348.447 1.969 20 5 EDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCN1S(C)(=O)=O ZINC000449216711 320178963 /nfs/dbraw/zinc/17/89/63/320178963.db2.gz UTBZXORSFVFQAN-GXTWGEPZSA-N 0 3 341.433 1.539 20 5 EDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000457106654 320320117 /nfs/dbraw/zinc/32/01/17/320320117.db2.gz DJLLCOQYDVJJLX-GFCCVEGCSA-N 0 3 349.387 1.921 20 5 EDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1c([N+](=O)[O-])ncn1C ZINC000491202557 320366736 /nfs/dbraw/zinc/36/67/36/320366736.db2.gz QCMWFMSTWVUWMQ-KRWDZBQOSA-N 0 3 345.403 1.402 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000493585102 320395090 /nfs/dbraw/zinc/39/50/90/320395090.db2.gz NSHAGWFHRIZOQN-PRJTXATQSA-N 0 3 345.399 1.930 20 5 EDBDHN CC(C)N(CCOCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000283691282 443690422 /nfs/dbraw/zinc/69/04/22/443690422.db2.gz ITQAGRHUPGXMLL-HNNXBMFYSA-N 0 3 342.392 1.054 20 5 EDBDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccc(C(N)=O)cc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000286366642 443699319 /nfs/dbraw/zinc/69/93/19/443699319.db2.gz GBOLKAGIPUFEJC-YOPIWALVSA-N 0 3 331.372 1.549 20 5 EDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000288126608 443779347 /nfs/dbraw/zinc/77/93/47/443779347.db2.gz KJXTULGMRYQZFO-WFASDCNBSA-N 0 3 346.387 1.619 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285310893 443937670 /nfs/dbraw/zinc/93/76/70/443937670.db2.gz QMFNQTBZPCUTGK-MIVXPEEVSA-N 0 3 331.372 1.540 20 5 EDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1(CN(C)C)CCC1 ZINC000281581347 443950349 /nfs/dbraw/zinc/95/03/49/443950349.db2.gz BNSOMFNEBQDCOY-GFCCVEGCSA-N 0 3 348.403 1.314 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@H]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000277473016 443987818 /nfs/dbraw/zinc/98/78/18/443987818.db2.gz NLUTYRAXHKRQCR-YPMHNXCESA-N 0 3 337.376 1.947 20 5 EDBDHN CCN(CC)[C@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566123189 321218284 /nfs/dbraw/zinc/21/82/84/321218284.db2.gz AXRPUQSQWTWCLF-CYBMUJFWSA-N 0 3 343.449 1.688 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)NC[C@H](C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000571195601 321376026 /nfs/dbraw/zinc/37/60/26/321376026.db2.gz AZZKZPFCNCPHDU-ZDUSSCGKSA-N 0 3 348.403 1.234 20 5 EDBDHN CO[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000571552046 321391500 /nfs/dbraw/zinc/39/15/00/321391500.db2.gz NQIPCZAQTJSZTI-DGCLKSJQSA-N 0 3 328.390 1.526 20 5 EDBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)C1 ZINC000301266998 444159200 /nfs/dbraw/zinc/15/92/00/444159200.db2.gz GWEHOAUXQQRWCX-AWEZNQCLSA-N 0 3 349.391 1.719 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(N3CCN(c4ccncc4)CC3)nn21 ZINC000301872671 444194641 /nfs/dbraw/zinc/19/46/41/444194641.db2.gz DLRJQTWCMMZVBI-UHFFFAOYSA-N 0 3 325.332 1.359 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCC[C@H]2CN2CCOCC2)c1 ZINC000305197257 444264345 /nfs/dbraw/zinc/26/43/45/444264345.db2.gz UMAYKWWVIDJZDW-ROUUACIJSA-N 0 3 349.431 1.815 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC000303038384 444232763 /nfs/dbraw/zinc/23/27/63/444232763.db2.gz RQCBHBOAPAXRBD-UHFFFAOYSA-N 0 3 346.391 1.794 20 5 EDBDHN C[C@H]1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000305744925 444277259 /nfs/dbraw/zinc/27/72/59/444277259.db2.gz UWTOXJCMOHORES-WFASDCNBSA-N 0 3 349.387 1.986 20 5 EDBDHN NCc1cn([C@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000578768856 321829539 /nfs/dbraw/zinc/82/95/39/321829539.db2.gz YADVKPUKQPGXBB-HNNXBMFYSA-N 0 3 344.375 1.051 20 5 EDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000579815182 321973189 /nfs/dbraw/zinc/97/31/89/321973189.db2.gz JCFSYEOEYPXBQI-QWHCGFSZSA-N 0 3 348.384 1.024 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2ccccc2[C@H]1CN ZINC000580329563 322038726 /nfs/dbraw/zinc/03/87/26/322038726.db2.gz DLBFFYZGUAZQFV-CQSZACIVSA-N 0 3 329.360 1.184 20 5 EDBDHN CC1CCN(C[C@H](O)CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330372324 444956464 /nfs/dbraw/zinc/95/64/64/444956464.db2.gz KBFFRONTJPFOFM-LLVKDONJSA-N 0 3 327.406 1.479 20 5 EDBDHN O=C(NC1CCN(Cc2ccncc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343199673 445129903 /nfs/dbraw/zinc/12/99/03/445129903.db2.gz GILQWRPSDVRDEF-UHFFFAOYSA-N 0 3 330.348 1.107 20 5 EDBDHN C[C@H]1[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCN1C ZINC000343467111 445228066 /nfs/dbraw/zinc/22/80/66/445228066.db2.gz ZGVFJIFPEFCYKP-BLLLJJGKSA-N 0 3 343.387 1.993 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@@H](O)CN3CCCCC3)c21 ZINC000347415281 445237848 /nfs/dbraw/zinc/23/78/48/445237848.db2.gz VTBWHFNDQDUOCK-GFCCVEGCSA-N 0 3 331.376 1.797 20 5 EDBDHN Cc1sc(S(=O)(=O)N[C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000349804194 445684050 /nfs/dbraw/zinc/68/40/50/445684050.db2.gz UDCYDOWTDOENKO-SECBINFHSA-N 0 3 335.451 1.972 20 5 EDBDHN C[C@@H]1C[C@@H](c2cccnc2)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000358790373 445776848 /nfs/dbraw/zinc/77/68/48/445776848.db2.gz JMBPVOWXZUPXRR-WQVCFCJDSA-N 0 3 331.376 1.630 20 5 EDBDHN Cc1ccccc1CN1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000363395672 445786399 /nfs/dbraw/zinc/78/63/99/445786399.db2.gz OJTMWSIOMVEAJV-UHFFFAOYSA-N 0 3 342.403 1.988 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CN1Cc1ccccc1 ZINC000356749990 445986670 /nfs/dbraw/zinc/98/66/70/445986670.db2.gz ZAKQAVWTKIOMAX-OCCSQVGLSA-N 0 3 343.387 1.721 20 5 EDBDHN CCO[C@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000583867503 326155661 /nfs/dbraw/zinc/15/56/61/326155661.db2.gz NQZHBYPTWHKDTL-JKSUJKDBSA-N 0 3 334.376 1.520 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN([C@H]2CCOC2)CC1 ZINC000366188501 446071766 /nfs/dbraw/zinc/07/17/66/446071766.db2.gz APJKZBNLQNUHHS-INIZCTEOSA-N 0 3 333.388 1.507 20 5 EDBDHN CCN(CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000359259073 446094113 /nfs/dbraw/zinc/09/41/13/446094113.db2.gz GPAJORSDSQHJKJ-UHFFFAOYSA-N 0 3 348.403 1.120 20 5 EDBDHN CC(C)N(C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351504359 446110537 /nfs/dbraw/zinc/11/05/37/446110537.db2.gz VVPIPXKQAUVMHO-UHFFFAOYSA-N 0 3 326.328 1.129 20 5 EDBDHN Cc1ncccc1O[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000365276485 446121496 /nfs/dbraw/zinc/12/14/96/446121496.db2.gz ROJUNENDRDTPFM-GJZGRUSLSA-N 0 3 347.375 1.009 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351520264 446124076 /nfs/dbraw/zinc/12/40/76/446124076.db2.gz WODFGKQKRFZIQQ-LBPRGKRZSA-N 0 3 338.339 1.273 20 5 EDBDHN CCC1(CC)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000362246620 446283939 /nfs/dbraw/zinc/28/39/39/446283939.db2.gz RNKUFJBGJHHOEK-ZDUSSCGKSA-N 0 3 328.438 1.760 20 5 EDBDHN CC1(C)C[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000417895232 446377763 /nfs/dbraw/zinc/37/77/63/446377763.db2.gz POBXKHQCEWKIGW-LLVKDONJSA-N 0 3 343.405 1.030 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420786276 446820466 /nfs/dbraw/zinc/82/04/66/446820466.db2.gz VGFPHBGSGCLAJJ-CQSZACIVSA-N 0 3 336.392 1.839 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)Nc1ccc([N+](=O)[O-])cc1F ZINC000454280955 446833774 /nfs/dbraw/zinc/83/37/74/446833774.db2.gz UYISSUGGQZXBRW-LBPRGKRZSA-N 0 3 340.355 1.702 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@](O)(Cc3ccc(F)cc3)C2)n1 ZINC000420973768 446945797 /nfs/dbraw/zinc/94/57/97/446945797.db2.gz CTOJMIGGSOLYGE-INIZCTEOSA-N 0 3 334.351 1.610 20 5 EDBDHN CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000419159056 446975339 /nfs/dbraw/zinc/97/53/39/446975339.db2.gz FQBXGPAWKZNRRJ-KGLIPLIRSA-N 0 3 334.376 1.112 20 5 EDBDHN Cc1nc(NCc2ccncc2OCCN(C)C)ncc1[N+](=O)[O-] ZINC000450527036 447516765 /nfs/dbraw/zinc/51/67/65/447516765.db2.gz IQOTVJBAPAAATL-UHFFFAOYSA-N 0 3 332.364 1.641 20 5 EDBDHN Cc1cc(OCC(=O)Nc2ccn(CCN(C)C)n2)ccc1[N+](=O)[O-] ZINC000430416381 447773658 /nfs/dbraw/zinc/77/36/58/447773658.db2.gz IEGWEVCMGKOOSB-UHFFFAOYSA-N 0 3 347.375 1.679 20 5 EDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000451917726 447783781 /nfs/dbraw/zinc/78/37/81/447783781.db2.gz NZQGCPKTEUCSKD-HUUCEWRRSA-N 0 3 346.431 1.942 20 5 EDBDHN C[C@H](C[C@@H]1CCCO1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569650474 447858105 /nfs/dbraw/zinc/85/81/05/447858105.db2.gz LCQDZOOJPLVDRC-OCCSQVGLSA-N 0 3 342.417 1.916 20 5 EDBDHN CC(COC(=O)[C@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496750660 447881264 /nfs/dbraw/zinc/88/12/64/447881264.db2.gz XEGXYZRULNASGR-OUAUKWLOSA-N 0 3 332.353 1.125 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000530806430 447960896 /nfs/dbraw/zinc/96/08/96/447960896.db2.gz RLFQRRRGIMJBGI-LLVKDONJSA-N 0 3 334.376 1.300 20 5 EDBDHN CC(C)N(C)c1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570795196 448065088 /nfs/dbraw/zinc/06/50/88/448065088.db2.gz PXMBXYUJLXHWBZ-INIZCTEOSA-N 0 3 347.419 1.787 20 5 EDBDHN CC[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000571284465 448128046 /nfs/dbraw/zinc/12/80/46/448128046.db2.gz XSTKWDHPVIQCKL-GBIKHYSHSA-N 0 3 334.319 1.329 20 5 EDBDHN CN1CCN(CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000582943588 448383490 /nfs/dbraw/zinc/38/34/90/448383490.db2.gz ZWRMOQAWAKNDDP-UHFFFAOYSA-N 0 3 349.435 1.420 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(-n3cccn3)cc2)c1 ZINC000516275332 448406180 /nfs/dbraw/zinc/40/61/80/448406180.db2.gz KWMXVNBSABFLIX-MRXNPFEDSA-N 0 3 342.359 1.128 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC[C@H](O)CC2)cc1 ZINC000591771726 448488407 /nfs/dbraw/zinc/48/84/07/448488407.db2.gz QQZRXHXSRUABOF-AULYBMBSSA-N 0 3 328.390 1.262 20 5 EDBDHN O=C(C[C@H]1CSCCN1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000584345541 448490176 /nfs/dbraw/zinc/49/01/76/448490176.db2.gz WLJZTVRBGJCDMC-NSHDSACASA-N 0 3 325.390 1.185 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000572964869 448508822 /nfs/dbraw/zinc/50/88/22/448508822.db2.gz QEDQCZCFJKLZEY-ZDUSSCGKSA-N 0 3 348.403 1.751 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000536883465 448545734 /nfs/dbraw/zinc/54/57/34/448545734.db2.gz WPHCUORNLPXVJJ-OLZOCXBDSA-N 0 3 341.433 1.978 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1nccc2c1cccc2[N+](=O)[O-] ZINC000591985439 448610948 /nfs/dbraw/zinc/61/09/48/448610948.db2.gz NONMFKBLJJHIHX-GFCCVEGCSA-N 0 3 343.387 1.699 20 5 EDBDHN Cc1ncc([N+](=O)[O-])c(OCC(=O)NC2CCN(C3CC3)CC2)c1C ZINC000518398490 448676537 /nfs/dbraw/zinc/67/65/37/448676537.db2.gz SZRANVBWDLJGMC-UHFFFAOYSA-N 0 3 348.403 1.728 20 5 EDBDHN Cc1ccccc1[C@H](CO)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000542910341 448731902 /nfs/dbraw/zinc/73/19/02/448731902.db2.gz SEFZTHBYFGKTRA-YJBOKZPZSA-N 0 3 346.383 1.966 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000519522841 448776234 /nfs/dbraw/zinc/77/62/34/448776234.db2.gz CKVVMRWXYPOZLF-CJNGLKHVSA-N 0 3 328.372 1.712 20 5 EDBDHN CN1CCC(N(Cc2ccco2)C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548086158 448980797 /nfs/dbraw/zinc/98/07/97/448980797.db2.gz VFCJLJUBSVPWHS-UHFFFAOYSA-N 0 3 333.348 1.648 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548089413 448981380 /nfs/dbraw/zinc/98/13/80/448981380.db2.gz JWTOKKHCDWGBSZ-FZMZJTMJSA-N 0 3 329.360 1.568 20 5 EDBDHN O=C(N[C@@H](CO)CN1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588868818 448942848 /nfs/dbraw/zinc/94/28/48/448942848.db2.gz GTJJRWMBGGOFAG-GFCCVEGCSA-N 0 3 327.768 1.435 20 5 EDBDHN CN(C)CCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000593655560 449132841 /nfs/dbraw/zinc/13/28/41/449132841.db2.gz RJYCDDXWODDGRB-FNORWQNLSA-N 0 3 332.404 1.314 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000590012789 449096387 /nfs/dbraw/zinc/09/63/87/449096387.db2.gz YNJMFWGCXJDUMK-SMDDNHRTSA-N 0 3 334.376 1.178 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(CCN(C)C)C(=O)C1 ZINC000593053287 449115454 /nfs/dbraw/zinc/11/54/54/449115454.db2.gz YSSIMHKHRQUCLG-CQSZACIVSA-N 0 3 334.420 1.670 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(CCN(C)C)C(=O)C1 ZINC000593053284 449115495 /nfs/dbraw/zinc/11/54/95/449115495.db2.gz YSSIMHKHRQUCLG-AWEZNQCLSA-N 0 3 334.420 1.670 20 5 EDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000590402387 449149063 /nfs/dbraw/zinc/14/90/63/449149063.db2.gz SSYROQZMCXOKTP-NEPJUHHUSA-N 0 3 325.390 1.592 20 5 EDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000590403237 449150093 /nfs/dbraw/zinc/15/00/93/449150093.db2.gz ZVLJTHDRKATFHR-HZPDHXFCSA-N 0 3 349.387 1.295 20 5 EDBDHN CC(C)[C@H](O)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000596065221 449343718 /nfs/dbraw/zinc/34/37/18/449343718.db2.gz GWZBGZRPEKSTFC-ULQDDVLXSA-N 0 3 348.403 1.500 20 5 EDBDHN CN1CCC[N@H+](CCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000613953797 449396479 /nfs/dbraw/zinc/39/64/79/449396479.db2.gz NPAJLBRNORYWOD-UHFFFAOYSA-N 0 3 336.392 1.058 20 5 EDBDHN CN1CCC[N@@H+](CCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000613953797 449396485 /nfs/dbraw/zinc/39/64/85/449396485.db2.gz NPAJLBRNORYWOD-UHFFFAOYSA-N 0 3 336.392 1.058 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594236620 449404324 /nfs/dbraw/zinc/40/43/24/449404324.db2.gz XTTOEFIDXWKRER-VHDGCEQUSA-N 0 3 348.403 1.425 20 5 EDBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000596242332 449435876 /nfs/dbraw/zinc/43/58/76/449435876.db2.gz DJYNURYUFNAZFU-AWEZNQCLSA-N 0 3 346.387 1.903 20 5 EDBDHN O=C(CCN[C@H]1CCN(C2CCC2)C1=O)Nc1ccccc1[N+](=O)[O-] ZINC000600758168 449536606 /nfs/dbraw/zinc/53/66/06/449536606.db2.gz BZRQKMWWBZQSKD-AWEZNQCLSA-N 0 3 346.387 1.666 20 5 EDBDHN CN(C)CCNc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cn1 ZINC000600795481 449548964 /nfs/dbraw/zinc/54/89/64/449548964.db2.gz XVWBDFLOROUMTC-UHFFFAOYSA-N 0 3 330.388 2.165 20 5 EDBDHN O=c1[n-]ccc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596425283 449495989 /nfs/dbraw/zinc/49/59/89/449495989.db2.gz XMRWZVNYCAKGLA-CQSZACIVSA-N 0 3 344.371 1.874 20 5 EDBDHN O=c1[n-]ccc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596425283 449495997 /nfs/dbraw/zinc/49/59/97/449495997.db2.gz XMRWZVNYCAKGLA-CQSZACIVSA-N 0 3 344.371 1.874 20 5 EDBDHN CN(C)CCN(CC(=O)N(C)C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000596460853 449514713 /nfs/dbraw/zinc/51/47/13/449514713.db2.gz BUFVULITVCRNFK-UHFFFAOYSA-N 0 3 329.788 1.099 20 5 EDBDHN CN(C)C[C@H]1CCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598896890 449635560 /nfs/dbraw/zinc/63/55/60/449635560.db2.gz QZWIIIVQSKAUBH-CQSZACIVSA-N 0 3 349.391 1.269 20 5 EDBDHN C[C@@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1cccc([N+](=O)[O-])c1 ZINC000599063778 449714184 /nfs/dbraw/zinc/71/41/84/449714184.db2.gz HKQGDBWWPRVZLJ-KDOFPFPSSA-N 0 3 349.431 1.861 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000601149567 449718710 /nfs/dbraw/zinc/71/87/10/449718710.db2.gz MXHSFXRWJNWKNY-NTZNESFSSA-N 0 3 338.360 1.802 20 5 EDBDHN C[C@@H](C(=O)NCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617690062 449737153 /nfs/dbraw/zinc/73/71/53/449737153.db2.gz OTZONHKRQIADKT-CQSZACIVSA-N 0 3 334.420 1.452 20 5 EDBDHN CN(C)CCN(CC(=O)N(C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602709615 449761719 /nfs/dbraw/zinc/76/17/19/449761719.db2.gz OEUOKKXRJCWVIT-UHFFFAOYSA-N 0 3 349.391 1.188 20 5 EDBDHN Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)c([N+](=O)[O-])s1 ZINC000601337702 449846055 /nfs/dbraw/zinc/84/60/55/449846055.db2.gz CYUOGIRJGBQWIE-SNVBAGLBSA-N 0 3 333.435 1.537 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@]1(CO)CCCc2ccccc21 ZINC000602826918 449838301 /nfs/dbraw/zinc/83/83/01/449838301.db2.gz ORRQNUOFIUGYDE-QGZVFWFLSA-N 0 3 330.388 1.913 20 5 EDBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCN1CC[C@H](O)C1 ZINC000599199430 449794162 /nfs/dbraw/zinc/79/41/62/449794162.db2.gz KPYZUPLYZORGRS-NSHDSACASA-N 0 3 332.360 1.052 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3cccnc3)C2)c1 ZINC000602852708 449859016 /nfs/dbraw/zinc/85/90/16/449859016.db2.gz GMMWEEVNAFNEOR-HOCLYGCPSA-N 0 3 331.376 1.427 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000601370564 449885059 /nfs/dbraw/zinc/88/50/59/449885059.db2.gz ZGXGAEJFPVDJCF-ZWNOBZJWSA-N 0 3 345.396 1.613 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 ZINC000595194155 449936459 /nfs/dbraw/zinc/93/64/59/449936459.db2.gz JQZFLDMYRNHRIV-CYBMUJFWSA-N 0 3 348.403 1.696 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCCN(C)C1 ZINC000599413008 449958167 /nfs/dbraw/zinc/95/81/67/449958167.db2.gz RETLWGPMIFRVBF-ZDUSSCGKSA-N 0 3 341.433 1.913 20 5 EDBDHN C[C@@H]1CN(CCN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000602962992 449964446 /nfs/dbraw/zinc/96/44/46/449964446.db2.gz QXKRQAVNGVPJFJ-CPUCHLNUSA-N 0 3 337.420 1.501 20 5 EDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595258049 449981722 /nfs/dbraw/zinc/98/17/22/449981722.db2.gz RAPQGNGRYKFNJW-HNNXBMFYSA-N 0 3 345.359 1.481 20 5 EDBDHN CCc1n[n-]c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000597581773 450125084 /nfs/dbraw/zinc/12/50/84/450125084.db2.gz RBNKPMLWDYSIOQ-ONGXEEELSA-N 0 3 325.344 1.139 20 5 EDBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCC[NH+]1CCCCC1 ZINC000610259635 450172656 /nfs/dbraw/zinc/17/26/56/450172656.db2.gz AMWBCMQASSAEKJ-UHFFFAOYSA-N 0 3 328.394 1.144 20 5 EDBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597654201 450173172 /nfs/dbraw/zinc/17/31/72/450173172.db2.gz PLXCKLLGMUPRHG-VIFPVBQESA-N 0 3 346.181 1.010 20 5 EDBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN2CCC[C@@H]2C1 ZINC000610396698 450206346 /nfs/dbraw/zinc/20/63/46/450206346.db2.gz JOWYOVOLUZIEPO-CYBMUJFWSA-N 0 3 347.371 1.215 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000184356775 533907202 /nfs/dbraw/zinc/90/72/02/533907202.db2.gz IMKJXUZSDRNRIG-CQSZACIVSA-N 0 3 334.420 1.280 20 5 EDBDHN COc1ccc(F)cc1[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000271656065 536639466 /nfs/dbraw/zinc/63/94/66/536639466.db2.gz JYFZVTDUJDJKGC-GXFFZTMASA-N 0 3 338.339 1.651 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC[NH2+][C@@H](C)C1 ZINC000262501358 536956497 /nfs/dbraw/zinc/95/64/97/536956497.db2.gz MBWOHMPUZSLELI-UWVGGRQHSA-N 0 3 329.378 1.022 20 5 EDBDHN CN(C)C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000749391177 579724716 /nfs/dbraw/zinc/72/47/16/579724716.db2.gz AYDZGOTVLVPGFO-LBPRGKRZSA-N 0 3 341.433 1.776 20 5 EDBDHN COc1ccccc1[C@@H](O)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749675403 579734419 /nfs/dbraw/zinc/73/44/19/579734419.db2.gz ZAYDCNRKVHAZNK-CVEARBPZSA-N 0 3 332.356 1.960 20 5 EDBDHN CN(C)Cc1ccc(CN(C)C(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000750586010 579772305 /nfs/dbraw/zinc/77/23/05/579772305.db2.gz AXILPUFSASWHMT-UHFFFAOYSA-N 0 3 331.376 1.512 20 5 EDBDHN CC(C)CN1CCO[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754250432 579899370 /nfs/dbraw/zinc/89/93/70/579899370.db2.gz HPLUTTVNVIWLKO-IRXDYDNUSA-N 0 3 337.420 1.575 20 5 EDBDHN CN1CC[C@](O)(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000763142972 580093912 /nfs/dbraw/zinc/09/39/12/580093912.db2.gz BOBPZIGGYPUGGK-AWEZNQCLSA-N 0 3 342.783 1.114 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781611071 580553330 /nfs/dbraw/zinc/55/33/30/580553330.db2.gz WYCCFCZMMOUTRK-CYBMUJFWSA-N 0 3 336.348 1.646 20 5 EDBDHN COc1cc(OCC(=O)NCCN2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000783919415 580608326 /nfs/dbraw/zinc/60/83/26/580608326.db2.gz XSZODZXUFHZFPC-GFCCVEGCSA-N 0 3 337.376 1.583 20 5 EDBDHN C[C@H](c1ccccc1)[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000794716946 580904298 /nfs/dbraw/zinc/90/42/98/580904298.db2.gz ILPHJNWJMLDRDA-OAUYIBNBSA-N 0 3 343.383 1.875 20 5 EDBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796375438 580952516 /nfs/dbraw/zinc/95/25/16/580952516.db2.gz JBOGGBGCFIDAOF-XYPHTWIQSA-N 0 3 335.404 1.423 20 5 EDBDHN CCN1CCN(CCNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000897598366 591576323 /nfs/dbraw/zinc/57/63/23/591576323.db2.gz SBINVGGAMZIRRR-UHFFFAOYSA-N 0 3 334.420 1.579 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)c1C ZINC000899152674 591709452 /nfs/dbraw/zinc/70/94/52/591709452.db2.gz ASJLFWWKRZFMIM-ZDUSSCGKSA-N 0 3 335.404 1.787 20 5 EDBDHN COc1cc(N2CC[C@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])cc1C ZINC000897218484 591773451 /nfs/dbraw/zinc/77/34/51/591773451.db2.gz DFZUVDOSCOEWCZ-UONOGXRCSA-N 0 3 335.404 1.947 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1C ZINC000898087670 591784538 /nfs/dbraw/zinc/78/45/38/591784538.db2.gz ABHLTSDSFAVDGN-ZDUSSCGKSA-N 0 3 348.403 1.404 20 5 EDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CNC2CCN(C)CC2)nn1 ZINC000900534522 592049678 /nfs/dbraw/zinc/04/96/78/592049678.db2.gz GUZNLEXLNHUPHU-ZDUSSCGKSA-N 0 3 344.419 1.979 20 5 EDBDHN COc1cc([C@@H](C)NCCCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903060284 592111711 /nfs/dbraw/zinc/11/17/11/592111711.db2.gz VOKKYWNBQYLPLF-CQSZACIVSA-N 0 3 336.436 1.892 20 5 EDBDHN CN1CCN(C)CC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000907087340 592515037 /nfs/dbraw/zinc/51/50/37/592515037.db2.gz RWLVOEXLKVKBEP-UHFFFAOYSA-N 0 3 346.431 1.579 20 5 EDBDHN C[C@@H]1[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000905541931 592557146 /nfs/dbraw/zinc/55/71/46/592557146.db2.gz SKKRYTXLZWFMNB-BXUZGUMPSA-N 0 3 327.406 1.051 20 5 EDBDHN CC[C@H](CN1CCCC1)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000736102996 592988828 /nfs/dbraw/zinc/98/88/28/592988828.db2.gz WCBPWPDQLFXNNN-CQSZACIVSA-N 0 3 345.403 1.935 20 5 EDBDHN C/C(=C\C(=O)N(CCO)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000911941094 593040486 /nfs/dbraw/zinc/04/04/86/593040486.db2.gz CLDTUAWRBRSCMP-BUHFOSPRSA-N 0 3 347.415 1.913 20 5 EDBDHN CNC(=O)C1(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000839516526 593309276 /nfs/dbraw/zinc/30/92/76/593309276.db2.gz IEJAAMNCTZSDQX-UHFFFAOYSA-N 0 3 334.376 1.572 20 5 EDBDHN CSC[C@@H](C)C(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813102414 593517602 /nfs/dbraw/zinc/51/76/02/593517602.db2.gz RFEYXWJYISRSBF-MNOVXSKESA-N 0 3 332.422 1.433 20 5 EDBDHN CC(COC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)[N+](=O)[O-] ZINC000813110134 593518490 /nfs/dbraw/zinc/51/84/90/593518490.db2.gz ZWFOZBUTTKZAKS-JTQLQIEISA-N 0 3 342.373 1.197 20 5 EDBDHN CC(COC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)[N+](=O)[O-] ZINC000813113839 593518803 /nfs/dbraw/zinc/51/88/03/593518803.db2.gz JVKNICZNLAPCFW-NXEZZACHSA-N 0 3 342.373 1.219 20 5 EDBDHN CC(COC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813113656 593518835 /nfs/dbraw/zinc/51/88/35/593518835.db2.gz HJNSOIBXVNZNJS-YVFTVSHDSA-N 0 3 328.346 1.280 20 5 EDBDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000816562005 593531704 /nfs/dbraw/zinc/53/17/04/593531704.db2.gz VLKJQKQFCYWXFZ-BPLDGKMQSA-N 0 3 342.417 1.574 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000817679597 593623168 /nfs/dbraw/zinc/62/31/68/593623168.db2.gz UPAJJDXOBHLJRY-SNVBAGLBSA-N 0 3 335.389 1.766 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000818986185 593732573 /nfs/dbraw/zinc/73/25/73/593732573.db2.gz HPZSOZZXOOIXLT-AAEUAGOBSA-N 0 3 333.310 1.854 20 5 EDBDHN CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820753566 593881960 /nfs/dbraw/zinc/88/19/60/593881960.db2.gz ZHSIVCHFSHWZGA-JOYOIKCWSA-N 0 3 332.368 1.311 20 5 EDBDHN CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820753566 593881962 /nfs/dbraw/zinc/88/19/62/593881962.db2.gz ZHSIVCHFSHWZGA-JOYOIKCWSA-N 0 3 332.368 1.311 20 5 EDBDHN CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820753566 593881964 /nfs/dbraw/zinc/88/19/64/593881964.db2.gz ZHSIVCHFSHWZGA-JOYOIKCWSA-N 0 3 332.368 1.311 20 5 EDBDHN CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820753566 593881965 /nfs/dbraw/zinc/88/19/65/593881965.db2.gz ZHSIVCHFSHWZGA-JOYOIKCWSA-N 0 3 332.368 1.311 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000821080464 593961187 /nfs/dbraw/zinc/96/11/87/593961187.db2.gz GEXWGUYKDPZQSQ-CQSZACIVSA-N 0 3 335.404 1.788 20 5 EDBDHN CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821164874 593980633 /nfs/dbraw/zinc/98/06/33/593980633.db2.gz LINUXFTXVGAIGS-LLVKDONJSA-N 0 3 331.380 1.553 20 5 EDBDHN CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821164874 593980635 /nfs/dbraw/zinc/98/06/35/593980635.db2.gz LINUXFTXVGAIGS-LLVKDONJSA-N 0 3 331.380 1.553 20 5 EDBDHN CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821164874 593980637 /nfs/dbraw/zinc/98/06/37/593980637.db2.gz LINUXFTXVGAIGS-LLVKDONJSA-N 0 3 331.380 1.553 20 5 EDBDHN CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821164874 593980640 /nfs/dbraw/zinc/98/06/40/593980640.db2.gz LINUXFTXVGAIGS-LLVKDONJSA-N 0 3 331.380 1.553 20 5 EDBDHN CCC(=O)N[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874064 595085638 /nfs/dbraw/zinc/08/56/38/595085638.db2.gz HPFFIEYXWGQAMM-BFVZDQMLSA-N 0 3 326.324 1.990 20 5 EDBDHN CCC(=O)N[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874065 595085773 /nfs/dbraw/zinc/08/57/73/595085773.db2.gz HPFFIEYXWGQAMM-GPCCPHFNSA-N 0 3 326.324 1.990 20 5 EDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN1CCCO ZINC000843899157 595211794 /nfs/dbraw/zinc/21/17/94/595211794.db2.gz YEWUMGAAPKZOBU-GFCCVEGCSA-N 0 3 339.367 1.619 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H](O)c1ccccn1 ZINC000843095595 595286152 /nfs/dbraw/zinc/28/61/52/595286152.db2.gz OHASOXQURDDBIJ-SWLSCSKDSA-N 0 3 333.344 1.053 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000843103723 595287798 /nfs/dbraw/zinc/28/77/98/595287798.db2.gz BRWQBMFFRUIEKZ-KBAYOESNSA-N 0 3 346.383 1.702 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847179657 595371886 /nfs/dbraw/zinc/37/18/86/595371886.db2.gz ATBACCZDOANCTE-VHSXEESVSA-N 0 3 340.767 1.531 20 5 EDBDHN CNC(=O)[C@@]1(C)CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487454 595393569 /nfs/dbraw/zinc/39/35/69/595393569.db2.gz SFXBMGHKBXVQCV-KRWDZBQOSA-N 0 3 343.387 1.874 20 5 EDBDHN CN(C[C@@H]1CCCN1C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490272 595394782 /nfs/dbraw/zinc/39/47/82/595394782.db2.gz YITQRSBDYWBDJW-DLBZAZTESA-N 0 3 346.431 1.894 20 5 EDBDHN COCCN1CCC(OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000847884050 595496800 /nfs/dbraw/zinc/49/68/00/595496800.db2.gz RXFNTGZBFZTLQY-UHFFFAOYSA-N 0 3 340.380 1.180 20 5 EDBDHN [NH3+]C1CCC([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857764042 595599983 /nfs/dbraw/zinc/59/99/83/595599983.db2.gz FMOYVFAROVVRBQ-UHFFFAOYSA-N 0 3 329.303 1.953 20 5 EDBDHN O=C1N(CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000853118558 595671303 /nfs/dbraw/zinc/67/13/03/595671303.db2.gz MWNRTKBAHCEXTP-HZPDHXFCSA-N 0 3 348.403 1.508 20 5 EDBDHN CC(C)(CCC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)[N+](=O)[O-] ZINC000855404942 595695804 /nfs/dbraw/zinc/69/58/04/595695804.db2.gz YOVOGKNUXFHICD-INIZCTEOSA-N 0 3 349.431 1.705 20 5 EDBDHN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000860777332 595792195 /nfs/dbraw/zinc/79/21/95/595792195.db2.gz NNTMIEAINDVVGA-PGUXBMHVSA-N 0 3 346.380 1.609 20 5 EDBDHN C[C@](N)(C(=O)N1CCN(C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870862714 596381138 /nfs/dbraw/zinc/38/11/38/596381138.db2.gz VCSUXHCMVJTWIZ-GOSISDBHSA-N 0 3 346.431 1.856 20 5 EDBDHN COCCN(CCN(C)C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865179955 596503782 /nfs/dbraw/zinc/50/37/82/596503782.db2.gz IQJPRAJSCVCHDA-UHFFFAOYSA-N 0 3 327.356 1.313 20 5 EDBDHN COCCN1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865584614 596618219 /nfs/dbraw/zinc/61/82/19/596618219.db2.gz YEUGGVZPGHASRT-LBPRGKRZSA-N 0 3 325.340 1.113 20 5 EDBDHN CS[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000872224648 596843038 /nfs/dbraw/zinc/84/30/38/596843038.db2.gz HWBUUQAZCYBABD-UMSPYCQHSA-N 0 3 330.431 1.852 20 5 EDBDHN Cc1c(CN[C@H]2CCN(CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000873052419 597172514 /nfs/dbraw/zinc/17/25/14/597172514.db2.gz PGPCGDIXERESNM-KRWDZBQOSA-N 0 3 348.447 1.399 20 5 EDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000876470461 597211695 /nfs/dbraw/zinc/21/16/95/597211695.db2.gz UPGKWVCBTYCDGR-INIZCTEOSA-N 0 3 337.376 1.014 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCOC(=O)C1CN(C2CCCCC2)C1 ZINC000873399538 597272539 /nfs/dbraw/zinc/27/25/39/597272539.db2.gz CQIRBVATWZYTQR-UHFFFAOYSA-N 0 3 336.392 1.907 20 5 EDBDHN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000882987926 597608156 /nfs/dbraw/zinc/60/81/56/597608156.db2.gz UEKZBICEDXFMIC-OAHLLOKOSA-N 0 3 349.435 1.386 20 5 EDBDHN COCC(=O)N1CCC(C)(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000939892256 700029341 /nfs/dbraw/zinc/02/93/41/700029341.db2.gz NDUQOMRZQZXYSA-UHFFFAOYSA-N 0 3 327.406 1.773 20 5 EDBDHN CN(C)Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(F)c1 ZINC000412561379 304018848 /nfs/dbraw/zinc/01/88/48/304018848.db2.gz SRZPGMAWVDRSBF-UHFFFAOYSA-N 0 3 348.334 1.596 20 5 EDBDHN O=C(CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOCC1 ZINC000183361600 235028587 /nfs/dbraw/zinc/02/85/87/235028587.db2.gz DECZJVRRSFQREE-OAHLLOKOSA-N 0 3 333.388 1.364 20 5 EDBDHN NC(=O)[C@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000183911684 235258969 /nfs/dbraw/zinc/25/89/69/235258969.db2.gz XOVHIYJZOFPMRM-KBPBESRZSA-N 0 3 335.360 1.595 20 5 EDBDHN CC1(C)CCN(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000563385240 306331154 /nfs/dbraw/zinc/33/11/54/306331154.db2.gz SUZWTPYHMQRMMM-CYBMUJFWSA-N 0 3 347.419 1.735 20 5 EDBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000104069610 138299518 /nfs/dbraw/zinc/29/95/18/138299518.db2.gz QMEHXEOJSMICRO-INIZCTEOSA-N 0 3 332.404 1.509 20 5 EDBDHN NC(=O)c1cccc(N2CCN(CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000342418374 283385229 /nfs/dbraw/zinc/38/52/29/283385229.db2.gz SNJAKRKVNJHDHK-UHFFFAOYSA-N 0 3 348.403 1.242 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000104747453 204117274 /nfs/dbraw/zinc/11/72/74/204117274.db2.gz CULUBHCEHBIFNU-GFCCVEGCSA-N 0 3 327.406 1.475 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)cc1C ZINC000104747748 204117409 /nfs/dbraw/zinc/11/74/09/204117409.db2.gz XHMGZCGHHRAKOB-ZDUSSCGKSA-N 0 3 341.433 1.784 20 5 EDBDHN C[C@]1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCCN1 ZINC000237536961 139053541 /nfs/dbraw/zinc/05/35/41/139053541.db2.gz HUVGVNWYUJTMKU-BLLLJJGKSA-N 0 3 333.392 1.535 20 5 EDBDHN CC(C)N1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000161140182 206330841 /nfs/dbraw/zinc/33/08/41/206330841.db2.gz LXOIQYYWTZZNPT-HZMBPMFUSA-N 0 3 331.376 1.930 20 5 EDBDHN Cc1cccc([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000248157857 139158897 /nfs/dbraw/zinc/15/88/97/139158897.db2.gz RPZGDQNDQFZSHN-ZBFHGGJFSA-N 0 3 331.376 1.693 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000261735274 139221809 /nfs/dbraw/zinc/22/18/09/139221809.db2.gz ORGTUUADWBZECQ-CYBMUJFWSA-N 0 3 343.405 1.270 20 5 EDBDHN NC[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000415460587 304223594 /nfs/dbraw/zinc/22/35/94/304223594.db2.gz YUAYQEHBEBKYMT-NSHDSACASA-N 0 3 326.740 1.040 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CNCCC1(F)F ZINC000415504088 304225212 /nfs/dbraw/zinc/22/52/12/304225212.db2.gz OUUNQHXEJGSXNJ-NSHDSACASA-N 0 3 330.291 1.722 20 5 EDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262275011 139265729 /nfs/dbraw/zinc/26/57/29/139265729.db2.gz TVCUFELUFMWSIB-DAYGRLMNSA-N 0 3 347.415 1.786 20 5 EDBDHN CN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2cnccc21 ZINC000175843031 207165827 /nfs/dbraw/zinc/16/58/27/207165827.db2.gz VADVSFWNAHXJEX-UHFFFAOYSA-N 0 3 348.384 1.776 20 5 EDBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CNCCO1 ZINC000417731711 251247422 /nfs/dbraw/zinc/24/74/22/251247422.db2.gz SEGMZOYHKRZBFQ-OAHLLOKOSA-N 0 3 336.392 1.205 20 5 EDBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CC[C@H]2O)c1 ZINC000424202391 252159280 /nfs/dbraw/zinc/15/92/80/252159280.db2.gz POZARNXXMSAWNE-GHMZBOCLSA-N 0 3 348.140 1.812 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]2N)cn1 ZINC000424223771 252169326 /nfs/dbraw/zinc/16/93/26/252169326.db2.gz ILXBTRVFYWOTHO-GXTWGEPZSA-N 0 3 333.323 1.034 20 5 EDBDHN Cc1cc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000424421988 252222107 /nfs/dbraw/zinc/22/21/07/252222107.db2.gz ZZGPOIMWDURFSU-UONOGXRCSA-N 0 3 344.375 1.595 20 5 EDBDHN COCCN(C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000263815295 139362391 /nfs/dbraw/zinc/36/23/91/139362391.db2.gz YDABTHZJVAAXPY-UHFFFAOYSA-N 0 3 327.406 1.381 20 5 EDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCN1CCO ZINC000493767573 255221262 /nfs/dbraw/zinc/22/12/62/255221262.db2.gz BFVZHAVMEXDNIO-PTZVLDCSSA-N 0 3 333.388 1.571 20 5 EDBDHN Cc1cc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000270095443 140044732 /nfs/dbraw/zinc/04/47/32/140044732.db2.gz KPVIPOOVAMMFBT-UHFFFAOYSA-N 0 3 344.371 1.879 20 5 EDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270382667 140089997 /nfs/dbraw/zinc/08/99/97/140089997.db2.gz QCLNRIQUADIPKJ-QWHCGFSZSA-N 0 3 326.378 1.985 20 5 EDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000270434861 140099517 /nfs/dbraw/zinc/09/95/17/140099517.db2.gz GPPIABNHLVOWJK-STQMWFEESA-N 0 3 327.381 1.852 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1N(C)C ZINC000270540973 140119807 /nfs/dbraw/zinc/11/98/07/140119807.db2.gz XNIXQQPTBIDNEH-NWDGAFQWSA-N 0 3 342.396 1.434 20 5 EDBDHN CS[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270645305 140140012 /nfs/dbraw/zinc/14/00/12/140140012.db2.gz KNOBZLVESONGCD-KGLIPLIRSA-N 0 3 338.433 1.511 20 5 EDBDHN CS[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271182569 140252414 /nfs/dbraw/zinc/25/24/14/140252414.db2.gz UTFXYPAJVWBZJP-OCCSQVGLSA-N 0 3 339.417 1.478 20 5 EDBDHN CO[C@H]1C[C@H](CO)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000344723937 143003245 /nfs/dbraw/zinc/00/32/45/143003245.db2.gz RCEQNFDZTBURIW-CABCVRRESA-N 0 3 347.371 1.874 20 5 EDBDHN CN(C)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccn1 ZINC000345303983 143075457 /nfs/dbraw/zinc/07/54/57/143075457.db2.gz KRBUHNHPLBERFD-UHFFFAOYSA-N 0 3 333.348 1.521 20 5 EDBDHN Cc1c([C@H](C)NCCNC(=O)c2cnccn2)cccc1[N+](=O)[O-] ZINC000346797461 143246627 /nfs/dbraw/zinc/24/66/27/143246627.db2.gz RPRUHOQYQPXOID-LBPRGKRZSA-N 0 3 329.360 1.774 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)n1 ZINC000346883183 143255858 /nfs/dbraw/zinc/25/58/58/143255858.db2.gz AHWYTJYBOHNEPH-AOOOYVTPSA-N 0 3 345.363 1.717 20 5 EDBDHN Cc1nn(CCC(=O)N(C)[C@H]2CN3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000347922002 143379545 /nfs/dbraw/zinc/37/95/45/143379545.db2.gz FGOYXMXLJKZWLK-AWEZNQCLSA-N 0 3 335.408 1.351 20 5 EDBDHN C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000348307177 143423457 /nfs/dbraw/zinc/42/34/57/143423457.db2.gz LOROBLXHEDJUCP-LLVKDONJSA-N 0 3 345.359 1.977 20 5 EDBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369709747 155143583 /nfs/dbraw/zinc/14/35/83/155143583.db2.gz HGEKRXYHBBWMKR-HNNXBMFYSA-N 0 3 343.387 1.524 20 5 EDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369739559 155156283 /nfs/dbraw/zinc/15/62/83/155156283.db2.gz CFHOOCNULPDCGH-GJZGRUSLSA-N 0 3 348.403 1.300 20 5 EDBDHN COC(=O)COc1ccc(CNCC2(OC)CCC2)cc1[N+](=O)[O-] ZINC000353210166 149325549 /nfs/dbraw/zinc/32/55/49/149325549.db2.gz OXQPZHLOBMBSJQ-UHFFFAOYSA-N 0 3 338.360 1.805 20 5 EDBDHN COc1cc(OCC(=O)N[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000357384616 151014813 /nfs/dbraw/zinc/01/48/13/151014813.db2.gz FLPZGFYDWYYIJC-RYUDHWBXSA-N 0 3 337.376 1.581 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1-c1nc(CC2=N[C@H]3CCCC[C@@H]3N2)no1 ZINC000357953536 151209163 /nfs/dbraw/zinc/20/91/63/151209163.db2.gz GGFRUKOAPIZADP-IUCAKERBSA-N 0 3 331.336 1.234 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC000357974060 151217946 /nfs/dbraw/zinc/21/79/46/151217946.db2.gz LSCZVPQXMVIIDP-OCCSQVGLSA-N 0 3 348.403 1.982 20 5 EDBDHN COc1cnccc1N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000358276132 151323220 /nfs/dbraw/zinc/32/32/20/151323220.db2.gz MWFFHSQSHAYSLR-UHFFFAOYSA-N 0 3 331.332 1.289 20 5 EDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(=O)NCC(F)F ZINC000360919257 152252079 /nfs/dbraw/zinc/25/20/79/152252079.db2.gz MFCGIHXWLIYUPB-VIFPVBQESA-N 0 3 344.318 1.283 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](O)CN1CCCCC1 ZINC000360967074 152264889 /nfs/dbraw/zinc/26/48/89/152264889.db2.gz UZGFKERKOTVWDI-ZDUSSCGKSA-N 0 3 336.392 1.213 20 5 EDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363655421 153023775 /nfs/dbraw/zinc/02/37/75/153023775.db2.gz DNONQAYIXCJURY-MRXNPFEDSA-N 0 3 332.404 1.447 20 5 EDBDHN COc1ccc(NC(=O)CCN2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000364442792 153238441 /nfs/dbraw/zinc/23/84/41/153238441.db2.gz NBZHVOUDRMQIEL-AWEZNQCLSA-N 0 3 335.360 1.389 20 5 EDBDHN O=C1NC[C@]2(CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000364798200 153337443 /nfs/dbraw/zinc/33/74/43/153337443.db2.gz YNMNNFYWFVKGRT-INIZCTEOSA-N 0 3 335.360 1.938 20 5 EDBDHN CN(C(=O)[C@H]1CC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2)C1CC1 ZINC000369503396 155063289 /nfs/dbraw/zinc/06/32/89/155063289.db2.gz LDZHYCZEPVUVCJ-CQSZACIVSA-N 0 3 347.419 1.514 20 5 EDBDHN CN1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000372327309 156335188 /nfs/dbraw/zinc/33/51/88/156335188.db2.gz VTCPHIGCRPFTCG-ZIAGYGMSSA-N 0 3 329.360 1.005 20 5 EDBDHN CN(CCNc1ncc([N+](=O)[O-])cc1C(N)=O)Cc1ccc(F)cc1 ZINC000267183388 273020707 /nfs/dbraw/zinc/02/07/07/273020707.db2.gz KVUBOIDSYPGOEQ-UHFFFAOYSA-N 0 3 347.350 1.772 20 5 EDBDHN COCCCN(CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000275405168 268337914 /nfs/dbraw/zinc/33/79/14/268337914.db2.gz FKJFTAOFFOSZJK-UHFFFAOYSA-N 0 3 328.365 1.313 20 5 EDBDHN O=[N+]([O-])c1cnc(NCCCN2CCN(c3ccncc3)CC2)nc1 ZINC000273672098 273051444 /nfs/dbraw/zinc/05/14/44/273051444.db2.gz XVAKMTQPOZRGPY-UHFFFAOYSA-N 0 3 343.391 1.404 20 5 EDBDHN COc1ccc(CNC(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000275628305 273114777 /nfs/dbraw/zinc/11/47/77/273114777.db2.gz PSCBOLPVEGPOEN-UHFFFAOYSA-N 0 3 336.392 1.887 20 5 EDBDHN CCc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000032734916 272909469 /nfs/dbraw/zinc/90/94/69/272909469.db2.gz NIBPJXWOFRAABL-INIZCTEOSA-N 0 3 345.403 1.773 20 5 EDBDHN COc1cc(N2CCCN([C@@H](C)CO)CC2)c([N+](=O)[O-])cc1F ZINC000364272788 274096292 /nfs/dbraw/zinc/09/62/92/274096292.db2.gz RUBHBSXWDQRDSK-NSHDSACASA-N 0 3 327.356 1.635 20 5 EDBDHN CC1(C)CC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000284230008 274125499 /nfs/dbraw/zinc/12/54/99/274125499.db2.gz HQWUEISKNOOWEG-ZDUSSCGKSA-N 0 3 327.406 1.651 20 5 EDBDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000346469360 274247224 /nfs/dbraw/zinc/24/72/24/274247224.db2.gz BBOMJIRLTCGXHG-RISCZKNCSA-N 0 3 343.405 1.030 20 5 EDBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c(OCCN(C)C)c1 ZINC000286575239 288037743 /nfs/dbraw/zinc/03/77/43/288037743.db2.gz UVRAPSXDKUDMFI-UHFFFAOYSA-N 0 3 333.348 1.819 20 5 EDBDHN C[C@@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000268877442 278369034 /nfs/dbraw/zinc/36/90/34/278369034.db2.gz DYMPYHUHMUKEHO-DGCLKSJQSA-N 0 3 327.406 1.669 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000186036965 279263485 /nfs/dbraw/zinc/26/34/85/279263485.db2.gz LOESPZQRDDRRAT-CYBMUJFWSA-N 0 3 335.408 1.742 20 5 EDBDHN Cc1c(CNC(=O)C(=O)N[C@H](CN)CC(C)C)cccc1[N+](=O)[O-] ZINC000419760961 304681557 /nfs/dbraw/zinc/68/15/57/304681557.db2.gz OVVFFVWXUOSCLC-ZDUSSCGKSA-N 0 3 336.392 1.009 20 5 EDBDHN COC[C@]1(C(=O)OC)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295142937 303179072 /nfs/dbraw/zinc/17/90/72/303179072.db2.gz LFXIZBSPHUPCJE-ZBFHGGJFSA-N 0 3 338.360 1.140 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000295824826 303272618 /nfs/dbraw/zinc/27/26/18/303272618.db2.gz VOWBKMYVTSMSMX-GHMZBOCLSA-N 0 3 325.365 1.539 20 5 EDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000295836933 303273730 /nfs/dbraw/zinc/27/37/30/303273730.db2.gz AHESIXIGCMBZRS-WFASDCNBSA-N 0 3 341.433 1.890 20 5 EDBDHN CC1(C)CCC[NH2+][C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000430373257 305051809 /nfs/dbraw/zinc/05/18/09/305051809.db2.gz DVDHEMXDJAKVHW-VIFPVBQESA-N 0 3 333.435 1.713 20 5 EDBDHN Cc1cc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])n(C2CCN(C)CC2)n1 ZINC000431523110 305078633 /nfs/dbraw/zinc/07/86/33/305078633.db2.gz ZCZBJLBTUNUQBO-UHFFFAOYSA-N 0 3 347.379 1.650 20 5 EDBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000434788447 305130376 /nfs/dbraw/zinc/13/03/76/305130376.db2.gz WOZVOPBHKCBCFW-GJZGRUSLSA-N 0 3 337.376 1.707 20 5 EDBDHN COc1ccc(OCCN[C@H](CO)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447910594 305288761 /nfs/dbraw/zinc/28/87/61/305288761.db2.gz CZLUNDIYLNGVFY-TZMCWYRMSA-N 0 3 326.349 1.112 20 5 EDBDHN O=C1CC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000449700563 305317493 /nfs/dbraw/zinc/31/74/93/305317493.db2.gz PVTRKDLGLJVYMN-HNNXBMFYSA-N 0 3 332.404 1.381 20 5 EDBDHN CS[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000539198954 306034864 /nfs/dbraw/zinc/03/48/64/306034864.db2.gz XULBFQGSRMSMFD-ZIAGYGMSSA-N 0 3 349.416 1.725 20 5 EDBDHN COc1cc(CNC[C@H]2CCOC[C@@H]2OC)c([N+](=O)[O-])cc1OC ZINC000449455181 447374163 /nfs/dbraw/zinc/37/41/63/447374163.db2.gz LCBVFLFPYJUZCX-BZNIZROVSA-N 0 3 340.376 1.753 20 5 EDBDHN CCCC[C@H](CN)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419762077 447400146 /nfs/dbraw/zinc/40/01/46/447400146.db2.gz RHXDWTLKJHAMEL-CYBMUJFWSA-N 0 3 336.392 1.153 20 5 EDBDHN Cc1c(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)cccc1[N+](=O)[O-] ZINC000419762744 447400345 /nfs/dbraw/zinc/40/03/45/447400345.db2.gz SRHXJOXGOZYVRK-XHDPSFHLSA-N 0 3 348.403 1.105 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000044572032 440858602 /nfs/dbraw/zinc/85/86/02/440858602.db2.gz HAECABWVMQVUNQ-OAHLLOKOSA-N 0 3 348.403 1.315 20 5 EDBDHN CC(C)N(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000012141695 441127875 /nfs/dbraw/zinc/12/78/75/441127875.db2.gz OJWQRXTUIINSGY-UHFFFAOYSA-N 0 3 329.422 1.992 20 5 EDBDHN CCN1CCC(N(C(=O)CCn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000063599014 441338715 /nfs/dbraw/zinc/33/87/15/441338715.db2.gz XLXFFNDSDPPCPZ-UHFFFAOYSA-N 0 3 335.408 1.657 20 5 EDBDHN CN1CCN(CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063783740 441354085 /nfs/dbraw/zinc/35/40/85/441354085.db2.gz NWXCZTAAOAJISX-RMKNXTFCSA-N 0 3 346.431 1.752 20 5 EDBDHN COc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000064334125 441373773 /nfs/dbraw/zinc/37/37/73/441373773.db2.gz CHNPVBWUQNAXOS-STQMWFEESA-N 0 3 335.360 1.196 20 5 EDBDHN CN1CCC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000108339690 441447951 /nfs/dbraw/zinc/44/79/51/441447951.db2.gz STZTXNNHERTPHU-CYBMUJFWSA-N 0 3 343.387 1.852 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000075717467 441552073 /nfs/dbraw/zinc/55/20/73/441552073.db2.gz NKYSNTAMKXNTTH-CJNGLKHVSA-N 0 3 334.351 1.781 20 5 EDBDHN C[C@@H](CN1CCCCC1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000032663412 441564152 /nfs/dbraw/zinc/56/41/52/441564152.db2.gz TXLSAJGIIQTEHF-ZDUSSCGKSA-N 0 3 348.403 1.315 20 5 EDBDHN CCN(CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000121555571 441731459 /nfs/dbraw/zinc/73/14/59/441731459.db2.gz VETJOFQIAJHCSW-LBPRGKRZSA-N 0 3 329.422 1.917 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000115586101 441761741 /nfs/dbraw/zinc/76/17/41/441761741.db2.gz FNRXHMGCGSRHFF-CYBMUJFWSA-N 0 3 341.433 1.866 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000124049525 441907087 /nfs/dbraw/zinc/90/70/87/441907087.db2.gz MTISBDRGEURGFZ-CQSZACIVSA-N 0 3 335.408 1.653 20 5 EDBDHN CCc1nn(C)c(NC[C@@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000094157488 441908736 /nfs/dbraw/zinc/90/87/36/441908736.db2.gz UHTKXXZIKBUYIA-GFCCVEGCSA-N 0 3 325.413 1.395 20 5 EDBDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000124169513 441909189 /nfs/dbraw/zinc/90/91/89/441909189.db2.gz MYCSTFIDYOYBIR-CQSZACIVSA-N 0 3 343.387 1.912 20 5 EDBDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000124169513 441909195 /nfs/dbraw/zinc/90/91/95/441909195.db2.gz MYCSTFIDYOYBIR-CQSZACIVSA-N 0 3 343.387 1.912 20 5 EDBDHN CCOCCN(C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000093313799 441876600 /nfs/dbraw/zinc/87/66/00/441876600.db2.gz VGPXHXMLOIOJBR-UHFFFAOYSA-N 0 3 325.365 1.900 20 5 EDBDHN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000144142100 441878658 /nfs/dbraw/zinc/87/86/58/441878658.db2.gz BKJQDLMIKBXXFU-ZFWWWQNUSA-N 0 3 335.404 1.958 20 5 EDBDHN C[C@H]1CCCN(C(=O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000174820372 441971838 /nfs/dbraw/zinc/97/18/38/441971838.db2.gz NFUAZAKJKNTQGS-AWEZNQCLSA-N 0 3 349.435 1.762 20 5 EDBDHN CCN1CCC[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162125800 442066180 /nfs/dbraw/zinc/06/61/80/442066180.db2.gz HITYFUYTXSRAFV-CQSZACIVSA-N 0 3 341.433 1.541 20 5 EDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C[C@@H]1CN ZINC000162334192 442084828 /nfs/dbraw/zinc/08/48/28/442084828.db2.gz TUHCSEUPWYOBTC-YPMHNXCESA-N 0 3 338.433 1.177 20 5 EDBDHN COC1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079999042 442105249 /nfs/dbraw/zinc/10/52/49/442105249.db2.gz KFHOODFBCXOAAN-UHFFFAOYSA-N 0 3 337.376 1.201 20 5 EDBDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221296 442195149 /nfs/dbraw/zinc/19/51/49/442195149.db2.gz BWMZIRQXKVXPSA-KGLIPLIRSA-N 0 3 337.424 1.808 20 5 EDBDHN CN(C)CCN(Cc1ccco1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000121278621 442198301 /nfs/dbraw/zinc/19/83/01/442198301.db2.gz ICSBWNSQCDMVBJ-UHFFFAOYSA-N 0 3 335.364 1.365 20 5 EDBDHN Cc1cc(N2CCCC[C@@H](N3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000127051102 442165583 /nfs/dbraw/zinc/16/55/83/442165583.db2.gz FMHWVKJLGSDSAZ-OAHLLOKOSA-N 0 3 333.436 1.905 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000153345754 442276917 /nfs/dbraw/zinc/27/69/17/442276917.db2.gz KXMDEBGVEZZIPK-CQSZACIVSA-N 0 3 329.784 1.220 20 5 EDBDHN COCCN(CCN(C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171643049 442366428 /nfs/dbraw/zinc/36/64/28/442366428.db2.gz QKEJXHRPIVPGQT-ZDUSSCGKSA-N 0 3 338.408 1.875 20 5 EDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000171953043 442393092 /nfs/dbraw/zinc/39/30/92/442393092.db2.gz SKAPTCGBBVYZPT-AWEZNQCLSA-N 0 3 339.417 1.844 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134258424 442462549 /nfs/dbraw/zinc/46/25/49/442462549.db2.gz UHIUHEFGHAJDRF-GFCCVEGCSA-N 0 3 325.340 1.575 20 5 EDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000173243581 442631445 /nfs/dbraw/zinc/63/14/45/442631445.db2.gz LUTMTXDTQVXASQ-WFASDCNBSA-N 0 3 341.433 1.697 20 5 EDBDHN COC(=O)Cn1cc(CCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000181844175 442719104 /nfs/dbraw/zinc/71/91/04/442719104.db2.gz BGPNMHMTDTYFIL-GFCCVEGCSA-N 0 3 347.375 1.561 20 5 EDBDHN C[C@@H]1CCNC(=O)[C@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000193574813 442755387 /nfs/dbraw/zinc/75/53/87/442755387.db2.gz XDPLUPXYTAQMQI-OTYXRUKQSA-N 0 3 338.339 1.177 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CN1C1CC1 ZINC000182350380 442759151 /nfs/dbraw/zinc/75/91/51/442759151.db2.gz TUPMCOGPHBCBIM-GXSJLCMTSA-N 0 3 333.344 1.679 20 5 EDBDHN CCN1CCC[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000193717676 442772593 /nfs/dbraw/zinc/77/25/93/442772593.db2.gz UPPLFKKZBUNUKB-JTQLQIEISA-N 0 3 328.394 1.138 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)cc1C ZINC000268223130 442906566 /nfs/dbraw/zinc/90/65/66/442906566.db2.gz JRIDNXTYWIYWFI-TZMCWYRMSA-N 0 3 341.433 1.782 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000183455963 442933431 /nfs/dbraw/zinc/93/34/31/442933431.db2.gz HSWCFBKZYUCDFA-ZDUSSCGKSA-N 0 3 348.403 1.091 20 5 EDBDHN [NH3+]CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000194740082 442945628 /nfs/dbraw/zinc/94/56/28/442945628.db2.gz NQBBEIKJCBUJLC-UHFFFAOYSA-N 0 3 341.311 1.631 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000194945397 442971522 /nfs/dbraw/zinc/97/15/22/442971522.db2.gz LDNYAPBHNJPKAR-CQSZACIVSA-N 0 3 336.392 1.481 20 5 EDBDHN CC[C@]1(CO)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249551239 442985803 /nfs/dbraw/zinc/98/58/03/442985803.db2.gz HZIQFOSPXDVESW-PBHICJAKSA-N 0 3 338.404 1.819 20 5 EDBDHN C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000189937914 443033051 /nfs/dbraw/zinc/03/30/51/443033051.db2.gz ODWKCURLWDYVQJ-BBRMVZONSA-N 0 3 337.420 1.405 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000296548905 318706462 /nfs/dbraw/zinc/70/64/62/318706462.db2.gz OOSOWGVJFGJCMO-NSHDSACASA-N 0 3 341.795 1.825 20 5 EDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@](C)(O)CN(C)C ZINC000184897975 443094060 /nfs/dbraw/zinc/09/40/60/443094060.db2.gz FOYKNMQVGWJTCM-YOEHRIQHSA-N 0 3 337.420 1.592 20 5 EDBDHN C[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000255725875 443108827 /nfs/dbraw/zinc/10/88/27/443108827.db2.gz BKUDZWURZPSNML-XHPSBEMXSA-N 0 3 346.431 1.608 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)c1C ZINC000268803078 443113932 /nfs/dbraw/zinc/11/39/32/443113932.db2.gz QRPWJLZLVHFKHM-FZMZJTMJSA-N 0 3 341.433 1.782 20 5 EDBDHN C[C@H](C(=O)N1CCO[C@H](CN(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185249636 443169592 /nfs/dbraw/zinc/16/95/92/443169592.db2.gz ISSUPDVZZGOSDP-WCQYABFASA-N 0 3 339.367 1.626 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1[NH2+]CCCC1(C)C ZINC000261976906 443177599 /nfs/dbraw/zinc/17/75/99/443177599.db2.gz ZSMMOOXVSBHUEV-ZDUSSCGKSA-N 0 3 341.433 1.960 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H](O)C[C@@H]3CO)o2)c1 ZINC000185167454 443153508 /nfs/dbraw/zinc/15/35/08/443153508.db2.gz WCHDSWQRDURGJA-ZIAGYGMSSA-N 0 3 333.344 1.220 20 5 EDBDHN COCCN1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000264478475 443305512 /nfs/dbraw/zinc/30/55/12/443305512.db2.gz HLCOFTWZMJPWTC-NSHDSACASA-N 0 3 332.360 1.527 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCN(C4CCOCC4)CC3)nc2c1 ZINC000278403309 443319687 /nfs/dbraw/zinc/31/96/87/443319687.db2.gz GXBLHVLOUYLKCU-UHFFFAOYSA-N 0 3 331.376 1.772 20 5 EDBDHN NC(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000264545778 443320827 /nfs/dbraw/zinc/32/08/27/443320827.db2.gz BTJKANOETAIHCS-MRXNPFEDSA-N 0 3 343.387 1.895 20 5 EDBDHN CC(C)(C)OC1CC(N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272446287 443321015 /nfs/dbraw/zinc/32/10/15/443321015.db2.gz PCEZDVKZXMHDHB-DISOXQEGSA-N 0 3 338.404 1.925 20 5 EDBDHN COC(=O)C1CCN(CCCNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000264452636 443296964 /nfs/dbraw/zinc/29/69/64/443296964.db2.gz IOIYRJOBAVRHFB-UHFFFAOYSA-N 0 3 336.392 1.985 20 5 EDBDHN CCN1CCN(CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264924008 443478286 /nfs/dbraw/zinc/47/82/86/443478286.db2.gz QMQXXHJUVDXART-UHFFFAOYSA-N 0 3 345.403 1.443 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273374632 443569084 /nfs/dbraw/zinc/56/90/84/443569084.db2.gz HESKGPUSNHXQER-NSHDSACASA-N 0 3 326.328 1.312 20 5 EDBDHN O=C([C@H]1CCCN1C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000279402588 443578293 /nfs/dbraw/zinc/57/82/93/443578293.db2.gz DBCWQBSBEZPSGQ-QGZVFWFLSA-N 0 3 344.415 1.870 20 5 EDBDHN COc1ccc(NC(=O)CCN2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000279851754 443633198 /nfs/dbraw/zinc/63/31/98/443633198.db2.gz SAVMVSPHJFBRGS-CQSZACIVSA-N 0 3 337.376 1.635 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000449415960 320189546 /nfs/dbraw/zinc/18/95/46/320189546.db2.gz QPNZXOHDXWVKBL-AWEZNQCLSA-N 0 3 338.360 1.804 20 5 EDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CNCCC1(F)F ZINC000449661820 320197779 /nfs/dbraw/zinc/19/77/79/320197779.db2.gz JOFUWJVIQWSIPN-CYBMUJFWSA-N 0 3 342.346 1.900 20 5 EDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CNCCC1(F)F ZINC000449668214 320199407 /nfs/dbraw/zinc/19/94/07/320199407.db2.gz WBIQRGIEULVYQB-GFCCVEGCSA-N 0 3 329.303 1.477 20 5 EDBDHN CCc1cccc(OC[C@H](O)CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000566114283 321216696 /nfs/dbraw/zinc/21/66/96/321216696.db2.gz FCRNYHWZOPXTOS-OAHLLOKOSA-N 0 3 334.376 1.383 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C[C@@H]21 ZINC000568357885 321287579 /nfs/dbraw/zinc/28/75/79/321287579.db2.gz IRIPKJFOLAIBFK-WBMJQRKESA-N 0 3 341.371 1.557 20 5 EDBDHN COC[C@@H](C)OC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000278287129 444130060 /nfs/dbraw/zinc/13/00/60/444130060.db2.gz IOZXQMVJWQADPZ-DYVFJYSZSA-N 0 3 338.404 1.972 20 5 EDBDHN COc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1O ZINC000574444832 321483997 /nfs/dbraw/zinc/48/39/97/321483997.db2.gz DKCBLDPDYZDOSZ-ZDUSSCGKSA-N 0 3 348.355 1.839 20 5 EDBDHN CC[C@@H](C)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000296121746 444206506 /nfs/dbraw/zinc/20/65/06/444206506.db2.gz QYFULPKCJHUDLM-HUUCEWRRSA-N 0 3 337.420 1.751 20 5 EDBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)N(C)C ZINC000290278395 444262294 /nfs/dbraw/zinc/26/22/94/444262294.db2.gz WXEGLDOCIMJZTA-LBPRGKRZSA-N 0 3 329.422 1.397 20 5 EDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296402143 444226972 /nfs/dbraw/zinc/22/69/72/444226972.db2.gz KOGXGCBTVBJGJJ-KOLCDFICSA-N 0 3 330.410 1.155 20 5 EDBDHN Cc1cnn([C@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289986931 444227557 /nfs/dbraw/zinc/22/75/57/444227557.db2.gz SBWDAUMKUZLBRL-GJZGRUSLSA-N 0 3 346.387 1.786 20 5 EDBDHN Cc1cc(NC(=O)C(=O)NCCN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000297783209 444333925 /nfs/dbraw/zinc/33/39/25/444333925.db2.gz GUAHDVOJBKXCKQ-UHFFFAOYSA-N 0 3 348.403 1.690 20 5 EDBDHN Cc1ccc(S(=O)(=O)NCCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000337826376 444426468 /nfs/dbraw/zinc/42/64/68/444426468.db2.gz XMLMKRPTRUOXDO-UHFFFAOYSA-N 0 3 327.406 1.667 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580217581 322025635 /nfs/dbraw/zinc/02/56/35/322025635.db2.gz QBNRIHZWXILSEW-IUODEOHRSA-N 0 3 343.387 1.958 20 5 EDBDHN Cn1cc2c(n1)CCC[C@@H]2NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580555156 322066664 /nfs/dbraw/zinc/06/66/64/322066664.db2.gz GZGKKGDTSDRLNT-OCCSQVGLSA-N 0 3 346.387 1.735 20 5 EDBDHN C[C@@H](O)C[C@@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580564272 322068019 /nfs/dbraw/zinc/06/80/19/322068019.db2.gz QMFWKWADSSVNIV-VXGBXAGGSA-N 0 3 330.406 1.365 20 5 EDBDHN CCn1nccc1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338545035 444742095 /nfs/dbraw/zinc/74/20/95/444742095.db2.gz GHNHNMKMUODRQB-CYBMUJFWSA-N 0 3 330.392 1.935 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000342760634 444853025 /nfs/dbraw/zinc/85/30/25/444853025.db2.gz ZRKAPAYXQDTDRS-UONOGXRCSA-N 0 3 346.387 1.937 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2Cn2ccnn2)c1 ZINC000344351084 444913065 /nfs/dbraw/zinc/91/30/65/444913065.db2.gz VHECKKWODHXABS-GJZGRUSLSA-N 0 3 347.375 1.091 20 5 EDBDHN C[C@H]1[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCN1C ZINC000343418186 445218990 /nfs/dbraw/zinc/21/89/90/445218990.db2.gz BJEUFJLACZFMCT-SWLSCSKDSA-N 0 3 343.387 1.993 20 5 EDBDHN C[C@H]1[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCCN1C ZINC000343455721 445226021 /nfs/dbraw/zinc/22/60/21/445226021.db2.gz JQSNKNJZBXHVKB-GXSJLCMTSA-N 0 3 328.394 1.137 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351748340 445306312 /nfs/dbraw/zinc/30/63/12/445306312.db2.gz HRBLEZLIIYAEAI-GFCCVEGCSA-N 0 3 340.355 1.966 20 5 EDBDHN Cc1c(CN2CCN(C(=O)CN3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000343645945 445279913 /nfs/dbraw/zinc/27/99/13/445279913.db2.gz QQWKAPLBDOBLJL-UHFFFAOYSA-N 0 3 346.431 1.643 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])N(C)C1 ZINC000348707103 445350341 /nfs/dbraw/zinc/35/03/41/445350341.db2.gz WRDTVRSAAJGMPV-OLZOCXBDSA-N 0 3 336.392 1.184 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348779905 445377503 /nfs/dbraw/zinc/37/75/03/445377503.db2.gz GBVWPQCLMOLDCV-AWEZNQCLSA-N 0 3 343.387 1.580 20 5 EDBDHN COCCO[C@@H]1COCC[C@@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000362517000 445420613 /nfs/dbraw/zinc/42/06/13/445420613.db2.gz VLQKYFRMRYENHN-XJKSGUPXSA-N 0 3 340.376 1.514 20 5 EDBDHN CC(C)C[C@H](CN(C)C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000362625854 445468342 /nfs/dbraw/zinc/46/83/42/445468342.db2.gz YZRUGJOAWFASPP-GFCCVEGCSA-N 0 3 325.413 1.619 20 5 EDBDHN CCN1CCC(N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C2CC2)CC1 ZINC000360124782 445581061 /nfs/dbraw/zinc/58/10/61/445581061.db2.gz WYXOXTRDBYKKPZ-UHFFFAOYSA-N 0 3 348.403 1.232 20 5 EDBDHN CCc1ccc(C(=O)N2CC[C@@H](N(C)CCO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356073074 445603205 /nfs/dbraw/zinc/60/32/05/445603205.db2.gz XBTZRJPZBBQBLI-SWLSCSKDSA-N 0 3 335.404 1.684 20 5 EDBDHN CC(C)OCC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000349857568 445701809 /nfs/dbraw/zinc/70/18/09/445701809.db2.gz VJXMPULSMPWAFL-ZFWWWQNUSA-N 0 3 338.408 1.652 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000366188502 446072631 /nfs/dbraw/zinc/07/26/31/446072631.db2.gz APJKZBNLQNUHHS-MRXNPFEDSA-N 0 3 333.388 1.507 20 5 EDBDHN CN1C(=O)C[C@@H](NCCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(F)cc1 ZINC000365190899 446073441 /nfs/dbraw/zinc/07/34/41/446073441.db2.gz PNCQYRKUOIXIQK-CZUORRHYSA-N 0 3 347.350 1.492 20 5 EDBDHN Nc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366201399 446080170 /nfs/dbraw/zinc/08/01/70/446080170.db2.gz LYPYLULSHDFXAK-CYBMUJFWSA-N 0 3 334.376 1.160 20 5 EDBDHN C[C@H]1C[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000359314005 446143160 /nfs/dbraw/zinc/14/31/60/446143160.db2.gz ONDNJKKNFJDZFB-RYUDHWBXSA-N 0 3 343.405 1.030 20 5 EDBDHN CN1CC[C@@]2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000366560947 446262354 /nfs/dbraw/zinc/26/23/54/446262354.db2.gz SNRPWOBGOIEABF-QGZVFWFLSA-N 0 3 332.404 1.951 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375059276 446553155 /nfs/dbraw/zinc/55/31/55/446553155.db2.gz JKWQZRBZWMRONB-BXUZGUMPSA-N 0 3 332.360 1.086 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[NH2+]C2CC2)c1C ZINC000420452989 446628730 /nfs/dbraw/zinc/62/87/30/446628730.db2.gz TXTRWYUDXBXUDX-UHFFFAOYSA-N 0 3 327.406 1.632 20 5 EDBDHN CN(C(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000375279008 446690382 /nfs/dbraw/zinc/69/03/82/446690382.db2.gz DPNMXMFUPBZXPE-WMLDXEAASA-N 0 3 346.387 1.204 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000371545724 446925861 /nfs/dbraw/zinc/92/58/61/446925861.db2.gz JDFOTTPWIUZTII-UKRRQHHQSA-N 0 3 347.371 1.339 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375831075 447087739 /nfs/dbraw/zinc/08/77/39/447087739.db2.gz MIDAXZPHKRTLJH-ZBFHGGJFSA-N 0 3 332.404 1.873 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCCN(CC(C)(C)O)CC1 ZINC000372558746 447140601 /nfs/dbraw/zinc/14/06/01/447140601.db2.gz VMEPRXGWVFIPNQ-UHFFFAOYSA-N 0 3 337.420 1.882 20 5 EDBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ncc([N+](=O)[O-])cn1 ZINC000372573988 447153222 /nfs/dbraw/zinc/15/32/22/447153222.db2.gz UKEDDTZXUUYXBN-ZFWWWQNUSA-N 0 3 328.376 1.909 20 5 EDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000375966344 447179650 /nfs/dbraw/zinc/17/96/50/447179650.db2.gz YXCSISFKZHLCJG-INIZCTEOSA-N 0 3 326.356 1.794 20 5 EDBDHN COC(=O)CC1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000459389938 447648771 /nfs/dbraw/zinc/64/87/71/447648771.db2.gz OGGHIMMCMQEIGP-LBPRGKRZSA-N 0 3 338.360 1.410 20 5 EDBDHN CC(COC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[N+](=O)[O-] ZINC000495946664 447666259 /nfs/dbraw/zinc/66/62/59/447666259.db2.gz CZZUNUQZGWOAPI-WDEREUQCSA-N 0 3 332.353 1.221 20 5 EDBDHN O=[N+]([O-])c1ccccc1CNCC1(N2CCOCC2)CCOCC1 ZINC000459708428 447746626 /nfs/dbraw/zinc/74/66/26/447746626.db2.gz JZPXMDQQULZXSS-UHFFFAOYSA-N 0 3 335.404 1.566 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000530768678 447952753 /nfs/dbraw/zinc/95/27/53/447952753.db2.gz HIIJRGRLEMJIRM-ZDUSSCGKSA-N 0 3 335.408 1.648 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCCOc3ccccc32)c1 ZINC000576148969 447983423 /nfs/dbraw/zinc/98/34/23/447983423.db2.gz CGPHIRNUBKTVJS-UKRRQHHQSA-N 0 3 332.360 1.656 20 5 EDBDHN CN(C)[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccccc1 ZINC000558688403 448201920 /nfs/dbraw/zinc/20/19/20/448201920.db2.gz ITDDJJXUUMMOEH-ZDUSSCGKSA-N 0 3 329.360 1.605 20 5 EDBDHN CN1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1(C)C ZINC000514946944 448232047 /nfs/dbraw/zinc/23/20/47/448232047.db2.gz MTJATUFSTKSJDP-UHFFFAOYSA-N 0 3 348.403 1.919 20 5 EDBDHN O=C(CCN[C@H](CO)Cc1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000515059902 448252101 /nfs/dbraw/zinc/25/21/01/448252101.db2.gz GNQGHKFRAGWBDE-AWEZNQCLSA-N 0 3 344.371 1.512 20 5 EDBDHN CN1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000591352729 448336533 /nfs/dbraw/zinc/33/65/33/448336533.db2.gz AANHUZLJEMJGKM-INIZCTEOSA-N 0 3 349.435 1.202 20 5 EDBDHN Cn1cncc1CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572658647 448432706 /nfs/dbraw/zinc/43/27/06/448432706.db2.gz BJBLTEAAWRFHFT-ZDUSSCGKSA-N 0 3 330.392 1.842 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1 ZINC000592246395 448761686 /nfs/dbraw/zinc/76/16/86/448761686.db2.gz MGXOYTDCZCFFJR-CYBMUJFWSA-N 0 3 335.360 1.436 20 5 EDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)CN(C)C ZINC000588866517 448942673 /nfs/dbraw/zinc/94/26/73/448942673.db2.gz KREQTGXWDPKHAS-QWRGUYRKSA-N 0 3 327.406 1.114 20 5 EDBDHN CN(C)Cc1cccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000548410518 449038302 /nfs/dbraw/zinc/03/83/02/449038302.db2.gz LPHGXZCALUWSAG-UHFFFAOYSA-N 0 3 329.360 1.564 20 5 EDBDHN C[C@@H](C(=O)N[C@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000582222981 449040007 /nfs/dbraw/zinc/04/00/07/449040007.db2.gz OKACSMHVLMQVFM-HIFRSBDPSA-N 0 3 335.404 1.661 20 5 EDBDHN CN1C[C@H]2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@H]2C1 ZINC000590010541 449095145 /nfs/dbraw/zinc/09/51/45/449095145.db2.gz ODDXCBCXJMXGFA-OCCSQVGLSA-N 0 3 329.360 1.781 20 5 EDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593596274 449097241 /nfs/dbraw/zinc/09/72/41/449097241.db2.gz ZVGPVCXEPHCPOJ-YPMHNXCESA-N 0 3 340.405 1.237 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000590044781 449099571 /nfs/dbraw/zinc/09/95/71/449099571.db2.gz NJIDQYMUTSZNDL-CZUORRHYSA-N 0 3 328.372 1.712 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CO)C2CCOCC2)c1 ZINC000593022718 449106092 /nfs/dbraw/zinc/10/60/92/449106092.db2.gz JAYJFFZHHUCJKK-CQSZACIVSA-N 0 3 338.360 1.259 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000593034133 449109496 /nfs/dbraw/zinc/10/94/96/449109496.db2.gz IZGYTRFLQWNBQT-GUTXKFCHSA-N 0 3 334.372 1.974 20 5 EDBDHN CCOc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599939583 449118322 /nfs/dbraw/zinc/11/83/22/449118322.db2.gz XPIFLYYMPVVVIP-UONOGXRCSA-N 0 3 349.387 1.275 20 5 EDBDHN O=C1CC[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595737279 449139854 /nfs/dbraw/zinc/13/98/54/449139854.db2.gz HSVSRFBOOUFDFP-CZUORRHYSA-N 0 3 333.388 1.964 20 5 EDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@]2(O)CCOC2)c1 ZINC000593671354 449141653 /nfs/dbraw/zinc/14/16/53/449141653.db2.gz QUXNQQFPKJIFLI-AWEZNQCLSA-N 0 3 332.303 1.827 20 5 EDBDHN COc1cc(CNCC[C@]2(O)CCOC2)c([N+](=O)[O-])cc1OC ZINC000593671818 449142415 /nfs/dbraw/zinc/14/24/15/449142415.db2.gz UOZAKGFLROJURK-HNNXBMFYSA-N 0 3 326.349 1.243 20 5 EDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590401482 449148543 /nfs/dbraw/zinc/14/85/43/449148543.db2.gz KYHXBNGAPJMXKC-JKSUJKDBSA-N 0 3 333.388 1.459 20 5 EDBDHN C[C@@]12COC[C@H]1CN(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000595755402 449149496 /nfs/dbraw/zinc/14/94/96/449149496.db2.gz ADKPVEBKJCBJPD-SJKOYZFVSA-N 0 3 347.371 1.861 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000590589914 449204512 /nfs/dbraw/zinc/20/45/12/449204512.db2.gz STGFCSZPUZGKAJ-YPMHNXCESA-N 0 3 327.406 1.616 20 5 EDBDHN C[C@@]1(NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000593878754 449257472 /nfs/dbraw/zinc/25/74/72/449257472.db2.gz KUOCSWCOKUZOCU-MRXNPFEDSA-N 0 3 329.360 1.712 20 5 EDBDHN C[C@@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000593878754 449257477 /nfs/dbraw/zinc/25/74/77/449257477.db2.gz KUOCSWCOKUZOCU-MRXNPFEDSA-N 0 3 329.360 1.712 20 5 EDBDHN Cc1c(CN)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])nn1C ZINC000595962850 449284503 /nfs/dbraw/zinc/28/45/03/449284503.db2.gz VRPGBLYKHZYDSZ-UHFFFAOYSA-N 0 3 332.364 1.536 20 5 EDBDHN CN1CC[NH+](CC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000596088370 449357296 /nfs/dbraw/zinc/35/72/96/449357296.db2.gz PMSCJKRRUBDWJH-UHFFFAOYSA-N 0 3 335.408 1.159 20 5 EDBDHN C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[C@H]1N1CCN(C)CC1 ZINC000596181115 449401199 /nfs/dbraw/zinc/40/11/99/449401199.db2.gz WVUQHKASCZUTFS-GXTWGEPZSA-N 0 3 334.424 1.034 20 5 EDBDHN NC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000594450524 449526847 /nfs/dbraw/zinc/52/68/47/449526847.db2.gz AOGWBBKUOTZOEH-SECBINFHSA-N 0 3 325.674 1.797 20 5 EDBDHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000596454838 449511013 /nfs/dbraw/zinc/51/10/13/449511013.db2.gz VNUNKFKXNGNWFR-UHFFFAOYSA-N 0 3 338.383 1.568 20 5 EDBDHN C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)CN1CCN(C)CC1 ZINC000602542080 449662581 /nfs/dbraw/zinc/66/25/81/449662581.db2.gz SJVKPWPLJXQWJJ-ZDUSSCGKSA-N 0 3 347.419 1.709 20 5 EDBDHN C[C@@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000598895907 449634738 /nfs/dbraw/zinc/63/47/38/449634738.db2.gz ARVXHMWWEBFVGD-NSHDSACASA-N 0 3 349.391 1.315 20 5 EDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCN1C1CCCCC1 ZINC000599127114 449751545 /nfs/dbraw/zinc/75/15/45/449751545.db2.gz OFKNDJMNMGKZMM-GFCCVEGCSA-N 0 3 333.392 1.908 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCSC1 ZINC000601276259 449792709 /nfs/dbraw/zinc/79/27/09/449792709.db2.gz JGXTVYUIGPFQDJ-CQSZACIVSA-N 0 3 327.381 1.901 20 5 EDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC(N2CC=CC2)CC1 ZINC000602955427 449956899 /nfs/dbraw/zinc/95/68/99/449956899.db2.gz ZMIQHMHWJPOKDC-UHFFFAOYSA-N 0 3 331.376 1.588 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCCN(C)C1 ZINC000599413114 449957423 /nfs/dbraw/zinc/95/74/23/449957423.db2.gz SRZIBJHTQLSZMW-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN NS(=O)(=O)c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000609101030 449959616 /nfs/dbraw/zinc/95/96/16/449959616.db2.gz FVDGIIANICVSME-UHFFFAOYSA-N 0 3 341.414 1.636 20 5 EDBDHN N[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595261805 449983947 /nfs/dbraw/zinc/98/39/47/449983947.db2.gz DTDKUUAEFLYUGF-HUUCEWRRSA-N 0 3 338.383 1.998 20 5 EDBDHN CCOC1CC(O)(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000618198616 450053067 /nfs/dbraw/zinc/05/30/67/450053067.db2.gz UXUAEQQODSIWBV-UHFFFAOYSA-N 0 3 338.360 1.386 20 5 EDBDHN COc1cccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000618231909 450087059 /nfs/dbraw/zinc/08/70/59/450087059.db2.gz SVQUZNKQWNVPDW-ZDUSSCGKSA-N 0 3 349.387 1.587 20 5 EDBDHN CNc1c(C(=O)N2CCC[C@](O)(CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000597574832 450119301 /nfs/dbraw/zinc/11/93/01/450119301.db2.gz SCPYFTKAXACJDA-INIZCTEOSA-N 0 3 336.392 1.165 20 5 EDBDHN O=C1[C@@H](N2C[C@@H]3CCC[C@]3(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599637504 450119357 /nfs/dbraw/zinc/11/93/57/450119357.db2.gz IDRZGDHZTVTVDN-QANKJYHBSA-N 0 3 345.399 1.795 20 5 EDBDHN O=C1[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CCN1C1CCOCC1 ZINC000610480601 450236645 /nfs/dbraw/zinc/23/66/45/450236645.db2.gz DLUZWZHHJJWVAY-INIZCTEOSA-N 0 3 333.388 1.507 20 5 EDBDHN CN1CCCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000285205697 491003770 /nfs/dbraw/zinc/00/37/70/491003770.db2.gz SZDWDIWFKAYFPK-UHFFFAOYSA-N 0 3 344.375 1.712 20 5 EDBDHN CN1CC[C@H](Cn2nnnc2Sc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000131985682 536477754 /nfs/dbraw/zinc/47/77/54/536477754.db2.gz FKZLYXGAGWFUSR-VIFPVBQESA-N 0 3 338.368 1.823 20 5 EDBDHN CN(C)CCOCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000345991998 535901018 /nfs/dbraw/zinc/90/10/18/535901018.db2.gz CPQMTYYUPAUJKA-UHFFFAOYSA-N 0 3 347.375 1.089 20 5 EDBDHN COc1cc(C(=O)NCC2=CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000271881635 536893370 /nfs/dbraw/zinc/89/33/70/536893370.db2.gz CCGZPTWTWZZJHS-UHFFFAOYSA-N 0 3 335.360 1.604 20 5 EDBDHN CC(C)N1CCN(C2CCN(Cn3nccc3[N+](=O)[O-])CC2)CC1 ZINC000760284870 580027070 /nfs/dbraw/zinc/02/70/70/580027070.db2.gz HFQAJVIOTBTKIZ-UHFFFAOYSA-N 0 3 336.440 1.239 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000750094804 579751795 /nfs/dbraw/zinc/75/17/95/579751795.db2.gz RECMGYCLQWBJHK-YOEHRIQHSA-N 0 3 335.404 1.282 20 5 EDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000755203065 579922686 /nfs/dbraw/zinc/92/26/86/579922686.db2.gz RRDDXURLYFKFSZ-RKXUAZDKSA-N 0 3 345.399 1.978 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)OCC1CCN(Cc2ccco2)CC1 ZINC000772693315 580317993 /nfs/dbraw/zinc/31/79/93/580317993.db2.gz LPGFUFYGFLOCNT-UHFFFAOYSA-N 0 3 348.359 1.840 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOCCS(C)(=O)=O ZINC000773012008 580325100 /nfs/dbraw/zinc/32/51/00/580325100.db2.gz CBJRPKBRYFPCQF-LBPRGKRZSA-N 0 3 330.406 1.615 20 5 EDBDHN COC[C@@](C)(CC(=O)OC)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591519 580423022 /nfs/dbraw/zinc/42/30/22/580423022.db2.gz OEZKDDPFVRUCGA-DZGCQCFKSA-N 0 3 326.349 1.186 20 5 EDBDHN C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCCC1 ZINC000778638114 580469275 /nfs/dbraw/zinc/46/92/75/580469275.db2.gz SBDSEWBNZRQRPK-LLVKDONJSA-N 0 3 335.360 1.928 20 5 EDBDHN CN1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000781597944 580553111 /nfs/dbraw/zinc/55/31/11/580553111.db2.gz SAENRCMCNYTGDL-UHFFFAOYSA-N 0 3 336.348 1.600 20 5 EDBDHN CC1(C)CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 ZINC000782003778 580563600 /nfs/dbraw/zinc/56/36/00/580563600.db2.gz DTJKRDRXIWAYBW-UHFFFAOYSA-N 0 3 336.348 1.646 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2C[C@@]2(CO)C1 ZINC000782626136 580580972 /nfs/dbraw/zinc/58/09/72/580580972.db2.gz ZHLHKGPUHSBPSS-BZNIZROVSA-N 0 3 335.360 1.246 20 5 EDBDHN CCNS(=O)(=O)CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000786812627 580679923 /nfs/dbraw/zinc/67/99/23/580679923.db2.gz IHYLPPSTALTTDW-XFXZXTDPSA-N 0 3 327.406 1.527 20 5 EDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000792876016 580829916 /nfs/dbraw/zinc/82/99/16/580829916.db2.gz KDYPCCHGSFAAEV-ZDUSSCGKSA-N 0 3 325.321 1.380 20 5 EDBDHN C[C@@]1(C(N)=O)CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000794708389 580904011 /nfs/dbraw/zinc/90/40/11/580904011.db2.gz AAHTUJZVGSUXAL-MRXNPFEDSA-N 0 3 329.360 1.613 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000892200758 590862213 /nfs/dbraw/zinc/86/22/13/590862213.db2.gz HSDONAOUOIQBOP-SUMWQHHRSA-N 0 3 348.403 1.697 20 5 EDBDHN CN1CCN(CCCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000891591035 591138979 /nfs/dbraw/zinc/13/89/79/591138979.db2.gz FISZULDBZZDOLG-UHFFFAOYSA-N 0 3 347.394 1.753 20 5 EDBDHN COc1cc(OCC(=O)N[C@]2(C)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892784614 591175474 /nfs/dbraw/zinc/17/54/74/591175474.db2.gz JNLQEXLLDPUYQM-QGZVFWFLSA-N 0 3 349.387 1.583 20 5 EDBDHN C[C@@H]1[C@H](Nc2ncnc(N[C@@H]3CCN(C)[C@H]3C)c2[N+](=O)[O-])CCN1C ZINC000895734853 591264658 /nfs/dbraw/zinc/26/46/58/591264658.db2.gz ANXPXQDUKQATTI-YVECIDJPSA-N 0 3 349.439 1.394 20 5 EDBDHN COCCN(CC[NH+](C)C)Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000894460280 591318513 /nfs/dbraw/zinc/31/85/13/591318513.db2.gz VCANIPUBQASPJF-UHFFFAOYSA-N 0 3 327.381 1.319 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCN1C1CCOCC1 ZINC000896517097 591488195 /nfs/dbraw/zinc/48/81/95/591488195.db2.gz DBRCGLDMSQILDG-CQSZACIVSA-N 0 3 348.403 1.620 20 5 EDBDHN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1CN2CCN1CCC2 ZINC000899219524 591731213 /nfs/dbraw/zinc/73/12/13/591731213.db2.gz XIZLJSDIXFVJBU-OAHLLOKOSA-N 0 3 341.371 1.471 20 5 EDBDHN COCC[C@H]1CNCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000900438983 592018512 /nfs/dbraw/zinc/01/85/12/592018512.db2.gz KELGNFZASRUTPB-LBPRGKRZSA-N 0 3 337.376 1.505 20 5 EDBDHN C[C@@H]1[C@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CCN1C ZINC000900666529 592085557 /nfs/dbraw/zinc/08/55/57/592085557.db2.gz NKJYJXDQSUXCNI-MLGOLLRUSA-N 0 3 343.387 1.662 20 5 EDBDHN C/C(=C/C(=O)N[C@@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000908204655 592381529 /nfs/dbraw/zinc/38/15/29/592381529.db2.gz SGLWUBWCNGCRRT-VSKPTYQZSA-N 0 3 333.388 1.571 20 5 EDBDHN CCN1CC[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000905438726 592534839 /nfs/dbraw/zinc/53/48/39/592534839.db2.gz BBHQSDJSBFBPEM-ZDUSSCGKSA-N 0 3 327.406 1.052 20 5 EDBDHN CN(CCN(C)C1CC1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804621546 593427934 /nfs/dbraw/zinc/42/79/34/593427934.db2.gz WGZCWVJMXYETSU-UHFFFAOYSA-N 0 3 333.392 1.316 20 5 EDBDHN CC(COC(=O)CCn1c(=O)oc2cc(Cl)ccc21)[N+](=O)[O-] ZINC000813112215 593518579 /nfs/dbraw/zinc/51/85/79/593518579.db2.gz OAXAQSFJTDZRRL-QMMMGPOBSA-N 0 3 328.708 1.846 20 5 EDBDHN CC(COC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)[N+](=O)[O-] ZINC000813113102 593518896 /nfs/dbraw/zinc/51/88/96/593518896.db2.gz AXJNCYLIZCPDLZ-SFCYXTAJSA-N 0 3 338.404 1.918 20 5 EDBDHN CC(COC(=O)CNC(=O)Cc1cccc2ccccc21)[N+](=O)[O-] ZINC000813114211 593518944 /nfs/dbraw/zinc/51/89/44/593518944.db2.gz NQCBYMZBQQRWNN-GFCCVEGCSA-N 0 3 330.340 1.707 20 5 EDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000816750996 593547482 /nfs/dbraw/zinc/54/74/82/593547482.db2.gz XPDYXPXDZOTYGA-UKRRQHHQSA-N 0 3 334.376 1.112 20 5 EDBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000813760678 593554042 /nfs/dbraw/zinc/55/40/42/593554042.db2.gz ZKPCORMCJPTCNL-LBPRGKRZSA-N 0 3 331.419 1.373 20 5 EDBDHN CN(C[C@@H]1CCCN1C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000817374244 593598049 /nfs/dbraw/zinc/59/80/49/593598049.db2.gz QTKVYAPQIBFCGU-NSHDSACASA-N 0 3 332.360 1.174 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000819215457 593744629 /nfs/dbraw/zinc/74/46/29/593744629.db2.gz HRQQWYFKWGCCTQ-HUUCEWRRSA-N 0 3 338.360 1.140 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000820307726 593808321 /nfs/dbraw/zinc/80/83/21/593808321.db2.gz BTAJUMWXIYKILC-GFCCVEGCSA-N 0 3 335.408 1.433 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000823717604 593841031 /nfs/dbraw/zinc/84/10/31/593841031.db2.gz PCOUIMISGOYJRV-LBPRGKRZSA-N 0 3 341.795 1.825 20 5 EDBDHN CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821182016 593984849 /nfs/dbraw/zinc/98/48/49/593984849.db2.gz RTXPBIYVQIYPMY-JTQLQIEISA-N 0 3 332.368 1.090 20 5 EDBDHN CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821182016 593984851 /nfs/dbraw/zinc/98/48/51/593984851.db2.gz RTXPBIYVQIYPMY-JTQLQIEISA-N 0 3 332.368 1.090 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(N3CCNCC3)no2)c1 ZINC000823304457 594183019 /nfs/dbraw/zinc/18/30/19/594183019.db2.gz XEIYYGVIHLYCKH-UHFFFAOYSA-N 0 3 344.375 1.655 20 5 EDBDHN COC(=O)Cc1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000827543115 594229187 /nfs/dbraw/zinc/22/91/87/594229187.db2.gz QVBOCNVSXUHAHA-CQSZACIVSA-N 0 3 333.388 1.985 20 5 EDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828041077 594328588 /nfs/dbraw/zinc/32/85/88/594328588.db2.gz OPCPRSKBNPZSTQ-LRDDRELGSA-N 0 3 335.404 1.817 20 5 EDBDHN CN1CCN(C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000827455515 594673890 /nfs/dbraw/zinc/67/38/90/594673890.db2.gz BTCRPQITMJQZLL-UHFFFAOYSA-N 0 3 346.431 1.376 20 5 EDBDHN CN1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000827473307 594675552 /nfs/dbraw/zinc/67/55/52/594675552.db2.gz HVJZMSSZCDIZCF-UHFFFAOYSA-N 0 3 338.433 1.508 20 5 EDBDHN CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)CN(C)C ZINC000831731965 594697357 /nfs/dbraw/zinc/69/73/57/594697357.db2.gz YGPNSJXYOFIQAO-LBPRGKRZSA-N 0 3 346.387 1.840 20 5 EDBDHN COC(=O)[C@H]1CN(C)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000840956813 594832860 /nfs/dbraw/zinc/83/28/60/594832860.db2.gz FEMKAYBHEWVHSM-LBPRGKRZSA-N 0 3 341.795 1.785 20 5 EDBDHN CC(C)N1CC[C@H](N(C)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000837187206 595052674 /nfs/dbraw/zinc/05/26/74/595052674.db2.gz YBJGLZKVRVMBAD-HNNXBMFYSA-N 0 3 345.403 1.886 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843428257 595108616 /nfs/dbraw/zinc/10/86/16/595108616.db2.gz GSLAZHIFSBSHNV-NSHDSACASA-N 0 3 340.811 1.800 20 5 EDBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN[C@H](C)C1 ZINC000842473445 595113519 /nfs/dbraw/zinc/11/35/19/595113519.db2.gz JTAALXWTTAAGJW-ZJUUUORDSA-N 0 3 326.784 1.869 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000834563223 595163160 /nfs/dbraw/zinc/16/31/60/595163160.db2.gz BETISLLQEYPVAY-GPZRYRNASA-N 0 3 347.415 1.913 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CCCc3c2cnn3CCO)cc1 ZINC000843064057 595278354 /nfs/dbraw/zinc/27/83/54/595278354.db2.gz FTELMSKPCZAUHQ-DOTOQJQBSA-N 0 3 346.387 1.484 20 5 EDBDHN Cc1ccc([C@@H](O)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000843084958 595283620 /nfs/dbraw/zinc/28/36/20/595283620.db2.gz DYDAWMVMNRMGFC-ZFWWWQNUSA-N 0 3 336.344 1.559 20 5 EDBDHN Cc1cccc([C@H](O)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000843088408 595284119 /nfs/dbraw/zinc/28/41/19/595284119.db2.gz NFSNZSCHVDHBSR-FUHWJXTLSA-N 0 3 346.383 1.966 20 5 EDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)c1cccc(F)c1 ZINC000843104030 595287678 /nfs/dbraw/zinc/28/76/78/595287678.db2.gz NRVFARKNQAETEW-LKTVYLICSA-N 0 3 338.339 1.003 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H](O)Cc2cccc(F)c2)c1 ZINC000843101608 595287705 /nfs/dbraw/zinc/28/77/05/595287705.db2.gz NHKYNAFDQXIJNC-IRXDYDNUSA-N 0 3 334.347 1.961 20 5 EDBDHN NC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000848597535 595414484 /nfs/dbraw/zinc/41/44/84/595414484.db2.gz PCSPRYYUTGFNLQ-VIFPVBQESA-N 0 3 340.689 1.937 20 5 EDBDHN C[C@H]1C[C@@H]([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000857766749 595600797 /nfs/dbraw/zinc/60/07/97/595600797.db2.gz RWIKSAKKEBFVCT-UWVGGRQHSA-N 0 3 329.303 1.823 20 5 EDBDHN [NH3+]C[C@@H]1CC[C@H]([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857766221 595600923 /nfs/dbraw/zinc/60/09/23/595600923.db2.gz OAAYQLWNLMMYAS-ZJUUUORDSA-N 0 3 329.303 1.810 20 5 EDBDHN O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852434305 596159219 /nfs/dbraw/zinc/15/92/19/596159219.db2.gz FMVLCXSSGLQLPN-LBPRGKRZSA-N 0 3 348.359 1.450 20 5 EDBDHN Cc1ccc([C@H](C)NC[C@]23COCCN2C(=O)COC3)cc1[N+](=O)[O-] ZINC000866555044 596249368 /nfs/dbraw/zinc/24/93/68/596249368.db2.gz KIVKWMQCBIBOLS-SUMWQHHRSA-N 0 3 349.387 1.182 20 5 EDBDHN NC(=O)[C@@H]1CCCN1CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862465253 596333996 /nfs/dbraw/zinc/33/39/96/596333996.db2.gz PDILWMLTXZAXSY-AWEZNQCLSA-N 0 3 340.811 1.678 20 5 EDBDHN COCCN1CCC(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865015378 596444903 /nfs/dbraw/zinc/44/49/03/596444903.db2.gz URLXPPDPSLOQGQ-UHFFFAOYSA-N 0 3 339.367 1.503 20 5 EDBDHN CN1CCC(NC(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)CC1 ZINC000865368032 596553160 /nfs/dbraw/zinc/55/31/60/596553160.db2.gz KONNLWPEUROYJN-UHFFFAOYSA-N 0 3 344.371 1.120 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(N2CCN(C[C@@H]3CCOC3)CC2)cc1F ZINC000865592235 596620251 /nfs/dbraw/zinc/62/02/51/596620251.db2.gz QUYUZBPZAGMBQC-LBPRGKRZSA-N 0 3 339.367 1.385 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000867947050 596629547 /nfs/dbraw/zinc/62/95/47/596629547.db2.gz YAERLDNEXKUQAQ-HACGYAERSA-N 0 3 334.420 1.710 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@]12COC(=O)N1CCOC2 ZINC000865770457 596676605 /nfs/dbraw/zinc/67/66/05/596676605.db2.gz MAVGPGDDAJBOHM-FUIJVIPGSA-N 0 3 347.371 1.809 20 5 EDBDHN O=C1CC2(CCOCC2)N(CCOc2ccccc2[N+](=O)[O-])CCN1 ZINC000872289583 596869247 /nfs/dbraw/zinc/86/92/47/596869247.db2.gz NSOALJAANOXPKW-UHFFFAOYSA-N 0 3 349.387 1.345 20 5 EDBDHN COC1CCN(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000866416666 596881631 /nfs/dbraw/zinc/88/16/31/596881631.db2.gz ZBJBPEIMAGUSCU-UHFFFAOYSA-N 0 3 339.367 1.503 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868585484 596889473 /nfs/dbraw/zinc/88/94/73/596889473.db2.gz KDGVVSWUEXNFPX-UHFFFAOYSA-N 0 3 335.339 1.673 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2N2C[C@@H]3CCCN3C[C@@H]2CO)s1 ZINC000872757407 597059744 /nfs/dbraw/zinc/05/97/44/597059744.db2.gz BJLUSDGHAJRNST-VHSXEESVSA-N 0 3 335.389 1.245 20 5 EDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000883371994 597726315 /nfs/dbraw/zinc/72/63/15/597726315.db2.gz HZOWYNVDUGDQAN-KRWDZBQOSA-N 0 3 348.447 1.481 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCNCCC23CCC3)ccc1[N+](=O)[O-] ZINC000883478363 597766833 /nfs/dbraw/zinc/76/68/33/597766833.db2.gz GFXOZVQQEVNAPL-UHFFFAOYSA-N 0 3 339.417 1.810 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880222870 597876360 /nfs/dbraw/zinc/87/63/60/597876360.db2.gz LMUOQCQIXWPGON-WOVMCDHWSA-N 0 3 329.356 1.396 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]C2CC([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000916920622 696815818 /nfs/dbraw/zinc/81/58/18/696815818.db2.gz RCMVPAIMVNTUEJ-UHFFFAOYSA-N 0 3 331.369 1.413 20 5 EDBDHN Cc1cc(Cl)ccc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031661753 697435580 /nfs/dbraw/zinc/43/55/80/697435580.db2.gz HERZTGIPRWCQCF-HUUCEWRRSA-N 0 3 337.807 1.862 20 5 EDBDHN NC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000560001181 306260406 /nfs/dbraw/zinc/26/04/06/306260406.db2.gz FBLSAOVBORWNSV-OCCSQVGLSA-N 0 3 344.375 1.559 20 5 EDBDHN O=C(NC[C@H]1CCCCN1CCO)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412362498 304001874 /nfs/dbraw/zinc/00/18/74/304001874.db2.gz AZMHQCQSTDEFSH-IXDOHACOSA-N 0 3 347.415 1.661 20 5 EDBDHN CC(C)OCc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562449884 306299104 /nfs/dbraw/zinc/29/91/04/306299104.db2.gz QBVRJBJTVIKHIS-KRWDZBQOSA-N 0 3 348.403 1.867 20 5 EDBDHN CN(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413063060 304055078 /nfs/dbraw/zinc/05/50/78/304055078.db2.gz QWBMWZPPJSRJOK-DLBZAZTESA-N 0 3 346.431 1.404 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000186736358 236001550 /nfs/dbraw/zinc/00/15/50/236001550.db2.gz FRAMONZXIPORFU-UHFFFAOYSA-N 0 3 348.403 1.186 20 5 EDBDHN O=C(CCNCC(=O)N1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000564076488 306354852 /nfs/dbraw/zinc/35/48/52/306354852.db2.gz BRZQVQQPGWQDAR-UHFFFAOYSA-N 0 3 334.376 1.526 20 5 EDBDHN NC(=O)c1ccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000125221635 283375598 /nfs/dbraw/zinc/37/55/98/283375598.db2.gz DEUPIOZPWVAJCU-ZIAGYGMSSA-N 0 3 346.387 1.184 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066223840 201157970 /nfs/dbraw/zinc/15/79/70/201157970.db2.gz OQKNJYZMYDXPQP-AWEZNQCLSA-N 0 3 346.387 1.538 20 5 EDBDHN Cc1n[nH]c(C(=O)NCCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000072049647 203159567 /nfs/dbraw/zinc/15/95/67/203159567.db2.gz ZHUBKTXJSZBFGZ-UHFFFAOYSA-N 0 3 331.376 1.878 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(CCO)Cc2ccccc2)c1 ZINC000072591417 203237503 /nfs/dbraw/zinc/23/75/03/203237503.db2.gz OCLVSZKYOUOFIG-QGZVFWFLSA-N 0 3 346.383 1.829 20 5 EDBDHN CCCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236712900 139029339 /nfs/dbraw/zinc/02/93/39/139029339.db2.gz ITWLFVOAJNZSLO-OAHLLOKOSA-N 0 3 348.403 1.397 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000129690581 205208452 /nfs/dbraw/zinc/20/84/52/205208452.db2.gz ZMRSPYHSAQHJLP-OAHLLOKOSA-N 0 3 335.404 1.628 20 5 EDBDHN C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(C)C1CC1 ZINC000132331956 205321667 /nfs/dbraw/zinc/32/16/67/205321667.db2.gz VKRRQHMQRVPOLT-LBPRGKRZSA-N 0 3 343.387 1.993 20 5 EDBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000133792896 205378220 /nfs/dbraw/zinc/37/82/20/205378220.db2.gz GOQVMTYEFAYVKK-UHFFFAOYSA-N 0 3 332.360 1.451 20 5 EDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000245441170 139075071 /nfs/dbraw/zinc/07/50/71/139075071.db2.gz HCKXMMJYZKFFBL-OCCSQVGLSA-N 0 3 332.404 1.970 20 5 EDBDHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000159940816 206272151 /nfs/dbraw/zinc/27/21/51/206272151.db2.gz JRWADCYGABLQAX-CYBMUJFWSA-N 0 3 329.360 1.712 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000175548363 207137344 /nfs/dbraw/zinc/13/73/44/207137344.db2.gz LJCBZPWBJOERSE-CHWSQXEVSA-N 0 3 347.419 1.931 20 5 EDBDHN Cc1c(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000424423331 252223845 /nfs/dbraw/zinc/22/38/45/252223845.db2.gz UYVKJFUDZYNTMZ-QWHCGFSZSA-N 0 3 344.375 1.595 20 5 EDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000119674790 221373728 /nfs/dbraw/zinc/37/37/28/221373728.db2.gz CAQYHWZDMQHAQZ-CQSZACIVSA-N 0 3 331.376 1.977 20 5 EDBDHN CC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000571284466 306561118 /nfs/dbraw/zinc/56/11/18/306561118.db2.gz XSTKWDHPVIQCKL-KWBADKCTSA-N 0 3 334.319 1.329 20 5 EDBDHN Cc1ccc([C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000270850824 140182629 /nfs/dbraw/zinc/18/26/29/140182629.db2.gz XXASLTZWIYETSC-ZDUSSCGKSA-N 0 3 331.376 1.669 20 5 EDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCN(C2CC2)C1 ZINC000340094290 142263721 /nfs/dbraw/zinc/26/37/21/142263721.db2.gz JUWMJZXCSGJTDR-GFCCVEGCSA-N 0 3 328.372 1.972 20 5 EDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346159014 143173609 /nfs/dbraw/zinc/17/36/09/143173609.db2.gz CYFAWZLKFGYJQI-KCQAQPDRSA-N 0 3 349.435 1.715 20 5 EDBDHN CCCc1n[n-]c(C(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@@H+]2C)c1[N+](=O)[O-] ZINC000346701264 143234279 /nfs/dbraw/zinc/23/42/79/143234279.db2.gz SGPIPHSAFOSMBU-WDEREUQCSA-N 0 3 339.396 1.062 20 5 EDBDHN CCCc1n[n-]c(C(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000346701264 143234280 /nfs/dbraw/zinc/23/42/80/143234280.db2.gz SGPIPHSAFOSMBU-WDEREUQCSA-N 0 3 339.396 1.062 20 5 EDBDHN CCCc1[nH]nc(C(=O)N(C)C[C@@H]2C[C@@H](OC)CN2C)c1[N+](=O)[O-] ZINC000346701264 143234281 /nfs/dbraw/zinc/23/42/81/143234281.db2.gz SGPIPHSAFOSMBU-WDEREUQCSA-N 0 3 339.396 1.062 20 5 EDBDHN CCCc1n[nH]c(C(=O)N(C)C[C@@H]2C[C@@H](OC)CN2C)c1[N+](=O)[O-] ZINC000346701264 143234282 /nfs/dbraw/zinc/23/42/82/143234282.db2.gz SGPIPHSAFOSMBU-WDEREUQCSA-N 0 3 339.396 1.062 20 5 EDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C(N)=O)[C@H](c2cnn(C)c2)C1 ZINC000346944588 143264680 /nfs/dbraw/zinc/26/46/80/143264680.db2.gz XLXXETPHDGBPAO-RLCCDNCMSA-N 0 3 343.387 1.590 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3ccncc3)C2)c1 ZINC000347713722 143353060 /nfs/dbraw/zinc/35/30/60/143353060.db2.gz CGGCTNLUHOIVCI-HOCLYGCPSA-N 0 3 331.376 1.427 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CN(C)C)c1C ZINC000416507777 304326587 /nfs/dbraw/zinc/32/65/87/304326587.db2.gz MDOUHQLWEDBOTF-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408236771 292172114 /nfs/dbraw/zinc/17/21/14/292172114.db2.gz NTRMJRZDRXCPRQ-CHWSQXEVSA-N 0 3 341.433 1.864 20 5 EDBDHN CCC(CC)Nc1ccncc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000573553128 306623703 /nfs/dbraw/zinc/62/37/03/306623703.db2.gz UQWZTQUJBCLPOC-UHFFFAOYSA-N 0 3 332.364 1.847 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000355321216 150215544 /nfs/dbraw/zinc/21/55/44/150215544.db2.gz UZUPHNNEVGBMJS-HOTGVXAUSA-N 0 3 349.387 1.295 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355325346 150217420 /nfs/dbraw/zinc/21/74/20/150217420.db2.gz SDGCCZIOJNGZHI-CVEARBPZSA-N 0 3 348.403 1.328 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000355340392 150223742 /nfs/dbraw/zinc/22/37/42/150223742.db2.gz IORSJGNOYUPJDN-CVEARBPZSA-N 0 3 333.388 1.838 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000357385297 151014792 /nfs/dbraw/zinc/01/47/92/151014792.db2.gz FUOJWXAJYWNLIR-FZMZJTMJSA-N 0 3 349.387 1.984 20 5 EDBDHN CN(C)Cc1ccc(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)nc1 ZINC000357613614 151085633 /nfs/dbraw/zinc/08/56/33/151085633.db2.gz HFWYNCQRLPZITQ-UHFFFAOYSA-N 0 3 345.407 1.112 20 5 EDBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1CS(=O)(=O)CCO1 ZINC000358307424 151332546 /nfs/dbraw/zinc/33/25/46/151332546.db2.gz QKCVQQPEBMBASF-GXTWGEPZSA-N 0 3 342.417 1.319 20 5 EDBDHN O=C([C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)N1CCCCC1 ZINC000363592752 153007680 /nfs/dbraw/zinc/00/76/80/153007680.db2.gz KYCGSQWYNCBKEC-AWEZNQCLSA-N 0 3 335.408 1.516 20 5 EDBDHN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000363593487 153008924 /nfs/dbraw/zinc/00/89/24/153008924.db2.gz YPRCHDRPVKTNAE-ZIAGYGMSSA-N 0 3 335.408 1.657 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000364781110 153331513 /nfs/dbraw/zinc/33/15/13/153331513.db2.gz FYJYQZALJMMCPF-CJNGLKHVSA-N 0 3 335.360 1.699 20 5 EDBDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364952501 153381607 /nfs/dbraw/zinc/38/16/07/153381607.db2.gz CVZHMSYNFSPDSG-MKBNYLNASA-N 0 3 346.387 1.509 20 5 EDBDHN O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000367456591 154132038 /nfs/dbraw/zinc/13/20/38/154132038.db2.gz CGNVXIQRDVOJOH-WBMJQRKESA-N 0 3 332.360 1.180 20 5 EDBDHN O=C([C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000367858230 154302244 /nfs/dbraw/zinc/30/22/44/154302244.db2.gz QRICAPUQAXKXEI-CQSZACIVSA-N 0 3 333.388 1.918 20 5 EDBDHN CN(C)S(=O)(=O)CCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352543286 162242421 /nfs/dbraw/zinc/24/24/21/162242421.db2.gz CKGOOYLMOXIZMY-UHFFFAOYSA-N 0 3 329.422 1.351 20 5 EDBDHN CN(CCN1CCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000089900124 287324733 /nfs/dbraw/zinc/32/47/33/287324733.db2.gz FZXYLEIIOXMHQC-MRXNPFEDSA-N 0 3 332.404 1.728 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(N(C)C)CCC1 ZINC000275468039 268346536 /nfs/dbraw/zinc/34/65/36/268346536.db2.gz LCZQMLIOXQTKET-UHFFFAOYSA-N 0 3 327.406 1.666 20 5 EDBDHN CCN1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273412479 273036990 /nfs/dbraw/zinc/03/69/90/273036990.db2.gz IBHOFEMAACKSRU-UHFFFAOYSA-N 0 3 341.433 1.442 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000274521816 273093080 /nfs/dbraw/zinc/09/30/80/273093080.db2.gz WWVHFCCSBTUISR-GFCCVEGCSA-N 0 3 337.380 1.941 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2(CN(C)C)CCC2)c1C ZINC000281537850 273488459 /nfs/dbraw/zinc/48/84/59/273488459.db2.gz NDUIZRHFGZLFIA-UHFFFAOYSA-N 0 3 341.433 1.974 20 5 EDBDHN Cc1c(NC(=O)C(=O)NC[C@H](C)N(C)C)c(F)ccc1[N+](=O)[O-] ZINC000282528119 273670361 /nfs/dbraw/zinc/67/03/61/273670361.db2.gz BSOTZMDOKCPNCW-QMMMGPOBSA-N 0 3 326.328 1.047 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC=C(c3ccccc3)C2)c1 ZINC000284746726 274315835 /nfs/dbraw/zinc/31/58/35/274315835.db2.gz LFKASSMHVIMLTQ-QGZVFWFLSA-N 0 3 328.372 1.942 20 5 EDBDHN COC(=O)c1cc(C)nc(N2C[C@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-] ZINC000287169374 288171885 /nfs/dbraw/zinc/17/18/85/288171885.db2.gz GWRGXMBVTBQFKG-NWDGAFQWSA-N 0 3 334.376 1.758 20 5 EDBDHN COCCCN(C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287268793 288196475 /nfs/dbraw/zinc/19/64/75/288196475.db2.gz LEVGLDBESHFDNU-UHFFFAOYSA-N 0 3 325.394 1.980 20 5 EDBDHN C[C@@H](CN(C)C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000288020991 288383198 /nfs/dbraw/zinc/38/31/98/288383198.db2.gz MXIJJAGVPDLGPO-ZDUSSCGKSA-N 0 3 335.408 1.377 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000291957412 289225861 /nfs/dbraw/zinc/22/58/61/289225861.db2.gz NYOLHYRRIVFTAY-QGZVFWFLSA-N 0 3 348.403 1.841 20 5 EDBDHN CN1CC[C@]2(CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)C1 ZINC000292346143 289321926 /nfs/dbraw/zinc/32/19/26/289321926.db2.gz VDZSDEIRUAZMAF-INIZCTEOSA-N 0 3 333.344 1.491 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424230337 294281384 /nfs/dbraw/zinc/28/13/84/294281384.db2.gz FCNCGQFXBSRODB-QWHCGFSZSA-N 0 3 349.778 1.549 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424228779 294281394 /nfs/dbraw/zinc/28/13/94/294281394.db2.gz UTJULIRPLWFXBN-QWHCGFSZSA-N 0 3 333.323 1.034 20 5 EDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000341057272 299894284 /nfs/dbraw/zinc/89/42/84/299894284.db2.gz KCVUGFYQVAQZQC-STQMWFEESA-N 0 3 337.424 1.906 20 5 EDBDHN CN1CC[C@@]2(CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C2)C1 ZINC000293924381 303038963 /nfs/dbraw/zinc/03/89/63/303038963.db2.gz PUTOYVOTBTUKNZ-QGZVFWFLSA-N 0 3 347.371 1.340 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293972795 303046558 /nfs/dbraw/zinc/04/65/58/303046558.db2.gz UXBLCTDZFAFVDJ-JKSUJKDBSA-N 0 3 333.388 1.459 20 5 EDBDHN Cc1cc(OCC(=O)Nc2ccnn2CCN(C)C)ccc1[N+](=O)[O-] ZINC000294029604 303053335 /nfs/dbraw/zinc/05/33/35/303053335.db2.gz JXSWQPRYYZUUKH-UHFFFAOYSA-N 0 3 347.375 1.679 20 5 EDBDHN COc1ccc(OCCN[C@](C)(C(N)=O)C(C)C)c([N+](=O)[O-])c1 ZINC000297810413 303448419 /nfs/dbraw/zinc/44/84/19/303448419.db2.gz YBLNZHZLRPHVNL-HNNXBMFYSA-N 0 3 325.365 1.472 20 5 EDBDHN CC1CCN(C[C@@H](O)CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000304310071 303752453 /nfs/dbraw/zinc/75/24/53/303752453.db2.gz KCCJSINRLWIORM-INIZCTEOSA-N 0 3 335.404 1.346 20 5 EDBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1CCO ZINC000493569197 447343754 /nfs/dbraw/zinc/34/37/54/447343754.db2.gz RYPLFNNWUPMPQT-CDNLZTBQSA-N 0 3 333.388 1.571 20 5 EDBDHN CC(C)(NCC1(O)CCS(=O)(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000429231701 305026028 /nfs/dbraw/zinc/02/60/28/305026028.db2.gz QMWIKQGSEDFYNE-UHFFFAOYSA-N 0 3 342.417 1.359 20 5 EDBDHN CN1C[C@@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000451455672 305347591 /nfs/dbraw/zinc/34/75/91/305347591.db2.gz CQOYIBOAUWRJOM-OKILXGFUSA-N 0 3 331.372 1.578 20 5 EDBDHN O=C(NC[C@@H]1CCCCN1CCO)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000452395420 305397869 /nfs/dbraw/zinc/39/78/69/305397869.db2.gz WPRILGUZKFUXRV-LBPRGKRZSA-N 0 3 347.375 1.048 20 5 EDBDHN C[C@H](C(=O)NCCOCCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000542635823 306055488 /nfs/dbraw/zinc/05/54/88/306055488.db2.gz ALSWLDHWWXLUHF-NSHDSACASA-N 0 3 327.356 1.532 20 5 EDBDHN CN([C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCC[C@H]1O ZINC000426218546 447400906 /nfs/dbraw/zinc/40/09/06/447400906.db2.gz UDTDCLOJDPJLPC-OWCLPIDISA-N 0 3 333.388 1.935 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1 ZINC000046036415 441072791 /nfs/dbraw/zinc/07/27/91/441072791.db2.gz WUHFXRLADBVBPI-UONOGXRCSA-N 0 3 325.390 1.500 20 5 EDBDHN CN1CCN(CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000104253984 441191995 /nfs/dbraw/zinc/19/19/95/441191995.db2.gz IEESCDLQFYFTPL-UHFFFAOYSA-N 0 3 349.435 1.151 20 5 EDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108338625 441447708 /nfs/dbraw/zinc/44/77/08/441447708.db2.gz UGECQEVEBNBRGV-OLZOCXBDSA-N 0 3 348.403 1.171 20 5 EDBDHN COCCN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117782615 441878445 /nfs/dbraw/zinc/87/84/45/441878445.db2.gz DIWOBMFVHFIKBM-UHFFFAOYSA-N 0 3 329.784 1.485 20 5 EDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000119425290 441934270 /nfs/dbraw/zinc/93/42/70/441934270.db2.gz LTRGFXOPGJLJPC-KGLIPLIRSA-N 0 3 333.388 1.916 20 5 EDBDHN O=[N+]([O-])c1cc(CNC2CCN(S(=O)(=O)C3CC3)CC2)cs1 ZINC000151275035 442036450 /nfs/dbraw/zinc/03/64/50/442036450.db2.gz ZUIBJOUSKSYTKN-UHFFFAOYSA-N 0 3 345.446 1.703 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000152117307 442167502 /nfs/dbraw/zinc/16/75/02/442167502.db2.gz OVDZLTCIMUXYPC-LBPRGKRZSA-N 0 3 331.380 1.666 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000152117307 442167507 /nfs/dbraw/zinc/16/75/07/442167507.db2.gz OVDZLTCIMUXYPC-LBPRGKRZSA-N 0 3 331.380 1.666 20 5 EDBDHN O=C(C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1)N1CCCCC1 ZINC000176218872 442193876 /nfs/dbraw/zinc/19/38/76/442193876.db2.gz AAXLHMXTZUNJIX-UHFFFAOYSA-N 0 3 335.408 1.516 20 5 EDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000170886077 442283774 /nfs/dbraw/zinc/28/37/74/442283774.db2.gz FLHTUVAMVNVURJ-NSHDSACASA-N 0 3 345.421 1.612 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000172048289 442403651 /nfs/dbraw/zinc/40/36/51/442403651.db2.gz MPDJXXUWNRLJNA-AXLMJIKWSA-N 0 3 336.388 1.427 20 5 EDBDHN Cc1c([C@@H](C)NCCC(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000178671174 442454940 /nfs/dbraw/zinc/45/49/40/442454940.db2.gz ZNAKFMFHRPAJTA-CQSZACIVSA-N 0 3 334.420 1.718 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(C)o2)n1 ZINC000191669410 442487485 /nfs/dbraw/zinc/48/74/85/442487485.db2.gz AAJKLSFWNRXJCA-UHFFFAOYSA-N 0 3 349.391 1.917 20 5 EDBDHN CCC1(CO)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182302503 442755653 /nfs/dbraw/zinc/75/56/53/442755653.db2.gz VXLSELUJVKGUTK-AWEZNQCLSA-N 0 3 338.404 1.819 20 5 EDBDHN CC(C)N1C[C@@H](C)[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000268259934 442921473 /nfs/dbraw/zinc/92/14/73/442921473.db2.gz RBLKLUACWQMFKO-ZWNOBZJWSA-N 0 3 342.421 1.383 20 5 EDBDHN CN1CCN(CCC(C)(C)NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000184173396 442999009 /nfs/dbraw/zinc/99/90/09/442999009.db2.gz SHSVHDCTYMMXIV-UHFFFAOYSA-N 0 3 348.447 1.670 20 5 EDBDHN Cc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000195066117 442980942 /nfs/dbraw/zinc/98/09/42/442980942.db2.gz WEOYZRBYGWHQNI-HNNXBMFYSA-N 0 3 331.376 1.519 20 5 EDBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268552830 443031274 /nfs/dbraw/zinc/03/12/74/443031274.db2.gz MWCONSUSXFGMQJ-HNNXBMFYSA-N 0 3 343.387 1.524 20 5 EDBDHN CCC[C@@H](NC[C@@]1(O)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000296595353 318710478 /nfs/dbraw/zinc/71/04/78/318710478.db2.gz VHDQTLLHJNBWOM-CABCVRRESA-N 0 3 342.417 1.575 20 5 EDBDHN Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000296849116 318732156 /nfs/dbraw/zinc/73/21/56/318732156.db2.gz JADRIWJTFWLJKY-VIFPVBQESA-N 0 3 326.328 1.047 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000382488599 319123854 /nfs/dbraw/zinc/12/38/54/319123854.db2.gz HIRTWBGBMABAFX-UWVGGRQHSA-N 0 3 329.378 1.009 20 5 EDBDHN Cc1ccc(S(=O)(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000420439811 319620129 /nfs/dbraw/zinc/62/01/29/319620129.db2.gz GKGWJGHMBHVEOJ-NSHDSACASA-N 0 3 335.332 1.179 20 5 EDBDHN Cc1cc(NCCCN2CCNC(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000278675140 443398551 /nfs/dbraw/zinc/39/85/51/443398551.db2.gz GJAKUUHNLVCPQZ-UHFFFAOYSA-N 0 3 343.387 1.685 20 5 EDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270382663 443469558 /nfs/dbraw/zinc/46/95/58/443469558.db2.gz QCLNRIQUADIPKJ-CHWSQXEVSA-N 0 3 326.378 1.985 20 5 EDBDHN C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000272058374 443524517 /nfs/dbraw/zinc/52/45/17/443524517.db2.gz BQMFRBSNOIZLFJ-STQMWFEESA-N 0 3 348.403 1.182 20 5 EDBDHN CCN1CCCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273051276 443528053 /nfs/dbraw/zinc/52/80/53/443528053.db2.gz VFCQQYFSENLRKF-MRXNPFEDSA-N 0 3 346.387 1.642 20 5 EDBDHN O=C(CNC[C@@H]1CCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423721426 319806874 /nfs/dbraw/zinc/80/68/74/319806874.db2.gz IOCLDDPJLFIPFZ-INIZCTEOSA-N 0 3 333.388 1.854 20 5 EDBDHN CCOC(=O)c1ccnc(N2CC[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272196680 443554436 /nfs/dbraw/zinc/55/44/36/443554436.db2.gz NTGOUVKFKFGYPS-YPMHNXCESA-N 0 3 334.376 1.697 20 5 EDBDHN C[C@H]1C[C@H](N2CCOCC2)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000286054693 443636513 /nfs/dbraw/zinc/63/65/13/443636513.db2.gz RFMYEWOERRKYEI-HOCLYGCPSA-N 0 3 335.404 1.769 20 5 EDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000440079559 320061792 /nfs/dbraw/zinc/06/17/92/320061792.db2.gz OLJSZWFDYFQHDY-CYBMUJFWSA-N 0 3 343.449 1.787 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448974967 320168127 /nfs/dbraw/zinc/16/81/27/320168127.db2.gz FCPWEGFHAFLAGX-ZDUSSCGKSA-N 0 3 329.360 1.605 20 5 EDBDHN CCN1C[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000449515878 320193277 /nfs/dbraw/zinc/19/32/77/320193277.db2.gz BZZLVKBFMVEQQX-CQSZACIVSA-N 0 3 343.387 1.706 20 5 EDBDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000298178598 443712856 /nfs/dbraw/zinc/71/28/56/443712856.db2.gz RJAGCUBUYVLPSQ-AWEZNQCLSA-N 0 3 348.403 1.832 20 5 EDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525694160 320491783 /nfs/dbraw/zinc/49/17/83/320491783.db2.gz PDEDLCSZKQFTDK-LLVKDONJSA-N 0 3 328.394 1.095 20 5 EDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000288126598 443779151 /nfs/dbraw/zinc/77/91/51/443779151.db2.gz KJXTULGMRYQZFO-IUODEOHRSA-N 0 3 346.387 1.619 20 5 EDBDHN COCCOCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000289042538 444040298 /nfs/dbraw/zinc/04/02/98/444040298.db2.gz PTJDOJDTIIEXNF-UHFFFAOYSA-N 0 3 343.355 1.657 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000299522267 444069481 /nfs/dbraw/zinc/06/94/81/444069481.db2.gz PLBUPEUYRVVKLW-ZDUSSCGKSA-N 0 3 337.424 1.726 20 5 EDBDHN CCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000557741443 321006183 /nfs/dbraw/zinc/00/61/83/321006183.db2.gz MAAZEIYNYFQKKD-LBPRGKRZSA-N 0 3 349.387 1.970 20 5 EDBDHN NC[C@H]1c2ccccc2CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000565538284 321190221 /nfs/dbraw/zinc/19/02/21/321190221.db2.gz CVIGKGVURDRILH-INIZCTEOSA-N 0 3 347.396 1.842 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COC[C@@H]1CCCO1 ZINC000565672899 321197068 /nfs/dbraw/zinc/19/70/68/321197068.db2.gz NDRJDYRCIVXGGP-HOTGVXAUSA-N 0 3 338.404 1.626 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCNC[C@@H](O)COC2CCOCC2)cc1 ZINC000566118529 321217862 /nfs/dbraw/zinc/21/78/62/321217862.db2.gz WUFGAKBDFRDLOC-CQSZACIVSA-N 0 3 340.376 1.120 20 5 EDBDHN COc1cc(N2CCN(C(=O)CN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301411498 444170625 /nfs/dbraw/zinc/17/06/25/444170625.db2.gz PJYYMTBDHALHQY-UHFFFAOYSA-N 0 3 348.403 1.348 20 5 EDBDHN C[C@H]1CSC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286023993 444178837 /nfs/dbraw/zinc/17/88/37/444178837.db2.gz PYWQKADDVZUWDX-GXFFZTMASA-N 0 3 330.431 1.710 20 5 EDBDHN CC(C)N1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000301614429 444182172 /nfs/dbraw/zinc/18/21/72/444182172.db2.gz UPGHAANNQVWJTO-GXFFZTMASA-N 0 3 342.421 1.383 20 5 EDBDHN Cn1cc(C[C@@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000305170492 444262391 /nfs/dbraw/zinc/26/23/91/444262391.db2.gz JLHTZKYTLUQJKJ-GUYCJALGSA-N 0 3 330.388 1.926 20 5 EDBDHN O=C1C[C@H]([C@H]2CCCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1 ZINC000305721734 444275331 /nfs/dbraw/zinc/27/53/31/444275331.db2.gz IMKLKHHMYULLIG-IMJJTQAJSA-N 0 3 333.388 1.619 20 5 EDBDHN Cc1ccc2[nH]c(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000580435447 322051240 /nfs/dbraw/zinc/05/12/40/322051240.db2.gz ZXBCPWFMAVNSEO-GFCCVEGCSA-N 0 3 330.348 1.127 20 5 EDBDHN Cc1ccc2nc(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000580435447 322051241 /nfs/dbraw/zinc/05/12/41/322051241.db2.gz ZXBCPWFMAVNSEO-GFCCVEGCSA-N 0 3 330.348 1.127 20 5 EDBDHN NC(=O)[C@H](Cc1ccccc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000581852805 322224136 /nfs/dbraw/zinc/22/41/36/322224136.db2.gz UVKRUGSYVLEVQB-INIZCTEOSA-N 0 3 329.356 1.660 20 5 EDBDHN COCCN1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000342216258 444570265 /nfs/dbraw/zinc/57/02/65/444570265.db2.gz CWGKGCBZJGLUKM-GFCCVEGCSA-N 0 3 337.376 1.822 20 5 EDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000338582819 444755543 /nfs/dbraw/zinc/75/55/43/444755543.db2.gz QDTNORIPZLGCOX-OAHLLOKOSA-N 0 3 348.403 1.267 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000338817160 444868109 /nfs/dbraw/zinc/86/81/09/444868109.db2.gz SIQMEULZXAKBCK-UHFFFAOYSA-N 0 3 342.359 2.087 20 5 EDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330459842 444990067 /nfs/dbraw/zinc/99/00/67/444990067.db2.gz ZZRIGYMMEXTZNN-CHWSQXEVSA-N 0 3 337.424 1.763 20 5 EDBDHN C[C@H]1OCC[C@@H]1N(CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337456274 445089600 /nfs/dbraw/zinc/08/96/00/445089600.db2.gz HYSFAUSPBRFKSX-OCCSQVGLSA-N 0 3 337.376 1.395 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CO)C1CCOCC1 ZINC000359869501 445467921 /nfs/dbraw/zinc/46/79/21/445467921.db2.gz FZUWNGGBGDUIPD-CYBMUJFWSA-N 0 3 337.376 1.219 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)CN(C)C(C)C ZINC000349799070 445680753 /nfs/dbraw/zinc/68/07/53/445680753.db2.gz KDUOZJIXDVMGAU-LBPRGKRZSA-N 0 3 329.422 1.910 20 5 EDBDHN CN(C)CCOCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353672346 445701719 /nfs/dbraw/zinc/70/17/19/445701719.db2.gz QIRJKAPKEYQSDF-INIZCTEOSA-N 0 3 347.419 1.586 20 5 EDBDHN CCCC[C@H](CN)NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583802649 326142175 /nfs/dbraw/zinc/14/21/75/326142175.db2.gz VZAIXOWGIYCZEO-CYBMUJFWSA-N 0 3 348.403 1.113 20 5 EDBDHN CN1CCN(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369309804 446064395 /nfs/dbraw/zinc/06/43/95/446064395.db2.gz IFOYMCUDNWKNTF-HNNXBMFYSA-N 0 3 346.431 1.694 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366421584 446205731 /nfs/dbraw/zinc/20/57/31/446205731.db2.gz DRRBZEDJGUOTOD-ITGUQSILSA-N 0 3 335.360 1.102 20 5 EDBDHN Cc1c(CN2CCC[C@@H](n3cc(CN)nn3)C2)cccc1[N+](=O)[O-] ZINC000420385306 446560595 /nfs/dbraw/zinc/56/05/95/446560595.db2.gz SRWLOZVBOWJSRL-OAHLLOKOSA-N 0 3 330.392 1.791 20 5 EDBDHN COc1ccc(NC(=O)CN2CC[C@@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375025770 446523053 /nfs/dbraw/zinc/52/30/53/446523053.db2.gz ZRENIFOFPPRGOK-LRDDRELGSA-N 0 3 348.403 1.568 20 5 EDBDHN CN1CC[C@@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000375034732 446529697 /nfs/dbraw/zinc/52/96/97/446529697.db2.gz DGBYYZNJXDZXFL-RHSMWYFYSA-N 0 3 344.415 1.510 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000420470915 446646950 /nfs/dbraw/zinc/64/69/50/446646950.db2.gz QYKGODVMAVVOMX-RYUDHWBXSA-N 0 3 327.406 1.699 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000453944916 446720605 /nfs/dbraw/zinc/72/06/05/446720605.db2.gz XGPACHRZSWCBIX-RISCZKNCSA-N 0 3 332.360 1.004 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c1 ZINC000619253778 450435273 /nfs/dbraw/zinc/43/52/73/450435273.db2.gz FSKRMFDYKBXRFY-MRXNPFEDSA-N 0 3 337.376 1.132 20 5 EDBDHN Cc1n[nH]cc1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000375349972 446741499 /nfs/dbraw/zinc/74/14/99/446741499.db2.gz RLHIMQSWDVFBLS-CQSZACIVSA-N 0 3 334.380 1.063 20 5 EDBDHN Cc1c(NC(=O)NC[C@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000454194271 446803938 /nfs/dbraw/zinc/80/39/38/446803938.db2.gz FQLIDSGCGAMUSE-CYBMUJFWSA-N 0 3 336.392 1.872 20 5 EDBDHN CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000444177971 447089026 /nfs/dbraw/zinc/08/90/26/447089026.db2.gz UOUIAQBFNCOSFW-UHFFFAOYSA-N 0 3 345.421 1.612 20 5 EDBDHN CCN(CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000444175211 447089329 /nfs/dbraw/zinc/08/93/29/447089329.db2.gz JLAJORMFCKZUTE-UHFFFAOYSA-N 0 3 343.449 1.787 20 5 EDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000368855353 447162233 /nfs/dbraw/zinc/16/22/33/447162233.db2.gz JWSDTMYVWLLUJZ-AWEZNQCLSA-N 0 3 339.417 1.595 20 5 EDBDHN CN1CCC(CNc2ccc([N+](=O)[O-])cn2)(N2CCOCC2)CC1 ZINC000413474635 447194204 /nfs/dbraw/zinc/19/42/04/447194204.db2.gz BUUKTDDMXXKIEF-UHFFFAOYSA-N 0 3 335.408 1.198 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc2c1CNCC2 ZINC000375990307 447196429 /nfs/dbraw/zinc/19/64/29/447196429.db2.gz KTIUKGPVPBNRJW-UHFFFAOYSA-N 0 3 329.360 1.774 20 5 EDBDHN Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(=O)[n-]1 ZINC000447599572 447280307 /nfs/dbraw/zinc/28/03/07/447280307.db2.gz KKUDJDBHKNJADI-CHWSQXEVSA-N 0 3 332.364 1.869 20 5 EDBDHN C[C@@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1 ZINC000420201753 447667838 /nfs/dbraw/zinc/66/78/38/447667838.db2.gz NJGKSHLOPMLPQP-LLVKDONJSA-N 0 3 329.360 1.357 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CN1C1CC1 ZINC000530767565 447952636 /nfs/dbraw/zinc/95/26/36/447952636.db2.gz QGENBSLUEMYRHA-QWRGUYRKSA-N 0 3 347.371 1.721 20 5 EDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576172088 447991373 /nfs/dbraw/zinc/99/13/73/447991373.db2.gz CZWOPZVHRLPSGC-GXFFZTMASA-N 0 3 327.406 1.500 20 5 EDBDHN CN1CCN(CCCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491478892 448038702 /nfs/dbraw/zinc/03/87/02/448038702.db2.gz NWXCZTAAOAJISX-TWGQIWQCSA-N 0 3 346.431 1.752 20 5 EDBDHN CCC[C@@H](C)[C@@H](CO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000514792035 448204590 /nfs/dbraw/zinc/20/45/90/448204590.db2.gz GDNBDIPRYYAOAJ-IUODEOHRSA-N 0 3 335.404 1.871 20 5 EDBDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000591021786 448235964 /nfs/dbraw/zinc/23/59/64/448235964.db2.gz IFOUGIKRUKVUEN-CYBMUJFWSA-N 0 3 348.403 1.832 20 5 EDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCN(CC(F)F)C1)OCCO2 ZINC000591357681 448341487 /nfs/dbraw/zinc/34/14/87/448341487.db2.gz GVWFCKHUZMQZRD-NSHDSACASA-N 0 3 343.330 1.795 20 5 EDBDHN O=C(C[C@@H]1CSCCN1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000584345540 448490392 /nfs/dbraw/zinc/49/03/92/448490392.db2.gz WLJZTVRBGJCDMC-LLVKDONJSA-N 0 3 325.390 1.185 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccnc(C(F)(F)F)c2)c1 ZINC000573200109 448566002 /nfs/dbraw/zinc/56/60/02/448566002.db2.gz XODLYQYMLMESLM-LLVKDONJSA-N 0 3 345.281 1.356 20 5 EDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000517756380 448616161 /nfs/dbraw/zinc/61/61/61/448616161.db2.gz HTTVDNIRGIIWBR-BPUTZDHNSA-N 0 3 335.404 1.297 20 5 EDBDHN CNc1ccc(C(=O)Nc2cnc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000592540738 448888690 /nfs/dbraw/zinc/88/86/90/448888690.db2.gz KHYHKACBKDNAEO-UHFFFAOYSA-N 0 3 327.344 1.930 20 5 EDBDHN Cc1c(CNC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000569232393 448984985 /nfs/dbraw/zinc/98/49/85/448984985.db2.gz WGNQWYWPEZXQDP-IOASZLSFSA-N 0 3 337.420 1.463 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588861304 448941762 /nfs/dbraw/zinc/94/17/62/448941762.db2.gz PREJCIMCZAOBDD-HUUCEWRRSA-N 0 3 347.415 1.801 20 5 EDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000569338928 449005393 /nfs/dbraw/zinc/00/53/93/449005393.db2.gz VSOXCBJTGMAUBA-HNNXBMFYSA-N 0 3 339.779 1.435 20 5 EDBDHN CCN1CCN(CCNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000522186871 449061646 /nfs/dbraw/zinc/06/16/46/449061646.db2.gz LAIZOJZDIQKUSU-UHFFFAOYSA-N 0 3 335.408 1.004 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CNC2(CO)CCSCC2)c1 ZINC000593033306 449109138 /nfs/dbraw/zinc/10/91/38/449109138.db2.gz NAESDXRYECTJGE-UHFFFAOYSA-N 0 3 340.401 1.729 20 5 EDBDHN C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](C)[C@H]1O ZINC000595737459 449139931 /nfs/dbraw/zinc/13/99/31/449139931.db2.gz CMEFWUPLPQNLDU-ATCWAGBWSA-N 0 3 349.387 1.842 20 5 EDBDHN CN(CCN1CCCCC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593113325 449141640 /nfs/dbraw/zinc/14/16/40/449141640.db2.gz YZPPLFVRFBDHHS-UHFFFAOYSA-N 0 3 346.431 1.902 20 5 EDBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000590751814 449272317 /nfs/dbraw/zinc/27/23/17/449272317.db2.gz HYPXYCYPVGODBU-ILXRZTDVSA-N 0 3 347.371 1.631 20 5 EDBDHN CN(C)CC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000611280813 449248411 /nfs/dbraw/zinc/24/84/11/449248411.db2.gz OBCRCGVDQVWAGV-UHFFFAOYSA-N 0 3 347.462 1.838 20 5 EDBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CCCCN3CCO)c2c1 ZINC000590709123 449255588 /nfs/dbraw/zinc/25/55/88/449255588.db2.gz IHHKLQUKUPGCIO-CYBMUJFWSA-N 0 3 331.376 1.797 20 5 EDBDHN C[C@H](NCCCN1CCCS1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000611335583 449265688 /nfs/dbraw/zinc/26/56/88/449265688.db2.gz RDGLHOVGWJDRSV-LBPRGKRZSA-N 0 3 327.406 1.671 20 5 EDBDHN C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@]1(C)CO ZINC000595875180 449225463 /nfs/dbraw/zinc/22/54/63/449225463.db2.gz PZAYYHPFOUJMOA-YVEFUNNKSA-N 0 3 349.387 1.843 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000598341911 449356993 /nfs/dbraw/zinc/35/69/93/449356993.db2.gz IBMBZSLQKSGCRS-CQSZACIVSA-N 0 3 343.387 1.995 20 5 EDBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000596049313 449336148 /nfs/dbraw/zinc/33/61/48/449336148.db2.gz DOWSGGZZCZBSEK-SNVBAGLBSA-N 0 3 341.311 1.246 20 5 EDBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000596050059 449337281 /nfs/dbraw/zinc/33/72/81/449337281.db2.gz HXPVLOWJFOXAKJ-SECBINFHSA-N 0 3 327.284 1.105 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCN1 ZINC000598574757 449471658 /nfs/dbraw/zinc/47/16/58/449471658.db2.gz SZZDUZIHXYRGGF-INIZCTEOSA-N 0 3 343.387 1.851 20 5 EDBDHN CC(C)(C)N1CC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596328450 449475143 /nfs/dbraw/zinc/47/51/43/449475143.db2.gz YSOGGYUIYRHZMW-SNVBAGLBSA-N 0 3 342.421 1.527 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598902084 449639229 /nfs/dbraw/zinc/63/92/29/449639229.db2.gz ASTXCAWAIUYJGN-UHFFFAOYSA-N 0 3 337.380 1.173 20 5 EDBDHN CC[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000599101651 449733334 /nfs/dbraw/zinc/73/33/34/449733334.db2.gz NQIMUZRSIGKOEU-WDEREUQCSA-N 0 3 329.378 1.022 20 5 EDBDHN CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000601192293 449743375 /nfs/dbraw/zinc/74/33/75/449743375.db2.gz UMRYVFRPYJETNG-CABCVRRESA-N 0 3 349.435 1.979 20 5 EDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601319565 449827828 /nfs/dbraw/zinc/82/78/28/449827828.db2.gz OXTYQRFGSNAADH-GFCCVEGCSA-N 0 3 337.351 1.717 20 5 EDBDHN CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000597190443 449864767 /nfs/dbraw/zinc/86/47/67/449864767.db2.gz JZUSXGRZEDXGJO-UXIGCNINSA-N 0 3 342.417 1.318 20 5 EDBDHN N[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1F ZINC000595121281 449882773 /nfs/dbraw/zinc/88/27/73/449882773.db2.gz MRUQESOWLCVXNI-RKDXNWHRSA-N 0 3 337.760 1.308 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000601421926 449940109 /nfs/dbraw/zinc/94/01/09/449940109.db2.gz NAOGWBIYSPPDJZ-STQMWFEESA-N 0 3 341.433 1.925 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC3(CCSCC3)CC2)c1 ZINC000602950060 449951825 /nfs/dbraw/zinc/95/18/25/449951825.db2.gz YKAGUPRQWQQABN-AWEZNQCLSA-N 0 3 340.449 1.761 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595232145 449962310 /nfs/dbraw/zinc/96/23/10/449962310.db2.gz VBXHAKOWZJBDJI-GHMZBOCLSA-N 0 3 326.328 1.897 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595264359 449986538 /nfs/dbraw/zinc/98/65/38/449986538.db2.gz WEMQCIXEBLKHPE-VXGBXAGGSA-N 0 3 326.328 1.184 20 5 EDBDHN CC(C)N(CCN1C(=O)CN(C)C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000595295646 450010708 /nfs/dbraw/zinc/01/07/08/450010708.db2.gz NTQAJJBAVIHJSJ-UHFFFAOYSA-N 0 3 334.376 1.699 20 5 EDBDHN COc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000597693131 450201626 /nfs/dbraw/zinc/20/16/26/450201626.db2.gz BHAWDWUDVCPVKZ-UKRRQHHQSA-N 0 3 349.387 1.539 20 5 EDBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cc3c(c([N+](=O)[O-])c1)OCO3)C2 ZINC000597712037 450214859 /nfs/dbraw/zinc/21/48/59/450214859.db2.gz ZFJUEXXHVHUZNT-QGZVFWFLSA-N 0 3 347.371 1.881 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)n1 ZINC000610484826 450239213 /nfs/dbraw/zinc/23/92/13/450239213.db2.gz AHUBUOMYNRHAFL-GASCZTMLSA-N 0 3 327.388 1.860 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832696 450240608 /nfs/dbraw/zinc/24/06/08/450240608.db2.gz ILWHXGSSIOOSRK-MRXNPFEDSA-N 0 3 345.359 1.331 20 5 EDBDHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000619786660 450334573 /nfs/dbraw/zinc/33/45/73/450334573.db2.gz CZBRHKMRNGMGBZ-AWEZNQCLSA-N 0 3 343.387 1.960 20 5 EDBDHN CCOc1ccc([C@@H](C)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000271074674 535412853 /nfs/dbraw/zinc/41/28/53/535412853.db2.gz GEMFNGAQOPOBSQ-HIFRSBDPSA-N 0 3 336.436 1.890 20 5 EDBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000345571963 536343544 /nfs/dbraw/zinc/34/35/44/536343544.db2.gz WEKRXJZUSMZDCT-UHFFFAOYSA-N 0 3 339.417 1.503 20 5 EDBDHN COC(=O)c1cc(NC(=O)C[C@@H]2CSCCN2)cc([N+](=O)[O-])c1 ZINC000262849379 536531223 /nfs/dbraw/zinc/53/12/23/536531223.db2.gz ZFUGIVKSGYKYOP-LLVKDONJSA-N 0 3 339.373 1.415 20 5 EDBDHN COC[C@@H](Cc1ccccc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248960421 536645309 /nfs/dbraw/zinc/64/53/09/536645309.db2.gz BCCUBAKBOIHZIB-NVXWUHKLSA-N 0 3 348.403 1.342 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](O)c2cccc(Cl)c2)c1 ZINC000743261549 579474456 /nfs/dbraw/zinc/47/44/56/579474456.db2.gz VCHSALMWWTXDOG-KGLIPLIRSA-N 0 3 340.767 1.129 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000726165199 578335279 /nfs/dbraw/zinc/33/52/79/578335279.db2.gz WXBZQBRGYDLGOS-QWHCGFSZSA-N 0 3 344.371 1.669 20 5 EDBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729497533 578577918 /nfs/dbraw/zinc/57/79/18/578577918.db2.gz PSROOJGULFVAFN-ZIAGYGMSSA-N 0 3 334.376 1.257 20 5 EDBDHN COCCN1CCC[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000729984292 578605856 /nfs/dbraw/zinc/60/58/56/578605856.db2.gz YYCPTLGEEGZSMV-WUKHSURWSA-N 0 3 333.388 1.835 20 5 EDBDHN COCCN1CCC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000729984289 578605869 /nfs/dbraw/zinc/60/58/69/578605869.db2.gz YYCPTLGEEGZSMV-AJHXJQRKSA-N 0 3 333.388 1.835 20 5 EDBDHN COc1ccc([C@@H](O)CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749672205 579734338 /nfs/dbraw/zinc/73/43/38/579734338.db2.gz QDBLEDODNAVANB-IRXDYDNUSA-N 0 3 332.356 1.960 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790931722 580781542 /nfs/dbraw/zinc/78/15/42/580781542.db2.gz RACMANVQGMFVQK-CQSZACIVSA-N 0 3 345.758 1.113 20 5 EDBDHN COc1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000793291707 580840991 /nfs/dbraw/zinc/84/09/91/580840991.db2.gz UMYZWDAKHCNBRU-NWDGAFQWSA-N 0 3 335.360 1.196 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000892202558 590862524 /nfs/dbraw/zinc/86/25/24/590862524.db2.gz NCFQUIMVOLKQQK-LSDHHAIUSA-N 0 3 348.403 1.982 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCN(C)C)C1CC1 ZINC000902667234 592043497 /nfs/dbraw/zinc/04/34/97/592043497.db2.gz BQUKHSGJNROQIZ-UHFFFAOYSA-N 0 3 334.376 1.394 20 5 EDBDHN CN1CCN(C)CC(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000906961154 592437218 /nfs/dbraw/zinc/43/72/18/592437218.db2.gz UHJNJYLZFSMLIM-UHFFFAOYSA-N 0 3 340.811 1.358 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H](O)C(F)(F)C(F)(F)F)c1 ZINC000905447932 592528377 /nfs/dbraw/zinc/52/83/77/592528377.db2.gz VPALDYHFXHDUTE-UWVGGRQHSA-N 0 3 344.236 1.776 20 5 EDBDHN C[C@@H]1CN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C[C@H](C)N1C ZINC000840090672 593165059 /nfs/dbraw/zinc/16/50/59/593165059.db2.gz SJLVHKKRYLASQD-TXEJJXNPSA-N 0 3 347.375 1.393 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804460942 593416827 /nfs/dbraw/zinc/41/68/27/593416827.db2.gz BRBYVUPHLMLWPZ-GFCCVEGCSA-N 0 3 347.419 1.563 20 5 EDBDHN COc1ccc(CN2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813103190 593517347 /nfs/dbraw/zinc/51/73/47/593517347.db2.gz APYDCQWOWAPQQO-AAEUAGOBSA-N 0 3 336.344 1.252 20 5 EDBDHN CC(COC(=O)c1cccc(N2CCCS2(=O)=O)c1)[N+](=O)[O-] ZINC000813107991 593518006 /nfs/dbraw/zinc/51/80/06/593518006.db2.gz ZXARJVJCTUDVPW-JTQLQIEISA-N 0 3 328.346 1.049 20 5 EDBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1Cc1ccc(F)cc1 ZINC000813106517 593518109 /nfs/dbraw/zinc/51/81/09/593518109.db2.gz CUQPEDKOCQHFOP-SNVBAGLBSA-N 0 3 336.323 1.850 20 5 EDBDHN CCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112138 593518450 /nfs/dbraw/zinc/51/84/50/593518450.db2.gz CETFHKGBWYXMIX-JTQLQIEISA-N 0 3 330.362 1.115 20 5 EDBDHN COc1ccc([C@@H]2[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC(=O)N2C)cc1 ZINC000813115347 593518847 /nfs/dbraw/zinc/51/88/47/593518847.db2.gz PQVLZIHIVQZOMC-RIEGTJTDSA-N 0 3 336.344 1.423 20 5 EDBDHN CC(COC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)[N+](=O)[O-] ZINC000813112577 593518858 /nfs/dbraw/zinc/51/88/58/593518858.db2.gz IQZWBBAVXPXXOU-QMMMGPOBSA-N 0 3 329.378 1.879 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000816950204 593562487 /nfs/dbraw/zinc/56/24/87/593562487.db2.gz NGVDDKSYVHEISG-WFASDCNBSA-N 0 3 329.360 1.107 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)[C@@H]2C1 ZINC000816955131 593563264 /nfs/dbraw/zinc/56/32/64/593563264.db2.gz UVNFTSOKMABYMH-CXAGYDPISA-N 0 3 344.415 1.971 20 5 EDBDHN CN(C[C@@H]1CCCN1C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000817490673 593607751 /nfs/dbraw/zinc/60/77/51/593607751.db2.gz IEFZGTKSAQFGAF-AWEZNQCLSA-N 0 3 331.376 1.497 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000815285445 593624999 /nfs/dbraw/zinc/62/49/99/593624999.db2.gz HDESUOOPARZLQH-ZACQAIPSSA-N 0 3 336.388 1.538 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000818292090 593690247 /nfs/dbraw/zinc/69/02/47/593690247.db2.gz ZBDYQDBGSDADQL-QWHCGFSZSA-N 0 3 349.778 1.549 20 5 EDBDHN CCNCC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000818470427 593698811 /nfs/dbraw/zinc/69/88/11/593698811.db2.gz OJUBOEJKMOHCEB-ZDUSSCGKSA-N 0 3 337.376 1.703 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2CCCCS2(=O)=O)cc1 ZINC000819221755 593744985 /nfs/dbraw/zinc/74/49/85/593744985.db2.gz NSYVKNVMBQBWEF-ZIAGYGMSSA-N 0 3 328.390 1.185 20 5 EDBDHN O=C1NCCc2ccc(CNC[C@H](O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000819228104 593745640 /nfs/dbraw/zinc/74/56/40/593745640.db2.gz HADVTXJXMRCQHH-KRWDZBQOSA-N 0 3 341.367 1.704 20 5 EDBDHN O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821051667 593953607 /nfs/dbraw/zinc/95/36/07/593953607.db2.gz FQLMKGKAUGFQFL-GVDBMIGSSA-N 0 3 347.415 1.661 20 5 EDBDHN CCC[N@H+](C)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000821088098 593963178 /nfs/dbraw/zinc/96/31/78/593963178.db2.gz JPHQWBZQXMWROA-GFCCVEGCSA-N 0 3 345.407 1.943 20 5 EDBDHN CCC[N@@H+](C)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000821088098 593963181 /nfs/dbraw/zinc/96/31/81/593963181.db2.gz JPHQWBZQXMWROA-GFCCVEGCSA-N 0 3 345.407 1.943 20 5 EDBDHN CS[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000828372711 594404072 /nfs/dbraw/zinc/40/40/72/594404072.db2.gz LBBHRDFKNHQCID-QWHCGFSZSA-N 0 3 329.466 1.860 20 5 EDBDHN CC(C)CN(CC1CCN(C)CC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000829583381 594645355 /nfs/dbraw/zinc/64/53/55/594645355.db2.gz BPVCKUCYUATLAZ-UHFFFAOYSA-N 0 3 337.424 1.768 20 5 EDBDHN CCO[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])CN(C)C ZINC000831737127 594697729 /nfs/dbraw/zinc/69/77/29/594697729.db2.gz CTSALSUXTBSFCJ-SNVBAGLBSA-N 0 3 329.784 1.945 20 5 EDBDHN CC([C@H](OC(=O)CCCCNC(N)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874939 595085743 /nfs/dbraw/zinc/08/57/43/595085743.db2.gz KHVAFZFGOSUZHV-YGRLFVJLSA-N 0 3 341.339 1.914 20 5 EDBDHN CC([C@H](OC(=O)CCn1cnccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845882634 595087959 /nfs/dbraw/zinc/08/79/59/595087959.db2.gz PGVVSWXOBWOJII-BZNIZROVSA-N 0 3 349.318 1.722 20 5 EDBDHN COc1cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000867309502 595226700 /nfs/dbraw/zinc/22/67/00/595226700.db2.gz SIXGRISBMWJTAM-PWSUYJOCSA-N 0 3 343.405 1.317 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H](O)c1ccccn1 ZINC000843095589 595286177 /nfs/dbraw/zinc/28/61/77/595286177.db2.gz OHASOXQURDDBIJ-DOMZBBRYSA-N 0 3 333.344 1.053 20 5 EDBDHN CC(COC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000845575252 595520971 /nfs/dbraw/zinc/52/09/71/595520971.db2.gz GPQIRPSLERQTDS-FPMFFAJLSA-N 0 3 336.344 1.900 20 5 EDBDHN CC(C)(C)N1CC[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000855289378 595662940 /nfs/dbraw/zinc/66/29/40/595662940.db2.gz QGBBOKUOINQFEF-ZDUSSCGKSA-N 0 3 349.387 1.775 20 5 EDBDHN CCS(=O)(=O)C1(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000853116088 595669500 /nfs/dbraw/zinc/66/95/00/595669500.db2.gz GDJXRDSDHAAQBX-ZDUSSCGKSA-N 0 3 328.390 1.185 20 5 EDBDHN CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000855360548 595685443 /nfs/dbraw/zinc/68/54/43/595685443.db2.gz HDDOZUXMDMNOBF-ZDUSSCGKSA-N 0 3 335.360 1.339 20 5 EDBDHN C[C@H](CSCCF)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000850435176 595833498 /nfs/dbraw/zinc/83/34/98/595833498.db2.gz JIQHPTVUYQFHQH-LERXQTSPSA-N 0 3 332.397 1.670 20 5 EDBDHN COc1cc(C(=O)OC[C@@]2(C)C[C@H](OC)CN2C)ccc1[N+](=O)[O-] ZINC000861345941 595952664 /nfs/dbraw/zinc/95/26/64/595952664.db2.gz ZMAHTWZZBKFNNQ-BLLLJJGKSA-N 0 3 338.360 1.869 20 5 EDBDHN COC(=O)c1ccnc(NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000856726385 596060849 /nfs/dbraw/zinc/06/08/49/596060849.db2.gz FHFWEMXGYOVCME-MNOVXSKESA-N 0 3 336.348 1.052 20 5 EDBDHN CCCCN(C)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000112310192 596104702 /nfs/dbraw/zinc/10/47/02/596104702.db2.gz JUFSVVUSESTRII-UHFFFAOYSA-N 0 3 327.356 1.961 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000859585802 596139789 /nfs/dbraw/zinc/13/97/89/596139789.db2.gz CTUKAYKTXFSCIR-IRXDYDNUSA-N 0 3 346.387 1.136 20 5 EDBDHN CC(C)(CCC(=O)N1CCC(N2CCCOCC2)CC1)[N+](=O)[O-] ZINC000861987142 596170926 /nfs/dbraw/zinc/17/09/26/596170926.db2.gz XXZFNLUVFHEBQY-UHFFFAOYSA-N 0 3 327.425 1.535 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000870982913 596429359 /nfs/dbraw/zinc/42/93/59/596429359.db2.gz OHUKVABLMRTDHV-WBVHZDCISA-N 0 3 334.420 1.567 20 5 EDBDHN CN1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000867814404 596566485 /nfs/dbraw/zinc/56/64/85/596566485.db2.gz PMABPCJCBMOZMK-FZMZJTMJSA-N 0 3 325.390 1.310 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869776877 596627692 /nfs/dbraw/zinc/62/76/92/596627692.db2.gz ZNQCUOWQRXLHSC-ZDUSSCGKSA-N 0 3 335.404 1.787 20 5 EDBDHN CN(CC(=O)N1CC[C@@H]2[C@H]1CCCN2C)c1ccccc1[N+](=O)[O-] ZINC000874836360 597191442 /nfs/dbraw/zinc/19/14/42/597191442.db2.gz GEZVJZYGZYLREF-HUUCEWRRSA-N 0 3 332.404 1.726 20 5 EDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000874840952 597195102 /nfs/dbraw/zinc/19/51/02/597195102.db2.gz SFHAVYPIWKKLJZ-ZIAGYGMSSA-N 0 3 347.371 1.481 20 5 EDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000874844435 597196722 /nfs/dbraw/zinc/19/67/22/597196722.db2.gz RYTMDTGOSSSGGA-HUUCEWRRSA-N 0 3 337.351 1.808 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)c2cocn2)CC1 ZINC000940001695 700120253 /nfs/dbraw/zinc/12/02/53/700120253.db2.gz BKZZGJIGHHTYAZ-UHFFFAOYSA-N 0 3 348.363 1.101 20 5 EDBDHN CCN1CC[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000412837549 304039622 /nfs/dbraw/zinc/03/96/22/304039622.db2.gz JYLNYHQDYLKGSZ-GFCCVEGCSA-N 0 3 335.360 1.119 20 5 EDBDHN CCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000414006488 304094318 /nfs/dbraw/zinc/09/43/18/304094318.db2.gz PXGVUFPDGPPRIT-LLVKDONJSA-N 0 3 339.417 1.503 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000103492342 204082600 /nfs/dbraw/zinc/08/26/00/204082600.db2.gz APEDPHXHMKPSEV-UHFFFAOYSA-N 0 3 348.447 1.623 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C(N)=O)C(C)(C)C ZINC000106444555 204194944 /nfs/dbraw/zinc/19/49/44/204194944.db2.gz OSABMBDNFFPYBB-AWEZNQCLSA-N 0 3 336.392 1.721 20 5 EDBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000237318955 139047720 /nfs/dbraw/zinc/04/77/20/139047720.db2.gz NRLOWKLHBLGDMN-UHFFFAOYSA-N 0 3 336.392 1.161 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237322978 139047852 /nfs/dbraw/zinc/04/78/52/139047852.db2.gz OTZHPJYJPCKLCL-LLVKDONJSA-N 0 3 343.405 1.271 20 5 EDBDHN CCN1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000130905018 205264890 /nfs/dbraw/zinc/26/48/90/205264890.db2.gz ZSCPQTVYBASKAN-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157790917 206156673 /nfs/dbraw/zinc/15/66/73/206156673.db2.gz YPHHADPLGOTKIO-KBPBESRZSA-N 0 3 337.424 1.808 20 5 EDBDHN CN1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000248128964 139158463 /nfs/dbraw/zinc/15/84/63/139158463.db2.gz WCVFHVVWSJZHNX-DOTOQJQBSA-N 0 3 343.387 1.743 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000415504085 304225327 /nfs/dbraw/zinc/22/53/27/304225327.db2.gz OUUNQHXEJGSXNJ-LLVKDONJSA-N 0 3 330.291 1.722 20 5 EDBDHN CC(C)C[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111829753 206988025 /nfs/dbraw/zinc/98/80/25/206988025.db2.gz FBQMXZNHSNRWPH-VIFPVBQESA-N 0 3 335.813 1.900 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000424411374 252217403 /nfs/dbraw/zinc/21/74/03/252217403.db2.gz ASTPVMGPHYMUAK-UONOGXRCSA-N 0 3 330.348 1.287 20 5 EDBDHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCCN3CCCO)cc2N1 ZINC000450597163 254679749 /nfs/dbraw/zinc/67/97/49/254679749.db2.gz OTFULVGJFXBQAW-CYBMUJFWSA-N 0 3 348.403 1.738 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000474006331 255019207 /nfs/dbraw/zinc/01/92/07/255019207.db2.gz ATVYJWYBOFGIEW-JOCQHMNTSA-N 0 3 338.360 1.540 20 5 EDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1CCO ZINC000493456332 255209546 /nfs/dbraw/zinc/20/95/46/255209546.db2.gz QSPHELVRWDNQPG-CXOKCQFOSA-N 0 3 333.388 1.571 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000493881571 255224891 /nfs/dbraw/zinc/22/48/91/255224891.db2.gz DWVFLYQFFIWBGH-UHFFFAOYSA-N 0 3 345.421 1.068 20 5 EDBDHN COc1cc(OCC(=O)NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272003820 140385970 /nfs/dbraw/zinc/38/59/70/140385970.db2.gz RXYFCEJHRIEMOM-UHFFFAOYSA-N 0 3 335.360 1.360 20 5 EDBDHN O=C(NCCNc1ccncc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000340302976 142335521 /nfs/dbraw/zinc/33/55/21/142335521.db2.gz UAIXSCUZWFOHTE-UHFFFAOYSA-N 0 3 329.360 1.366 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H]1CCCN(C)C1 ZINC000416561112 304331767 /nfs/dbraw/zinc/33/17/67/304331767.db2.gz MNEBNPVAMOFWQZ-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN CCc1n[n-]c(C(=O)N2CCC(n3c[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000369784685 155175094 /nfs/dbraw/zinc/17/50/94/155175094.db2.gz PXGULOBRYXWQCS-UHFFFAOYSA-N 0 3 332.364 1.863 20 5 EDBDHN CC(C)[C@](C)(CO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000352920477 149215594 /nfs/dbraw/zinc/21/55/94/149215594.db2.gz ZZVOKZCPUJMWTB-HNNXBMFYSA-N 0 3 339.348 1.259 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C ZINC000357412759 151024434 /nfs/dbraw/zinc/02/44/34/151024434.db2.gz BFIAIFPCYKVGOW-STQMWFEESA-N 0 3 343.387 1.993 20 5 EDBDHN CN(CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000357996815 151228218 /nfs/dbraw/zinc/22/82/18/151228218.db2.gz YMMLWOOGJNJLEQ-UHFFFAOYSA-N 0 3 334.376 1.593 20 5 EDBDHN C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1=CCN(C)CC1 ZINC000358390500 151359481 /nfs/dbraw/zinc/35/94/81/151359481.db2.gz XXOPMWICRJLXBD-SNVBAGLBSA-N 0 3 329.360 1.851 20 5 EDBDHN COc1ccc(CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000173457859 286303272 /nfs/dbraw/zinc/30/32/72/286303272.db2.gz YBOVNAYCSXRION-MRXNPFEDSA-N 0 3 346.387 1.825 20 5 EDBDHN CN1CCN(CC2(C)CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000361047508 152289261 /nfs/dbraw/zinc/28/92/61/152289261.db2.gz YNZFKCOQHMIVKH-UHFFFAOYSA-N 0 3 333.436 1.844 20 5 EDBDHN C[C@H](CO)N1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000367827800 154287179 /nfs/dbraw/zinc/28/71/79/154287179.db2.gz YJZMCRVCBKRSRZ-SNVBAGLBSA-N 0 3 337.405 1.492 20 5 EDBDHN COC(=O)[C@]12CN(Cc3ccc(C)c([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000369535857 155076152 /nfs/dbraw/zinc/07/61/52/155076152.db2.gz CMZPZWHRUCRLFP-WMLDXEAASA-N 0 3 334.372 1.915 20 5 EDBDHN CC(C)(C(=O)NC[C@@]1(O)CN2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000574888593 306659359 /nfs/dbraw/zinc/65/93/59/306659359.db2.gz BYMGDBFIKGBOEV-GOSISDBHSA-N 0 3 347.415 1.445 20 5 EDBDHN CCN(CC)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000126766070 287427720 /nfs/dbraw/zinc/42/77/20/287427720.db2.gz VUBUWWDGRNYDBG-OAHLLOKOSA-N 0 3 345.403 1.991 20 5 EDBDHN COC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000273308474 268021496 /nfs/dbraw/zinc/02/14/96/268021496.db2.gz TVWNLFVWGPYIEV-AWEZNQCLSA-N 0 3 330.406 1.629 20 5 EDBDHN COC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000273335131 268028258 /nfs/dbraw/zinc/02/82/58/268028258.db2.gz NFZAMYAKHOBQSH-LLVKDONJSA-N 0 3 337.332 1.277 20 5 EDBDHN CN(C(=O)CN[C@@H]1CCC(=O)NC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000282746876 273711444 /nfs/dbraw/zinc/71/14/44/273711444.db2.gz JURKCIDLQPEHGZ-CQSZACIVSA-N 0 3 346.387 1.349 20 5 EDBDHN CN(C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCSC1 ZINC000284458622 274209200 /nfs/dbraw/zinc/20/92/00/274209200.db2.gz RSHVLSSJFKJMRC-AWEZNQCLSA-N 0 3 342.396 1.483 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000067209211 274845862 /nfs/dbraw/zinc/84/58/62/274845862.db2.gz KZNNLZNWNYPBTI-AWEZNQCLSA-N 0 3 343.387 1.619 20 5 EDBDHN COC(=O)C1CCN(CCCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286291230 287975278 /nfs/dbraw/zinc/97/52/78/287975278.db2.gz XVGDKZOQPSMPFV-UHFFFAOYSA-N 0 3 336.392 1.864 20 5 EDBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000262010579 278360904 /nfs/dbraw/zinc/36/09/04/278360904.db2.gz WIIOHSMYVZQWAF-NXEZZACHSA-N 0 3 347.824 1.915 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000261798554 278744186 /nfs/dbraw/zinc/74/41/86/278744186.db2.gz UQYCKEYXDFAATC-CHWSQXEVSA-N 0 3 341.433 1.878 20 5 EDBDHN C[C@@H](CN(C)C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000286847167 288103421 /nfs/dbraw/zinc/10/34/21/288103421.db2.gz ASZTXGPMOSVOME-ZDUSSCGKSA-N 0 3 334.420 1.878 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000237666524 281261969 /nfs/dbraw/zinc/26/19/69/281261969.db2.gz JLBSMBMSHFTDLE-VXGBXAGGSA-N 0 3 327.406 1.699 20 5 EDBDHN C[C@H]1[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000291669635 289144594 /nfs/dbraw/zinc/14/45/94/289144594.db2.gz CKKKKJSKLFJXRG-DZGCQCFKSA-N 0 3 343.387 1.571 20 5 EDBDHN COc1cc(OCC(=O)N2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292190402 289284577 /nfs/dbraw/zinc/28/45/77/289284577.db2.gz LFRUXMFXDIYISS-QGZVFWFLSA-N 0 3 349.387 1.536 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000292551368 289378832 /nfs/dbraw/zinc/37/88/32/289378832.db2.gz HNMVKEZHNOFBJO-SNVBAGLBSA-N 0 3 329.422 1.688 20 5 EDBDHN Cc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376404902 301120518 /nfs/dbraw/zinc/12/05/18/301120518.db2.gz BLEVPVRQBXFBEM-RYUDHWBXSA-N 0 3 334.376 1.703 20 5 EDBDHN CCc1cc(NC[C@@H]2CNCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420272502 304741434 /nfs/dbraw/zinc/74/14/34/304741434.db2.gz CMWAGLNUNVNEKK-HNNXBMFYSA-N 0 3 343.387 1.436 20 5 EDBDHN CC[C@H](C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N(C)C ZINC000294358450 303096512 /nfs/dbraw/zinc/09/65/12/303096512.db2.gz BHEXAOQNPUHIGS-CQSZACIVSA-N 0 3 348.403 1.219 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000301173938 303664402 /nfs/dbraw/zinc/66/44/02/303664402.db2.gz FTHLBHQHZNFMPN-UHFFFAOYSA-N 0 3 332.404 1.648 20 5 EDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1CCO ZINC000493569198 447344073 /nfs/dbraw/zinc/34/40/73/447344073.db2.gz RYPLFNNWUPMPQT-HVHJFMEUSA-N 0 3 333.388 1.571 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCN(C)Cc2ccccc2)c1 ZINC000430104127 305045637 /nfs/dbraw/zinc/04/56/37/305045637.db2.gz UJNZASLTKJMUGT-UHFFFAOYSA-N 0 3 345.355 1.675 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1 ZINC000433961880 305115855 /nfs/dbraw/zinc/11/58/55/305115855.db2.gz WQNAMBWPVMVVHO-AWEZNQCLSA-N 0 3 335.404 1.726 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCCCN2CCO)s1 ZINC000450608418 305330903 /nfs/dbraw/zinc/33/09/03/305330903.db2.gz CRURLTQDHFPGCC-JTQLQIEISA-N 0 3 337.405 1.858 20 5 EDBDHN C[C@@H](O)CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000534870749 306009134 /nfs/dbraw/zinc/00/91/34/306009134.db2.gz DNPRBDMKMQVWJG-CQSZACIVSA-N 0 3 331.372 1.640 20 5 EDBDHN COc1ccc(CN(C)C)cc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000536585021 306023171 /nfs/dbraw/zinc/02/31/71/306023171.db2.gz WDHJMVKOGSZCOP-UHFFFAOYSA-N 0 3 333.348 1.651 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H](CO)[C@@H](O)C3)o2)c1 ZINC000554742178 306197356 /nfs/dbraw/zinc/19/73/56/306197356.db2.gz ULINFNQOVSSJEH-HIFRSBDPSA-N 0 3 347.371 1.467 20 5 EDBDHN Cc1cc(C)c(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000557224591 306226752 /nfs/dbraw/zinc/22/67/52/306226752.db2.gz DDBWHRBUGLNGGV-CQSZACIVSA-N 0 3 347.371 1.842 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000419811944 447427491 /nfs/dbraw/zinc/42/74/91/447427491.db2.gz IXGCUJPGOYWWDG-UHFFFAOYSA-N 0 3 334.376 1.306 20 5 EDBDHN CN(C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000045053449 440942892 /nfs/dbraw/zinc/94/28/92/440942892.db2.gz PPBLFGGQIOXDCE-AWEZNQCLSA-N 0 3 331.376 1.080 20 5 EDBDHN C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC1 ZINC000063732767 441347816 /nfs/dbraw/zinc/34/78/16/441347816.db2.gz LCFXWTFNRAJMGM-ZDUSSCGKSA-N 0 3 343.387 1.995 20 5 EDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000108306509 441442671 /nfs/dbraw/zinc/44/26/71/441442671.db2.gz REYHCZDTWGSPCB-LLVKDONJSA-N 0 3 329.360 1.685 20 5 EDBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000064994698 441399815 /nfs/dbraw/zinc/39/98/15/441399815.db2.gz ZRDZCIVBYFUHKO-DZGCQCFKSA-N 0 3 335.404 1.958 20 5 EDBDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000112549506 441550732 /nfs/dbraw/zinc/55/07/32/441550732.db2.gz JPTJOQXFWUCXHC-GXFFZTMASA-N 0 3 344.375 1.426 20 5 EDBDHN CCN1CCN(CCCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000114378766 441649850 /nfs/dbraw/zinc/64/98/50/441649850.db2.gz SASVKZXSENIICD-UHFFFAOYSA-N 0 3 349.435 1.325 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C[NH3+] ZINC000173336718 441718048 /nfs/dbraw/zinc/71/80/48/441718048.db2.gz IZZWLPFYVNZWDE-JQWIXIFHSA-N 0 3 343.405 1.399 20 5 EDBDHN COc1ccc(OCCN[C@@H](C(N)=O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000173343248 441719141 /nfs/dbraw/zinc/71/91/41/441719141.db2.gz ZJHJCBXDZMAORM-ZDUSSCGKSA-N 0 3 325.365 1.472 20 5 EDBDHN CN(CCc1ccncc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000121534725 441726942 /nfs/dbraw/zinc/72/69/42/441726942.db2.gz KQHIMWNHNCHWEZ-MRXNPFEDSA-N 0 3 331.372 1.904 20 5 EDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000173996093 441876344 /nfs/dbraw/zinc/87/63/44/441876344.db2.gz CUYMIZWREXYAIO-NSHDSACASA-N 0 3 345.396 1.839 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000118097545 441887715 /nfs/dbraw/zinc/88/77/15/441887715.db2.gz NIXSJBUUJIZRLJ-CYBMUJFWSA-N 0 3 334.376 1.442 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)CCN(C)C ZINC000119667035 441946392 /nfs/dbraw/zinc/94/63/92/441946392.db2.gz VXJYKTRTRVMNOF-UHFFFAOYSA-N 0 3 337.424 1.860 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000069499342 441953393 /nfs/dbraw/zinc/95/33/93/441953393.db2.gz FANGYZKOCGEXOY-GFCCVEGCSA-N 0 3 337.376 1.444 20 5 EDBDHN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H](CN)C2CC2)cc1[N+](=O)[O-] ZINC000415444205 447445366 /nfs/dbraw/zinc/44/53/66/447445366.db2.gz ICKWLFHDPKGJCE-CYBMUJFWSA-N 0 3 348.403 1.684 20 5 EDBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000162042467 442057987 /nfs/dbraw/zinc/05/79/87/442057987.db2.gz RRFDVXLLOQTYHU-YPMHNXCESA-N 0 3 339.392 1.927 20 5 EDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000120518135 442087297 /nfs/dbraw/zinc/08/72/97/442087297.db2.gz QHLJRRPJNJEQLY-RYUDHWBXSA-N 0 3 328.390 1.383 20 5 EDBDHN COCCCN(C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152488336 442219291 /nfs/dbraw/zinc/21/92/91/442219291.db2.gz GRCTZBOMQIGZCV-UHFFFAOYSA-N 0 3 329.784 1.946 20 5 EDBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CCCCN2CC(C)C)c1[N+](=O)[O-] ZINC000154135229 442323191 /nfs/dbraw/zinc/32/31/91/442323191.db2.gz XZJKPKHZLULTDD-ZDUSSCGKSA-N 0 3 337.424 1.877 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCN(C)C(C)C ZINC000155577031 442409726 /nfs/dbraw/zinc/40/97/26/442409726.db2.gz KKEISUBJNYGCTN-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN C[C@H]1CN(CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000192769612 442685033 /nfs/dbraw/zinc/68/50/33/442685033.db2.gz ZMHSQODOKLZENM-KBPBESRZSA-N 0 3 335.408 1.197 20 5 EDBDHN CC(C)N1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)C1 ZINC000181321394 442690001 /nfs/dbraw/zinc/69/00/01/442690001.db2.gz CLFLYJQWEDYWNH-JQWIXIFHSA-N 0 3 335.360 1.782 20 5 EDBDHN C[C@@H](O)CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000192820548 442690028 /nfs/dbraw/zinc/69/00/28/442690028.db2.gz XOUAWQPFAKDDMV-LSDHHAIUSA-N 0 3 337.420 1.751 20 5 EDBDHN O=C([C@H]1C[C@H](F)CN1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000188620354 442770813 /nfs/dbraw/zinc/77/08/13/442770813.db2.gz BXFFOKXQGXFFID-XHDPSFHLSA-N 0 3 337.351 1.665 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194403699 442890302 /nfs/dbraw/zinc/89/03/02/442890302.db2.gz JCBGLUBANLSWDV-UHFFFAOYSA-N 0 3 334.420 1.661 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000268189497 442890850 /nfs/dbraw/zinc/89/08/50/442890850.db2.gz DOHGPHDVTYRQFG-BXUZGUMPSA-N 0 3 327.406 1.307 20 5 EDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccc3c(c2)CNC3)cc1 ZINC000189211984 442898062 /nfs/dbraw/zinc/89/80/62/442898062.db2.gz YNKMFJBRQKFIDJ-UHFFFAOYSA-N 0 3 347.396 1.818 20 5 EDBDHN Cc1cc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1[N+](=O)[O-] ZINC000268816396 443118021 /nfs/dbraw/zinc/11/80/21/443118021.db2.gz IMWLUJJZYDHHOL-MRXNPFEDSA-N 0 3 332.404 1.646 20 5 EDBDHN COCCN(CCN(C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266748367 443227768 /nfs/dbraw/zinc/22/77/68/443227768.db2.gz GKDWHHRNVLTLJV-UHFFFAOYSA-N 0 3 338.408 1.357 20 5 EDBDHN CCN1CCC(NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411771894 319202464 /nfs/dbraw/zinc/20/24/64/319202464.db2.gz PKWOZMJGHILDLA-ZDUSSCGKSA-N 0 3 334.420 1.846 20 5 EDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000185971093 443292335 /nfs/dbraw/zinc/29/23/35/443292335.db2.gz BRYGGAGISNCROG-DOMZBBRYSA-N 0 3 339.417 1.700 20 5 EDBDHN NC(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000264545776 443321011 /nfs/dbraw/zinc/32/10/11/443321011.db2.gz BTJKANOETAIHCS-INIZCTEOSA-N 0 3 343.387 1.895 20 5 EDBDHN Cc1cc(C(=O)N(C)CCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000264606839 443344856 /nfs/dbraw/zinc/34/48/56/443344856.db2.gz GRVGNADJCFIWEN-UHFFFAOYSA-N 0 3 334.420 1.613 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000264620375 443349714 /nfs/dbraw/zinc/34/97/14/443349714.db2.gz NMQMVMQVDVJQRA-GFCCVEGCSA-N 0 3 343.405 1.318 20 5 EDBDHN COc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000272557249 443362699 /nfs/dbraw/zinc/36/26/99/443362699.db2.gz DONSDWAXUMJGGO-FZMZJTMJSA-N 0 3 349.387 1.778 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000278581032 443367710 /nfs/dbraw/zinc/36/77/10/443367710.db2.gz CSDINMWYCPZPPX-AWEZNQCLSA-N 0 3 339.392 1.929 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272584080 443371981 /nfs/dbraw/zinc/37/19/81/443371981.db2.gz ONWIVGORVPCSHM-GDBMZVCRSA-N 0 3 346.387 1.553 20 5 EDBDHN COCCN(CCN(C)C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272585173 443371989 /nfs/dbraw/zinc/37/19/89/443371989.db2.gz SDEDLDDGMLUNNT-UHFFFAOYSA-N 0 3 345.346 1.723 20 5 EDBDHN COC(=O)[C@H]1CC12CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000269686167 443396408 /nfs/dbraw/zinc/39/64/08/443396408.db2.gz ZVCDRSYFXGWPSR-CABCVRRESA-N 0 3 334.372 1.903 20 5 EDBDHN COCCN(C)CCCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286099818 443646393 /nfs/dbraw/zinc/64/63/93/443646393.db2.gz LAODJIRYUMOQOY-UHFFFAOYSA-N 0 3 335.364 1.624 20 5 EDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000440065574 320061075 /nfs/dbraw/zinc/06/10/75/320061075.db2.gz WACFWBIYBNOQCS-LLVKDONJSA-N 0 3 329.422 1.912 20 5 EDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000440069554 320061086 /nfs/dbraw/zinc/06/10/86/320061086.db2.gz HLMCRSRFZCLGEZ-GFCCVEGCSA-N 0 3 329.422 1.912 20 5 EDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000440075547 320061257 /nfs/dbraw/zinc/06/12/57/320061257.db2.gz HNTBWMPEWWFMLV-CYBMUJFWSA-N 0 3 343.449 1.787 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000449622179 320195411 /nfs/dbraw/zinc/19/54/11/320195411.db2.gz CXUXEJOLAOIDNB-AWEZNQCLSA-N 0 3 338.360 1.661 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000450628783 320221276 /nfs/dbraw/zinc/22/12/76/320221276.db2.gz WRWRGTNJLPPJKV-CYBMUJFWSA-N 0 3 347.293 1.410 20 5 EDBDHN C[C@@H](CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N(C)C ZINC000455443398 320303135 /nfs/dbraw/zinc/30/31/35/320303135.db2.gz PVVQKWLJJZBQKY-ZDUSSCGKSA-N 0 3 335.408 1.377 20 5 EDBDHN COC(=O)c1cc(C(=O)NC(C)(C)CN2CCCC2)cc([N+](=O)[O-])c1 ZINC000457043070 320318286 /nfs/dbraw/zinc/31/82/86/320318286.db2.gz WTWQQAAGLDTTEV-UHFFFAOYSA-N 0 3 349.387 1.986 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491564310 320372216 /nfs/dbraw/zinc/37/22/16/320372216.db2.gz WUBBXRVOPUAENI-FSNWXROXSA-N 0 3 333.388 1.835 20 5 EDBDHN CN1CC[C@@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000286296124 443685081 /nfs/dbraw/zinc/68/50/81/443685081.db2.gz VJXASWBHTALGPA-QWRGUYRKSA-N 0 3 335.389 1.509 20 5 EDBDHN COC(=O)[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000280752517 443743972 /nfs/dbraw/zinc/74/39/72/443743972.db2.gz NLLNPGJEJFIBEC-UXIGCNINSA-N 0 3 338.360 1.075 20 5 EDBDHN Cc1nccn1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570037580 321335311 /nfs/dbraw/zinc/33/53/11/321335311.db2.gz TTXMXEVZDAKCTJ-UHFFFAOYSA-N 0 3 338.389 1.163 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299690026 444117093 /nfs/dbraw/zinc/11/70/93/444117093.db2.gz ZBVHPFRWRJIONN-AWEZNQCLSA-N 0 3 348.447 1.907 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000289522482 444164372 /nfs/dbraw/zinc/16/43/72/444164372.db2.gz RQRWCTOLZPOHDK-OAHLLOKOSA-N 0 3 327.388 1.928 20 5 EDBDHN CN1CC=C(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000296327790 444221292 /nfs/dbraw/zinc/22/12/92/444221292.db2.gz PABOGZNSAYZDAS-UHFFFAOYSA-N 0 3 341.371 1.977 20 5 EDBDHN CC1(C)[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCO[C@H]21 ZINC000296105426 444205052 /nfs/dbraw/zinc/20/50/52/444205052.db2.gz IBEDRWGNTFFQGR-KBRIMQKVSA-N 0 3 345.399 1.887 20 5 EDBDHN COc1c(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cccc1[N+](=O)[O-] ZINC000331047691 444373258 /nfs/dbraw/zinc/37/32/58/444373258.db2.gz HALURTCQVBDNNP-OLZOCXBDSA-N 0 3 339.417 1.721 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@@H]1CO ZINC000297766413 444330938 /nfs/dbraw/zinc/33/09/38/444330938.db2.gz FVRBPOAYYDZCEV-CYBMUJFWSA-N 0 3 337.376 1.779 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000341323111 444778788 /nfs/dbraw/zinc/77/87/88/444778788.db2.gz TVLPAGUYMNBOMQ-LRDDRELGSA-N 0 3 347.419 1.789 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCC(=O)NC12CCC2 ZINC000338637630 444785506 /nfs/dbraw/zinc/78/55/06/444785506.db2.gz OYQUWLKEEADYMN-CQSZACIVSA-N 0 3 346.387 1.633 20 5 EDBDHN O=C([C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCCC1 ZINC000341610683 444918957 /nfs/dbraw/zinc/91/89/57/444918957.db2.gz UUEMSKIINKBUMI-CQSZACIVSA-N 0 3 348.403 1.091 20 5 EDBDHN Cn1cc(CNC[C@H](O)[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344478669 444999690 /nfs/dbraw/zinc/99/96/90/444999690.db2.gz AXALTQVJWALFKU-BBRMVZONSA-N 0 3 346.387 1.482 20 5 EDBDHN Cc1ccc([C@H](C)NCC2(O)CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000330512944 445013023 /nfs/dbraw/zinc/01/30/23/445013023.db2.gz GEWQCDJJKRRWNE-LBPRGKRZSA-N 0 3 342.417 1.494 20 5 EDBDHN COc1ccc(CN[C@H]2CCO[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000343414087 445218226 /nfs/dbraw/zinc/21/82/26/445218226.db2.gz XGGUKGAUASDYQR-BLLLJJGKSA-N 0 3 332.360 1.957 20 5 EDBDHN Cc1c(CNC(=O)C(=O)NCC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000354806776 445401880 /nfs/dbraw/zinc/40/18/80/445401880.db2.gz RCUWWKITVLDPFQ-UHFFFAOYSA-N 0 3 348.403 1.120 20 5 EDBDHN COCCN1CCC[C@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000360135020 445587682 /nfs/dbraw/zinc/58/76/82/445587682.db2.gz ONABKXGCGNXCIM-ZDUSSCGKSA-N 0 3 337.376 1.904 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000363105221 445679963 /nfs/dbraw/zinc/67/99/63/445679963.db2.gz ULSHIOZNUBBIKR-NEPJUHHUSA-N 0 3 345.359 1.064 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000353757160 445741288 /nfs/dbraw/zinc/74/12/88/445741288.db2.gz HOIIRQAOJPSAHU-CQSZACIVSA-N 0 3 340.376 1.643 20 5 EDBDHN Cc1cc(OCC(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000369175578 445971397 /nfs/dbraw/zinc/97/13/97/445971397.db2.gz WVEISVKAIDYZOD-BBRMVZONSA-N 0 3 333.388 1.835 20 5 EDBDHN CCN1CCC(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351099137 445989499 /nfs/dbraw/zinc/98/94/99/445989499.db2.gz CPUAFIOXHQEADI-UHFFFAOYSA-N 0 3 338.339 1.273 20 5 EDBDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000369282346 446047117 /nfs/dbraw/zinc/04/71/17/446047117.db2.gz GPTJTRQJQLDUFE-KBPBESRZSA-N 0 3 334.380 1.113 20 5 EDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000359238285 446070463 /nfs/dbraw/zinc/07/04/63/446070463.db2.gz QEQAPYVWUDPYRL-GFCCVEGCSA-N 0 3 333.392 1.543 20 5 EDBDHN Cc1ncccc1O[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000365276475 446119759 /nfs/dbraw/zinc/11/97/59/446119759.db2.gz ROJUNENDRDTPFM-CABCVRRESA-N 0 3 347.375 1.009 20 5 EDBDHN COCCN(CCN(C)C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000359554872 446288414 /nfs/dbraw/zinc/28/84/14/446288414.db2.gz YSMXBKCJJFIQDF-UHFFFAOYSA-N 0 3 338.408 1.623 20 5 EDBDHN CCOC(=O)c1cc(N2CCNC[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000420256086 446434624 /nfs/dbraw/zinc/43/46/24/446434624.db2.gz CGHYLSFMRDBJNU-HNNXBMFYSA-N 0 3 325.340 1.909 20 5 EDBDHN CCN1CCC[C@@H](NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000411576064 446612964 /nfs/dbraw/zinc/61/29/64/446612964.db2.gz NZIMTPLBWTVTFC-LLVKDONJSA-N 0 3 339.367 1.886 20 5 EDBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418778346 446696059 /nfs/dbraw/zinc/69/60/59/446696059.db2.gz INMPDEXQXLXWQZ-YPMHNXCESA-N 0 3 336.392 1.262 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411932497 446743786 /nfs/dbraw/zinc/74/37/86/446743786.db2.gz FVCVBGJPRSYXJG-HOTGVXAUSA-N 0 3 329.356 1.564 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000424114067 446858747 /nfs/dbraw/zinc/85/87/47/446858747.db2.gz PRFAAGAYNZKMNW-SMDDNHRTSA-N 0 3 332.360 1.086 20 5 EDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425012832 446991751 /nfs/dbraw/zinc/99/17/51/446991751.db2.gz PXOFHINLAYHDFY-DZGCQCFKSA-N 0 3 341.371 1.664 20 5 EDBDHN Cc1cc(NC(=O)NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000455084819 447044911 /nfs/dbraw/zinc/04/49/11/447044911.db2.gz PKOVPYCEDNYHNV-AWEZNQCLSA-N 0 3 336.392 1.872 20 5 EDBDHN CCN(CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000444176913 447089518 /nfs/dbraw/zinc/08/95/18/447089518.db2.gz RHFLNTUUFKTCLY-UHFFFAOYSA-N 0 3 345.421 1.612 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425536217 447216832 /nfs/dbraw/zinc/21/68/32/447216832.db2.gz GXSYGYSZMKMGKD-CQSZACIVSA-N 0 3 338.408 1.376 20 5 EDBDHN COc1ccc(CNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425665924 447259774 /nfs/dbraw/zinc/25/97/74/447259774.db2.gz YGINBPLRGOVBHV-DZGCQCFKSA-N 0 3 348.403 1.839 20 5 EDBDHN CC(C)NC(=O)c1ccc(N2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450792189 447577624 /nfs/dbraw/zinc/57/76/24/447577624.db2.gz NNSZSGOZFYUQRL-XJKSGUPXSA-N 0 3 332.404 1.873 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCN1CCCO ZINC000450598464 447534122 /nfs/dbraw/zinc/53/41/22/447534122.db2.gz QRUSSBJNOUNHJU-CYBMUJFWSA-N 0 3 336.392 1.213 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000420001417 447539163 /nfs/dbraw/zinc/53/91/63/447539163.db2.gz RGQWDKMHAMNWNF-QGZVFWFLSA-N 0 3 337.420 1.691 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408236776 447641562 /nfs/dbraw/zinc/64/15/62/447641562.db2.gz NTRMJRZDRXCPRQ-STQMWFEESA-N 0 3 341.433 1.864 20 5 EDBDHN CO[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451486767 447734955 /nfs/dbraw/zinc/73/49/55/447734955.db2.gz DWWDWHRQENSGIK-UONOGXRCSA-N 0 3 342.417 1.772 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@]2(CCOC2)C1 ZINC000451904831 447779072 /nfs/dbraw/zinc/77/90/72/447779072.db2.gz BTCTUCNDXJDYIG-YOEHRIQHSA-N 0 3 336.388 1.837 20 5 EDBDHN Cc1sc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000451927270 447786533 /nfs/dbraw/zinc/78/65/33/447786533.db2.gz KBEYYGDLMHUDGR-FGWVZKOKSA-N 0 3 345.446 1.868 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531804757 448148401 /nfs/dbraw/zinc/14/84/01/448148401.db2.gz MPUFGJIEMNSFGG-WBMJQRKESA-N 0 3 348.403 1.756 20 5 EDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)N(C)C1 ZINC000515667103 448341211 /nfs/dbraw/zinc/34/12/11/448341211.db2.gz FMOQRMDTAOCVJZ-GFCCVEGCSA-N 0 3 334.376 1.476 20 5 EDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000572339118 448349270 /nfs/dbraw/zinc/34/92/70/448349270.db2.gz SMQUKPIZANYMPR-LLVKDONJSA-N 0 3 335.360 1.878 20 5 EDBDHN CN1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000591733993 448476209 /nfs/dbraw/zinc/47/62/09/448476209.db2.gz TWPDDBRWWJZKJQ-GFCCVEGCSA-N 0 3 327.406 1.052 20 5 EDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCc2ccccc21 ZINC000592136377 448701376 /nfs/dbraw/zinc/70/13/76/448701376.db2.gz PSVMZMTUWHOCIN-QGZVFWFLSA-N 0 3 341.367 1.977 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000546626453 448834048 /nfs/dbraw/zinc/83/40/48/448834048.db2.gz BADNBFFNQGSAHG-LLVKDONJSA-N 0 3 348.403 1.608 20 5 EDBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000520503709 448903367 /nfs/dbraw/zinc/90/33/67/448903367.db2.gz ZUKKZRICCHWMTA-CYBMUJFWSA-N 0 3 343.387 1.852 20 5 EDBDHN COCCN(CCN(C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589196655 448986335 /nfs/dbraw/zinc/98/63/35/448986335.db2.gz WJDCDQQQBHXTEA-UHFFFAOYSA-N 0 3 339.392 1.376 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(CCN(C)C)C(=O)C1 ZINC000593655279 449132787 /nfs/dbraw/zinc/13/27/87/449132787.db2.gz BNPVEKUCVLUZTP-RVDMUPIBSA-N 0 3 346.431 1.704 20 5 EDBDHN CN(CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-])Cc1ccccc1 ZINC000548735604 449092747 /nfs/dbraw/zinc/09/27/47/449092747.db2.gz XTZKMQJIPCJRJJ-UHFFFAOYSA-N 0 3 343.387 1.824 20 5 EDBDHN C[C@H](C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599938071 449116829 /nfs/dbraw/zinc/11/68/29/449116829.db2.gz LPZKQLFRYTWTAS-MAZHCROVSA-N 0 3 333.388 1.366 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590282232 449124571 /nfs/dbraw/zinc/12/45/71/449124571.db2.gz ULTIIYWEPMGWTD-SMDDNHRTSA-N 0 3 332.360 1.004 20 5 EDBDHN C[C@]12COC[C@@H]1CN([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000595759960 449152903 /nfs/dbraw/zinc/15/29/03/449152903.db2.gz RNAKLVGSPIGQGJ-NUTKFTJISA-N 0 3 331.372 1.668 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000590443323 449164351 /nfs/dbraw/zinc/16/43/51/449164351.db2.gz IFLQTXDFEMDOIC-DZGCQCFKSA-N 0 3 333.388 1.835 20 5 EDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000590402388 449148528 /nfs/dbraw/zinc/14/85/28/449148528.db2.gz SSYROQZMCXOKTP-NWDGAFQWSA-N 0 3 325.390 1.592 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000590589019 449205547 /nfs/dbraw/zinc/20/55/47/449205547.db2.gz LACINPXXVFORTN-DGCLKSJQSA-N 0 3 327.406 1.616 20 5 EDBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@H]3CCC4(CNC4)O3)CC2)c1 ZINC000595886745 449233582 /nfs/dbraw/zinc/23/35/82/449233582.db2.gz YNSTWNRHTOQWBM-MRXNPFEDSA-N 0 3 332.404 1.238 20 5 EDBDHN CN([C@@H](CN)C(F)(F)F)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595908090 449246552 /nfs/dbraw/zinc/24/65/52/449246552.db2.gz MSFXRPCZROTTHL-RYUDHWBXSA-N 0 3 346.309 1.522 20 5 EDBDHN NC(=O)c1cc(N2CCCN(C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000596075352 449351359 /nfs/dbraw/zinc/35/13/59/449351359.db2.gz MPRRZKLYCCQOAH-CQSZACIVSA-N 0 3 348.403 1.385 20 5 EDBDHN CCC[NH+]1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593539164 449333690 /nfs/dbraw/zinc/33/36/90/449333690.db2.gz UNINLQJBVHSVGR-UHFFFAOYSA-N 0 3 342.421 1.390 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596195564 449407926 /nfs/dbraw/zinc/40/79/26/449407926.db2.gz FNZWYSQRZLFFGT-LBPRGKRZSA-N 0 3 335.408 1.132 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596195540 449408005 /nfs/dbraw/zinc/40/80/05/449408005.db2.gz FNZWYSQRZLFFGT-GFCCVEGCSA-N 0 3 335.408 1.132 20 5 EDBDHN CCCN1CCC(N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000594244316 449408163 /nfs/dbraw/zinc/40/81/63/449408163.db2.gz NUKYOUXOSBIHDE-UHFFFAOYSA-N 0 3 335.408 1.978 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594325063 449450019 /nfs/dbraw/zinc/45/00/19/449450019.db2.gz AUIOCRJUQFMTIG-GJZGRUSLSA-N 0 3 346.387 1.666 20 5 EDBDHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000600662879 449479800 /nfs/dbraw/zinc/47/98/00/449479800.db2.gz RFGMUNAEHXURKE-WCFLWFBJSA-N 0 3 337.380 1.032 20 5 EDBDHN CC(C)c1ccc(CNCc2nc(C[NH3+])cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000600773449 449542068 /nfs/dbraw/zinc/54/20/68/449542068.db2.gz ICWVSXLWSXNJBW-UHFFFAOYSA-N 0 3 331.376 1.962 20 5 EDBDHN COC(=O)COc1ccc(CN(C[C@@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594614395 449595682 /nfs/dbraw/zinc/59/56/82/449595682.db2.gz GLHFFJLVCSSLRJ-LLVKDONJSA-N 0 3 338.360 1.492 20 5 EDBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594769332 449681868 /nfs/dbraw/zinc/68/18/68/449681868.db2.gz UXNTXDLNCFIOAW-UHFFFAOYSA-N 0 3 344.437 1.732 20 5 EDBDHN CN1CCN(CC2CN(c3ccc4cnccc4c3[N+](=O)[O-])C2)CC1 ZINC000599105437 449736844 /nfs/dbraw/zinc/73/68/44/449736844.db2.gz CLTMRUQUPHQPNT-UHFFFAOYSA-N 0 3 341.415 1.827 20 5 EDBDHN NC(=O)c1ccnc(NC[C@@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000599128373 449751235 /nfs/dbraw/zinc/75/12/35/449751235.db2.gz YUIKZCRREZHKRZ-LBPRGKRZSA-N 0 3 333.392 1.908 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000602812334 449826784 /nfs/dbraw/zinc/82/67/84/449826784.db2.gz OVLAPLNFSQHDQW-KRWDZBQOSA-N 0 3 341.371 1.696 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([NH3+])CCCC2)c1C ZINC000595119807 449879857 /nfs/dbraw/zinc/87/98/57/449879857.db2.gz IEEQJFKVHMQXLO-UHFFFAOYSA-N 0 3 327.406 1.761 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602933067 449933456 /nfs/dbraw/zinc/93/34/56/449933456.db2.gz CBUABFYKHBRPJZ-GOPGUHFVSA-N 0 3 331.372 1.949 20 5 EDBDHN CN(C)CCn1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cn1 ZINC000608879535 449948608 /nfs/dbraw/zinc/94/86/08/449948608.db2.gz WSZVJJSXMINUHM-UHFFFAOYSA-N 0 3 347.331 1.334 20 5 EDBDHN CS[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1N1CCCC1 ZINC000614978254 449901718 /nfs/dbraw/zinc/90/17/18/449901718.db2.gz RBCQWAZTQJOWTE-VXGBXAGGSA-N 0 3 348.432 1.654 20 5 EDBDHN CNc1c(C(=O)N2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000613225118 450089262 /nfs/dbraw/zinc/08/92/62/450089262.db2.gz WOCNFTYKRSDNGA-UHFFFAOYSA-N 0 3 341.371 1.994 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597586035 450128687 /nfs/dbraw/zinc/12/86/87/450128687.db2.gz KGUHFNDSNAOCPQ-MRXNPFEDSA-N 0 3 339.367 1.192 20 5 EDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000610264722 450175082 /nfs/dbraw/zinc/17/50/82/450175082.db2.gz MJLGODPNAMYBEY-VXGBXAGGSA-N 0 3 342.421 1.483 20 5 EDBDHN CNc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000597697750 450205396 /nfs/dbraw/zinc/20/53/96/450205396.db2.gz ZWFVNOGGFDYVSM-GOEBONIOSA-N 0 3 348.403 1.572 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)c1 ZINC000603314172 450238262 /nfs/dbraw/zinc/23/82/62/450238262.db2.gz OPRNNRQJPAEBJN-CHWSQXEVSA-N 0 3 341.433 1.973 20 5 EDBDHN CCCCN(C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619483307 450486107 /nfs/dbraw/zinc/48/61/07/450486107.db2.gz LVYXBLIQDWASDW-UHFFFAOYSA-N 0 3 345.421 1.614 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CC[C@H](C)C1 ZINC000610399658 491191951 /nfs/dbraw/zinc/19/19/51/491191951.db2.gz XCHHVHWBFSMBOR-STQMWFEESA-N 0 3 348.403 1.171 20 5 EDBDHN CCNC(=O)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000339319411 535408460 /nfs/dbraw/zinc/40/84/60/535408460.db2.gz GAPXSHYDHWXHPA-IUODEOHRSA-N 0 3 339.392 1.085 20 5 EDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN(C)C1CC1 ZINC000345772552 535809332 /nfs/dbraw/zinc/80/93/32/535809332.db2.gz HFVGFOQSAHXTKK-GFCCVEGCSA-N 0 3 338.412 1.038 20 5 EDBDHN CN(C)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264998869 535966362 /nfs/dbraw/zinc/96/63/62/535966362.db2.gz UXGWZTNYPDQJAF-LLVKDONJSA-N 0 3 327.406 1.386 20 5 EDBDHN COc1ccc(F)cc1[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000271656066 536633705 /nfs/dbraw/zinc/63/37/05/536633705.db2.gz JYFZVTDUJDJKGC-MFKMUULPSA-N 0 3 338.339 1.651 20 5 EDBDHN C[C@H]1C[C@H](C)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000740881573 579388016 /nfs/dbraw/zinc/38/80/16/579388016.db2.gz BVPWEYLRUVZAKS-GJZGRUSLSA-N 0 3 346.431 1.974 20 5 EDBDHN CN1CCC2(CCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000742183027 579438439 /nfs/dbraw/zinc/43/84/39/579438439.db2.gz ALGVHNOCRYTMBN-UHFFFAOYSA-N 0 3 329.360 1.781 20 5 EDBDHN CCS(=O)(=O)CCNCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000743257247 579474069 /nfs/dbraw/zinc/47/40/69/579474069.db2.gz WYMKSKCAIVJQBJ-UHFFFAOYSA-N 0 3 346.405 1.179 20 5 EDBDHN Cc1cc(F)cc(C(=O)NCC2(O)CCN(C)CC2)c1[N+](=O)[O-] ZINC000758503737 579984370 /nfs/dbraw/zinc/98/43/70/579984370.db2.gz HIPCYJOSXYETQV-UHFFFAOYSA-N 0 3 325.340 1.229 20 5 EDBDHN O=C(CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000776312106 580414695 /nfs/dbraw/zinc/41/46/95/580414695.db2.gz LSNRQCMSUXWDEB-UHFFFAOYSA-N 0 3 348.403 1.012 20 5 EDBDHN CN1CCC[C@H](N2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000776591110 580422954 /nfs/dbraw/zinc/42/29/54/580422954.db2.gz ATNROOZTTGRTNE-ZWKOTPCHSA-N 0 3 348.447 1.340 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCN1C ZINC000778290129 580461008 /nfs/dbraw/zinc/46/10/08/580461008.db2.gz RVMLZMVZTHWLCT-WPRPVWTQSA-N 0 3 335.389 1.812 20 5 EDBDHN CN1CCC(O)(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778299195 580461280 /nfs/dbraw/zinc/46/12/80/580461280.db2.gz VWMARUOZIFVEQG-UHFFFAOYSA-N 0 3 343.330 1.260 20 5 EDBDHN CC(C)N1CCO[C@H](C(=N)NOCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000779649665 580492827 /nfs/dbraw/zinc/49/28/27/580492827.db2.gz KDMZOCQOMGKBMJ-AWEZNQCLSA-N 0 3 340.355 1.842 20 5 EDBDHN C[C@@H]1CCCN1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000780866559 580535847 /nfs/dbraw/zinc/53/58/47/580535847.db2.gz RMDUZVBOCLXJCP-CYBMUJFWSA-N 0 3 341.433 1.541 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781611072 580553281 /nfs/dbraw/zinc/55/32/81/580553281.db2.gz WYCCFCZMMOUTRK-ZDUSSCGKSA-N 0 3 336.348 1.646 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1F ZINC000897219252 591773459 /nfs/dbraw/zinc/77/34/59/591773459.db2.gz JXOGDRFJRJVHJA-KGLIPLIRSA-N 0 3 339.367 1.262 20 5 EDBDHN COCC[C@H]1CNCCN1c1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000900437492 592018163 /nfs/dbraw/zinc/01/81/63/592018163.db2.gz YTLNPHFBBDBYTR-LBPRGKRZSA-N 0 3 346.387 1.966 20 5 EDBDHN CCN1CCC(NC(=O)COc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC000902697398 592044362 /nfs/dbraw/zinc/04/43/62/592044362.db2.gz XMNDTSQKMJZNHN-UHFFFAOYSA-N 0 3 343.330 1.852 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908573491 592544713 /nfs/dbraw/zinc/54/47/13/592544713.db2.gz MOJYRWJMRBVTGD-UHFFFAOYSA-N 0 3 335.408 1.577 20 5 EDBDHN CN(C)[C@@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906548031 592848495 /nfs/dbraw/zinc/84/84/95/592848495.db2.gz MEMYOJCVXWGGME-LLVKDONJSA-N 0 3 335.360 1.532 20 5 EDBDHN CC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736568991 593018304 /nfs/dbraw/zinc/01/83/04/593018304.db2.gz GYKFCBRIYLLPJE-JTQLQIEISA-N 0 3 332.368 1.456 20 5 EDBDHN CC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736568991 593018308 /nfs/dbraw/zinc/01/83/08/593018308.db2.gz GYKFCBRIYLLPJE-JTQLQIEISA-N 0 3 332.368 1.456 20 5 EDBDHN CC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736568991 593018310 /nfs/dbraw/zinc/01/83/10/593018310.db2.gz GYKFCBRIYLLPJE-JTQLQIEISA-N 0 3 332.368 1.456 20 5 EDBDHN CC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736568991 593018313 /nfs/dbraw/zinc/01/83/13/593018313.db2.gz GYKFCBRIYLLPJE-JTQLQIEISA-N 0 3 332.368 1.456 20 5 EDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc(OC)cc1[N+](=O)[O-] ZINC000810032685 593376755 /nfs/dbraw/zinc/37/67/55/593376755.db2.gz DWNGRBORGCYNHN-UHFFFAOYSA-N 0 3 332.378 1.654 20 5 EDBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)[N+](=O)[O-] ZINC000813104264 593517667 /nfs/dbraw/zinc/51/76/67/593517667.db2.gz LBMBOSSNGJADCF-ZJUUUORDSA-N 0 3 326.736 1.901 20 5 EDBDHN CCCS(=O)(=O)Nc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813109071 593518114 /nfs/dbraw/zinc/51/81/14/593518114.db2.gz NZWJEBKYXQLLFC-SNVBAGLBSA-N 0 3 330.362 1.660 20 5 EDBDHN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114286 593518820 /nfs/dbraw/zinc/51/88/20/593518820.db2.gz ORTVJTHMJNJVBQ-NSHDSACASA-N 0 3 347.375 1.647 20 5 EDBDHN CC(COC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)[N+](=O)[O-] ZINC000813115160 593518828 /nfs/dbraw/zinc/51/88/28/593518828.db2.gz LLVIKYJSTNDQNA-IUCAKERBSA-N 0 3 328.271 1.526 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCN(c3ccccn3)C2)c1 ZINC000819189486 593743621 /nfs/dbraw/zinc/74/36/21/593743621.db2.gz HLANXCQRLJVSEH-GOEBONIOSA-N 0 3 328.372 1.892 20 5 EDBDHN CC(C)C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820091788 593790083 /nfs/dbraw/zinc/79/00/83/593790083.db2.gz AHXDFKINHCSNSC-LLVKDONJSA-N 0 3 346.395 1.560 20 5 EDBDHN CC(C)C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820091788 593790084 /nfs/dbraw/zinc/79/00/84/593790084.db2.gz AHXDFKINHCSNSC-LLVKDONJSA-N 0 3 346.395 1.560 20 5 EDBDHN CC(C)C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820091788 593790085 /nfs/dbraw/zinc/79/00/85/593790085.db2.gz AHXDFKINHCSNSC-LLVKDONJSA-N 0 3 346.395 1.560 20 5 EDBDHN CC(C)C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820091788 593790086 /nfs/dbraw/zinc/79/00/86/593790086.db2.gz AHXDFKINHCSNSC-LLVKDONJSA-N 0 3 346.395 1.560 20 5 EDBDHN CN1CCN(CC2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000820459256 593820219 /nfs/dbraw/zinc/82/02/19/593820219.db2.gz NLVWBDLQQRXTTC-QPJJXVBHSA-N 0 3 344.415 1.314 20 5 EDBDHN Nc1ccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000823921535 593888503 /nfs/dbraw/zinc/88/85/03/593888503.db2.gz XGLDPZBIIFKKKC-ZDUSSCGKSA-N 0 3 349.391 1.552 20 5 EDBDHN O=C(CN1C2CCC1CC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000822736954 594093066 /nfs/dbraw/zinc/09/30/66/594093066.db2.gz ZOVPTVBHDNFWOA-UHFFFAOYSA-N 0 3 344.415 1.870 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000823150114 594160905 /nfs/dbraw/zinc/16/09/05/594160905.db2.gz UHYFOSMKZYWMOV-UHFFFAOYSA-N 0 3 346.431 1.531 20 5 EDBDHN CN1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000831723190 594696238 /nfs/dbraw/zinc/69/62/38/594696238.db2.gz LFZVQJLNKVWPGM-YGRLFVJLSA-N 0 3 338.795 1.823 20 5 EDBDHN CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)CN(C)C ZINC000831731964 594697311 /nfs/dbraw/zinc/69/73/11/594697311.db2.gz YGPNSJXYOFIQAO-GFCCVEGCSA-N 0 3 346.387 1.840 20 5 EDBDHN CC(COC(=O)c1cc(F)c(N2CCOCC2)c(F)c1)[N+](=O)[O-] ZINC000835457674 594829977 /nfs/dbraw/zinc/82/99/77/594829977.db2.gz YNMHEETZPBTSKY-VIFPVBQESA-N 0 3 330.287 1.623 20 5 EDBDHN CC(COC(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1)[N+](=O)[O-] ZINC000835456970 594830089 /nfs/dbraw/zinc/83/00/89/594830089.db2.gz VHNSKIYVOHDBFR-AAEUAGOBSA-N 0 3 330.344 1.716 20 5 EDBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000842225943 595045115 /nfs/dbraw/zinc/04/51/15/595045115.db2.gz ROONOQQSMRFEFJ-UHFFFAOYSA-N 0 3 338.339 1.191 20 5 EDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000843779040 595184031 /nfs/dbraw/zinc/18/40/31/595184031.db2.gz NOWYSJBOPJMDGT-VXGBXAGGSA-N 0 3 337.351 1.635 20 5 EDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc(F)c(F)c1 ZINC000842802434 595203879 /nfs/dbraw/zinc/20/38/79/595203879.db2.gz YQLXUOIXCDDBRE-SSDOTTSWSA-N 0 3 326.259 1.676 20 5 EDBDHN Cc1cc(C(=O)N2CCOC3(CCN(C)CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000844096509 595271164 /nfs/dbraw/zinc/27/11/64/595271164.db2.gz JJQKLSQPAHRWAE-UHFFFAOYSA-N 0 3 348.403 1.422 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)CCO2 ZINC000844097854 595271870 /nfs/dbraw/zinc/27/18/70/595271870.db2.gz ZSLDLJDXATWBMJ-UHFFFAOYSA-N 0 3 334.376 1.114 20 5 EDBDHN C[C@@H]1C[NH2+]CC[C@H]1[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766766 595600737 /nfs/dbraw/zinc/60/07/37/595600737.db2.gz SCWGBIXQXJQGRM-BXKDBHETSA-N 0 3 329.303 1.681 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCC1SCCS1 ZINC000853118998 595671026 /nfs/dbraw/zinc/67/10/26/595671026.db2.gz BIELDHILLYHHDX-SNVBAGLBSA-N 0 3 330.431 1.730 20 5 EDBDHN O=C1N(CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCCN12 ZINC000853118832 595671115 /nfs/dbraw/zinc/67/11/15/595671115.db2.gz RWVXRKIWBYVLJD-HOTGVXAUSA-N 0 3 348.403 1.508 20 5 EDBDHN CCN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CCN(C)C1 ZINC000855359705 595684553 /nfs/dbraw/zinc/68/45/53/595684553.db2.gz AMKICFRYHSJIGE-MLGOLLRUSA-N 0 3 346.387 1.640 20 5 EDBDHN CC([C@@H](OC(=O)CCc1cn(C)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000851108315 595729734 /nfs/dbraw/zinc/72/97/34/595729734.db2.gz LPELHDSAIYSSPM-MEBBXXQBSA-N 0 3 336.323 1.837 20 5 EDBDHN CC(C)N(C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118123074 595930472 /nfs/dbraw/zinc/93/04/72/595930472.db2.gz CTEJOFXKHOFTRA-UHFFFAOYSA-N 0 3 342.783 1.643 20 5 EDBDHN CC1(N2CCOCC2)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000859775937 596194464 /nfs/dbraw/zinc/19/44/64/596194464.db2.gz MERDBHWDDDYUOV-QGZVFWFLSA-N 0 3 349.431 1.815 20 5 EDBDHN O=C1OC[C@@]2(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)COCCN12 ZINC000866522570 596240295 /nfs/dbraw/zinc/24/02/95/596240295.db2.gz WPJLPBMVBPULOT-DOTOQJQBSA-N 0 3 347.371 1.783 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H](C)[NH+](C)C)cc1F ZINC000867503646 596401802 /nfs/dbraw/zinc/40/18/02/596401802.db2.gz HJVDDRRKKZLAHH-SNVBAGLBSA-N 0 3 333.385 1.661 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000867847544 596584148 /nfs/dbraw/zinc/58/41/48/596584148.db2.gz CCGZZSBCDARKBX-MRXNPFEDSA-N 0 3 339.367 1.192 20 5 EDBDHN CN(C)CCN(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866310778 596853595 /nfs/dbraw/zinc/85/35/95/596853595.db2.gz PQHBVLMIUHRJLK-UHFFFAOYSA-N 0 3 344.209 1.920 20 5 EDBDHN CC(COC(=O)c1cc2ncc(Br)cn2n1)[N+](=O)[O-] ZINC000870377062 596856924 /nfs/dbraw/zinc/85/69/24/596856924.db2.gz OKUXJRNKJSWXHR-LURJTMIESA-N 0 3 329.110 1.314 20 5 EDBDHN COc1ccc([C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CCN2)cc1 ZINC000879520617 597615080 /nfs/dbraw/zinc/61/50/80/597615080.db2.gz GXKBIJPOEYURMF-HNNXBMFYSA-N 0 3 331.376 1.446 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878640006 597664100 /nfs/dbraw/zinc/66/41/00/597664100.db2.gz BSRUSUUHBGCGCX-FZMZJTMJSA-N 0 3 329.360 1.781 20 5 EDBDHN COC(=O)C1CCN(CCCNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881808717 597733048 /nfs/dbraw/zinc/73/30/48/597733048.db2.gz AFRNBGHLINIERD-UHFFFAOYSA-N 0 3 340.355 1.816 20 5 EDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000132368629 597834873 /nfs/dbraw/zinc/83/48/73/597834873.db2.gz GIYLVLZREZWBFQ-NSHDSACASA-N 0 3 345.396 1.662 20 5 EDBDHN CC(C)CC(=O)N1CCC(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997486262 703742660 /nfs/dbraw/zinc/74/26/60/703742660.db2.gz BBMLBBCAGNRFHK-UHFFFAOYSA-N 0 3 337.424 1.703 20 5 EDBDHN O=C(N[C@H]1CC[C@H](NCc2ncc(C3CC3)o2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034642858 710318680 /nfs/dbraw/zinc/31/86/80/710318680.db2.gz GZGKAFMPDCTHPR-AAVRWANBSA-N 0 3 348.403 1.734 20 5 EDBDHN CN(C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000128449001 282200702 /nfs/dbraw/zinc/20/07/02/282200702.db2.gz SLDOMDOGEHKEMP-CYBMUJFWSA-N 0 3 348.403 1.208 20 5 EDBDHN CNC(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000068372043 201163753 /nfs/dbraw/zinc/16/37/53/201163753.db2.gz AKQXUBZUPMPKGH-UHFFFAOYSA-N 0 3 348.403 1.690 20 5 EDBDHN NC(=O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128227232 205138312 /nfs/dbraw/zinc/13/83/12/205138312.db2.gz XAZLWSYAVGODEM-UHFFFAOYSA-N 0 3 338.339 1.260 20 5 EDBDHN O=C(CNC[C@H]1CCCO1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000237928580 139064035 /nfs/dbraw/zinc/06/40/35/139064035.db2.gz SSEPSDBHJJIDKF-MRXNPFEDSA-N 0 3 335.404 1.802 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000159113765 206226251 /nfs/dbraw/zinc/22/62/51/206226251.db2.gz YYMHMFPYHOSSNI-MRXNPFEDSA-N 0 3 332.360 1.185 20 5 EDBDHN COC(=O)CC1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000567995478 306469074 /nfs/dbraw/zinc/46/90/74/306469074.db2.gz LXIKAYIARGBZNP-UHFFFAOYSA-N 0 3 335.360 1.917 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249199646 139189040 /nfs/dbraw/zinc/18/90/40/139189040.db2.gz QRPFDAJFKRXXBK-AAEUAGOBSA-N 0 3 348.403 1.783 20 5 EDBDHN Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376562005 291726161 /nfs/dbraw/zinc/72/61/61/291726161.db2.gz KRJZXCYXJVWHAL-WCQYABFASA-N 0 3 334.376 1.703 20 5 EDBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1ccc([N+](=O)[O-])s1 ZINC000261873883 139233135 /nfs/dbraw/zinc/23/31/35/139233135.db2.gz LSJSPRHFKJVMBY-UHFFFAOYSA-N 0 3 333.373 1.713 20 5 EDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000416305991 251063562 /nfs/dbraw/zinc/06/35/62/251063562.db2.gz DPYPSTXHDIHNNL-UHFFFAOYSA-N 0 3 339.417 1.503 20 5 EDBDHN Cc1c(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000424222263 252168948 /nfs/dbraw/zinc/16/89/48/252168948.db2.gz DSFDMXJMYLKUFV-LSDHHAIUSA-N 0 3 343.387 1.133 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425808450 252311108 /nfs/dbraw/zinc/31/11/08/252311108.db2.gz HKPCYSMUQVFTRW-SWLSCSKDSA-N 0 3 346.387 1.394 20 5 EDBDHN NC(=O)NC(=O)OCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000494487407 255252596 /nfs/dbraw/zinc/25/25/96/255252596.db2.gz UPDJWZXVJCHBTR-UHFFFAOYSA-N 0 3 336.348 1.754 20 5 EDBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000264292328 139394305 /nfs/dbraw/zinc/39/43/05/139394305.db2.gz XFRAEHGEIHWEAX-UHFFFAOYSA-N 0 3 349.366 1.969 20 5 EDBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000264292328 139394306 /nfs/dbraw/zinc/39/43/06/139394306.db2.gz XFRAEHGEIHWEAX-UHFFFAOYSA-N 0 3 349.366 1.969 20 5 EDBDHN CCC(CC)Nc1ccncc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000571177840 306559967 /nfs/dbraw/zinc/55/99/67/306559967.db2.gz RQDTUSBASXAKTA-UHFFFAOYSA-N 0 3 332.364 1.998 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000270878459 140188691 /nfs/dbraw/zinc/18/86/91/140188691.db2.gz KYAIMNXEZTYANR-GXTWGEPZSA-N 0 3 343.387 1.958 20 5 EDBDHN C[C@]1(CO)CCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331634568 141059824 /nfs/dbraw/zinc/05/98/24/141059824.db2.gz IXCHZCJNKCDVLI-NVXWUHKLSA-N 0 3 333.388 1.625 20 5 EDBDHN Cc1cnc(N[C@H](CC(C)C)C(=O)NCCN(C)C)c([N+](=O)[O-])c1 ZINC000340081064 142259924 /nfs/dbraw/zinc/25/99/24/142259924.db2.gz ZYCZVRZDHDKXMV-CYBMUJFWSA-N 0 3 337.424 1.803 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[NH+]2CCCC2)c(F)c1 ZINC000340163484 142288551 /nfs/dbraw/zinc/28/85/51/142288551.db2.gz BDZCTYFMOQQPKA-UHFFFAOYSA-N 0 3 331.369 1.498 20 5 EDBDHN CN1C(=O)N[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000345668347 143118949 /nfs/dbraw/zinc/11/89/49/143118949.db2.gz SNMNBCORQZWEIU-KGLIPLIRSA-N 0 3 347.375 1.021 20 5 EDBDHN CC(C)N1C(=O)NC2CN(C(=O)c3csc([N+](=O)[O-])c3)CCC21 ZINC000347013603 143271610 /nfs/dbraw/zinc/27/16/10/143271610.db2.gz GTJQMRPDSDNOAL-GHMZBOCLSA-N 0 3 338.389 1.673 20 5 EDBDHN O=C([C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)N1CCNCC1 ZINC000347022966 143272749 /nfs/dbraw/zinc/27/27/49/143272749.db2.gz OTIYOVOUZYRHDA-HNNXBMFYSA-N 0 3 332.404 1.239 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000416507569 304326425 /nfs/dbraw/zinc/32/64/25/304326425.db2.gz LCLUVESZNPHNRZ-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000369824685 155192168 /nfs/dbraw/zinc/19/21/68/155192168.db2.gz CTACZGAWFIXKKF-RDJZCZTQSA-N 0 3 346.387 1.696 20 5 EDBDHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)Cc1ccccc1 ZINC000340470032 149052380 /nfs/dbraw/zinc/05/23/80/149052380.db2.gz MIDYGRJONNRZBK-CQSZACIVSA-N 0 3 330.388 1.836 20 5 EDBDHN NC(C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000352949775 149225816 /nfs/dbraw/zinc/22/58/16/149225816.db2.gz VSHAVNLXHYUYSS-GFCCVEGCSA-N 0 3 347.293 1.854 20 5 EDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@@H]2n2cc(CO)nn2)cc1 ZINC000353196293 149321109 /nfs/dbraw/zinc/32/11/09/149321109.db2.gz XDSGSICJSPYEMR-HOTGVXAUSA-N 0 3 331.376 1.952 20 5 EDBDHN COc1cc(OCC(=O)N[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000357384611 151014651 /nfs/dbraw/zinc/01/46/51/151014651.db2.gz FLPZGFYDWYYIJC-NEPJUHHUSA-N 0 3 337.376 1.581 20 5 EDBDHN Cc1ccc([C@@H](C)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000358036220 151242223 /nfs/dbraw/zinc/24/22/23/151242223.db2.gz KRRDKZDCSUEJMK-OCCSQVGLSA-N 0 3 341.433 1.978 20 5 EDBDHN C[C@H](NC(=O)N[C@@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000417137848 304376713 /nfs/dbraw/zinc/37/67/13/304376713.db2.gz NFBLFXHFBHCOLP-JOYOIKCWSA-N 0 3 328.319 1.952 20 5 EDBDHN Cc1c([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000360847045 152227924 /nfs/dbraw/zinc/22/79/24/152227924.db2.gz GPJSSPLHTOOWKF-DZGCQCFKSA-N 0 3 334.380 1.031 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000370202992 155374616 /nfs/dbraw/zinc/37/46/16/155374616.db2.gz YVEXGYCWOGTLSN-CQSZACIVSA-N 0 3 335.404 1.758 20 5 EDBDHN NC(=O)[C@@]1(O)CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000367491932 154146271 /nfs/dbraw/zinc/14/62/71/154146271.db2.gz BDMLRKBUYCLCRM-QGZVFWFLSA-N 0 3 345.355 1.667 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000089222700 287319508 /nfs/dbraw/zinc/31/95/08/287319508.db2.gz PTGIYRGFAHZVFT-UHFFFAOYSA-N 0 3 346.391 1.717 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000120716665 287364063 /nfs/dbraw/zinc/36/40/63/287364063.db2.gz WGLJCUYGTIASGO-OAHLLOKOSA-N 0 3 335.404 1.673 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000122789968 287383379 /nfs/dbraw/zinc/38/33/79/287383379.db2.gz SYZMHMGTPMWPNO-CQSZACIVSA-N 0 3 348.447 1.588 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-][C@](C)(C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000124460159 287398732 /nfs/dbraw/zinc/39/87/32/287398732.db2.gz UUGXCJQNQXVHLS-AWEZNQCLSA-N 0 3 329.422 1.945 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000122585610 222117760 /nfs/dbraw/zinc/11/77/60/222117760.db2.gz IYRSXQMESQFOQE-AWEZNQCLSA-N 0 3 343.387 1.723 20 5 EDBDHN COCCNCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418504323 304504817 /nfs/dbraw/zinc/50/48/17/304504817.db2.gz BGBCIIPFVQYYOY-UHFFFAOYSA-N 0 3 336.392 1.505 20 5 EDBDHN C[C@@H]1COCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000277452705 273199576 /nfs/dbraw/zinc/19/95/76/273199576.db2.gz MBANCSMSWSHCSX-BXUZGUMPSA-N 0 3 328.390 1.383 20 5 EDBDHN COC(=O)[C@]12CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1CCCC2 ZINC000284902901 274380228 /nfs/dbraw/zinc/38/02/28/274380228.db2.gz UVSMVZNHGBAZLJ-CXAGYDPISA-N 0 3 349.387 1.422 20 5 EDBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285033720 274430222 /nfs/dbraw/zinc/43/02/22/274430222.db2.gz GEVQXLXYKQNZAY-UHFFFAOYSA-N 0 3 345.403 1.955 20 5 EDBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000365495643 277979983 /nfs/dbraw/zinc/97/99/83/277979983.db2.gz SAHDLIWKHPEHKD-ZDUSSCGKSA-N 0 3 345.359 1.545 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NCc2c[nH]c3nccnc23)cc1 ZINC000290827404 288959762 /nfs/dbraw/zinc/95/97/62/288959762.db2.gz HODHABNCTDGMCR-HIFRSBDPSA-N 0 3 343.343 1.050 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000291957408 289225789 /nfs/dbraw/zinc/22/57/89/289225789.db2.gz NYOLHYRRIVFTAY-KRWDZBQOSA-N 0 3 348.403 1.841 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000294764729 303144497 /nfs/dbraw/zinc/14/44/97/303144497.db2.gz XLPLVCSNSAMMGR-KHGFPJFYSA-N 0 3 333.388 1.522 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C ZINC000295347178 303207686 /nfs/dbraw/zinc/20/76/86/303207686.db2.gz NWJQQMKIGWUYPQ-YHWZYXNKSA-N 0 3 339.417 1.807 20 5 EDBDHN C[C@@H]1[C@@H](O)CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000296242091 303304119 /nfs/dbraw/zinc/30/41/19/303304119.db2.gz NMQGVGHRSZSOBA-YGRLFVJLSA-N 0 3 325.340 1.908 20 5 EDBDHN Cc1nn(C)c(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)c1[N+](=O)[O-] ZINC000377736782 447328813 /nfs/dbraw/zinc/32/88/13/447328813.db2.gz CKGUMMLQKKYDEJ-MRVWCRGKSA-N 0 3 337.424 1.938 20 5 EDBDHN CCc1ccccc1[C@H](N)CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000423980532 304922207 /nfs/dbraw/zinc/92/22/07/304922207.db2.gz QGPRVRDQBFXPQM-OAHLLOKOSA-N 0 3 345.403 1.868 20 5 EDBDHN CN(CC(=O)N1C[C@H](N)Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000424076338 304927826 /nfs/dbraw/zinc/92/78/26/304927826.db2.gz NCTBXTHIHHFARZ-CQSZACIVSA-N 0 3 340.383 1.948 20 5 EDBDHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000434503188 305123701 /nfs/dbraw/zinc/12/37/01/305123701.db2.gz HBUAPKHGUDTALR-HNNXBMFYSA-N 0 3 344.419 1.677 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-]C[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000440858954 305213642 /nfs/dbraw/zinc/21/36/42/305213642.db2.gz MDMBFYVVURQSDE-AWEZNQCLSA-N 0 3 327.406 1.571 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451293737 305336890 /nfs/dbraw/zinc/33/68/90/305336890.db2.gz BLFQURLQBUCQFI-DAXOMENPSA-N 0 3 336.388 1.965 20 5 EDBDHN O=C(CN[C@@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000451613404 305356313 /nfs/dbraw/zinc/35/63/13/305356313.db2.gz QQNHAMFEKMOUMO-SUMWQHHRSA-N 0 3 333.388 1.920 20 5 EDBDHN COC[C@@]1(CO)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451921952 305372641 /nfs/dbraw/zinc/37/26/41/305372641.db2.gz DGSSQYBYRRKQSQ-INIZCTEOSA-N 0 3 340.376 1.313 20 5 EDBDHN CC(C)(CN1CCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000452094227 305382407 /nfs/dbraw/zinc/38/24/07/305382407.db2.gz YXARDLZQQVNWTI-UHFFFAOYSA-N 0 3 341.433 1.889 20 5 EDBDHN Cc1c(NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000415422064 447420913 /nfs/dbraw/zinc/42/09/13/447420913.db2.gz DIJLCTOUZOGOKL-AWEZNQCLSA-N 0 3 348.403 1.866 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000046036531 441072604 /nfs/dbraw/zinc/07/26/04/441072604.db2.gz OOXKSCDKSYGYCI-GXTWGEPZSA-N 0 3 339.417 1.808 20 5 EDBDHN CCN1CCC(NC(=O)CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046599092 441115363 /nfs/dbraw/zinc/11/53/63/441115363.db2.gz FUTJAHFWOPJZCO-UHFFFAOYSA-N 0 3 334.420 1.627 20 5 EDBDHN C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057711920 441130390 /nfs/dbraw/zinc/13/03/90/441130390.db2.gz PEBWUJHWSXZBPF-GFCCVEGCSA-N 0 3 343.387 1.993 20 5 EDBDHN NS(=O)(=O)c1cc(NC2CCN(C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000080147876 441145352 /nfs/dbraw/zinc/14/53/52/441145352.db2.gz KRPSFEYKDSXXEF-UHFFFAOYSA-N 0 3 340.405 1.281 20 5 EDBDHN CN(C)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000102216707 441167087 /nfs/dbraw/zinc/16/70/87/441167087.db2.gz BEMMSSAJVVOLQC-OAHLLOKOSA-N 0 3 345.403 1.946 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000060113403 441233324 /nfs/dbraw/zinc/23/33/24/441233324.db2.gz PJODGHJOOABSCC-AWEZNQCLSA-N 0 3 339.417 1.844 20 5 EDBDHN O=[N+]([O-])c1cc(CN2CCC(c3nc[nH]n3)CC2)c2c(c1)COCO2 ZINC000083446387 441362107 /nfs/dbraw/zinc/36/21/07/441362107.db2.gz LRJQWQVYFYRTRF-UHFFFAOYSA-N 0 3 345.359 1.959 20 5 EDBDHN CCCN1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000114190360 441640566 /nfs/dbraw/zinc/64/05/66/441640566.db2.gz JDRXZNYWHVXWIY-UHFFFAOYSA-N 0 3 346.431 1.902 20 5 EDBDHN CCC(CC)C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000123264518 441881568 /nfs/dbraw/zinc/88/15/68/441881568.db2.gz RJGMBKWTPZTMPP-UHFFFAOYSA-N 0 3 329.422 1.899 20 5 EDBDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174857059 441975311 /nfs/dbraw/zinc/97/53/11/441975311.db2.gz YBQXDGMELAEPHA-LLVKDONJSA-N 0 3 327.385 1.636 20 5 EDBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCC1 ZINC000078484622 441935623 /nfs/dbraw/zinc/93/56/23/441935623.db2.gz GPLQMVNQEYXWOU-LLVKDONJSA-N 0 3 335.360 1.580 20 5 EDBDHN [NH3+][C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000125173279 441992707 /nfs/dbraw/zinc/99/27/07/441992707.db2.gz MEYNBRLDURUWKT-UWVGGRQHSA-N 0 3 333.797 1.796 20 5 EDBDHN COc1cc(C(=O)Nc2ccn(CCN(C)C)n2)ccc1[N+](=O)[O-] ZINC000119969645 441985531 /nfs/dbraw/zinc/98/55/31/441985531.db2.gz OFSKVGSNFLYKKP-UHFFFAOYSA-N 0 3 333.348 1.614 20 5 EDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C1CCOCC1 ZINC000151095212 442005343 /nfs/dbraw/zinc/00/53/43/442005343.db2.gz ONKLPJLLPMTJMY-KRWDZBQOSA-N 0 3 347.415 1.897 20 5 EDBDHN CCCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000175360150 442048900 /nfs/dbraw/zinc/04/89/00/442048900.db2.gz DWFCNCXLEWFMAW-UHFFFAOYSA-N 0 3 345.421 1.614 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@H](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000163028854 442139952 /nfs/dbraw/zinc/13/99/52/442139952.db2.gz OZNODOQFDLUOGM-NEPJUHHUSA-N 0 3 337.376 1.947 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000121144233 442182471 /nfs/dbraw/zinc/18/24/71/442182471.db2.gz GEZUVDILIACYIH-HZPDHXFCSA-N 0 3 348.403 1.247 20 5 EDBDHN CCC(=O)N[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000130620426 442351582 /nfs/dbraw/zinc/35/15/82/442351582.db2.gz GDPMTEZYRHOMRL-CYBMUJFWSA-N 0 3 348.403 1.914 20 5 EDBDHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000131106749 442364614 /nfs/dbraw/zinc/36/46/14/442364614.db2.gz MQOKWKMVGGFGHN-KBPBESRZSA-N 0 3 346.387 1.118 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](O)[C@@H](C)C1 ZINC000186868107 442623104 /nfs/dbraw/zinc/62/31/04/442623104.db2.gz XGVPARRIUVHVPK-FZMZJTMJSA-N 0 3 337.376 1.635 20 5 EDBDHN C[C@H](CO)N(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](C)O ZINC000248934066 442938890 /nfs/dbraw/zinc/93/88/90/442938890.db2.gz MWMMKVVMDXVHLD-OLZOCXBDSA-N 0 3 349.387 1.856 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000268303722 442939322 /nfs/dbraw/zinc/93/93/22/442939322.db2.gz XPRMJJHYIYOYOX-ONGXEEELSA-N 0 3 331.369 1.305 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC[C@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000194739580 442946052 /nfs/dbraw/zinc/94/60/52/442946052.db2.gz IVXTUSJIKLYRTC-CYBMUJFWSA-N 0 3 335.360 1.596 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268528994 443022686 /nfs/dbraw/zinc/02/26/86/443022686.db2.gz HRQFVWXWYQFTEB-INIZCTEOSA-N 0 3 329.404 1.998 20 5 EDBDHN COCCCN(C)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000266582141 443175286 /nfs/dbraw/zinc/17/52/86/443175286.db2.gz XFJYSGYUIKHSTM-UHFFFAOYSA-N 0 3 338.408 1.705 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000185627092 443229595 /nfs/dbraw/zinc/22/95/95/443229595.db2.gz YHGUZARJFJJNID-CQSZACIVSA-N 0 3 349.435 1.420 20 5 EDBDHN CCCNC(=O)CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000411372516 319180024 /nfs/dbraw/zinc/18/00/24/319180024.db2.gz DIIQFGTZZHLXEE-CYBMUJFWSA-N 0 3 335.408 1.782 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246150563 443273425 /nfs/dbraw/zinc/27/34/25/443273425.db2.gz KYZSLXUYQUAWLZ-DGCLKSJQSA-N 0 3 341.433 1.864 20 5 EDBDHN Cc1c(CC(=O)NC[C@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000269638172 443374186 /nfs/dbraw/zinc/37/41/86/443374186.db2.gz WSKIFRFHPCWCEN-MRXNPFEDSA-N 0 3 337.445 1.999 20 5 EDBDHN COc1ccc(NC(=O)CN[C@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000265108164 443535620 /nfs/dbraw/zinc/53/56/20/443535620.db2.gz YXBZZGWVZXEUGW-LLVKDONJSA-N 0 3 333.348 1.417 20 5 EDBDHN CC[C@H](O)[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265185916 443562652 /nfs/dbraw/zinc/56/26/52/443562652.db2.gz HNHHCBYPLYBDTO-PVAVHDDUSA-N 0 3 338.404 1.960 20 5 EDBDHN COCCN(C)CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272190624 443552675 /nfs/dbraw/zinc/55/26/75/443552675.db2.gz FHDWMJYWCADSTD-UHFFFAOYSA-N 0 3 339.348 1.022 20 5 EDBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448876261 320164168 /nfs/dbraw/zinc/16/41/68/320164168.db2.gz XFQGPIXACLZOQA-UHFFFAOYSA-N 0 3 347.375 1.089 20 5 EDBDHN CNc1nc(C(=O)NCCN2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000456052607 320305696 /nfs/dbraw/zinc/30/56/96/320305696.db2.gz ZJFDGZCYBOXQDC-UHFFFAOYSA-N 0 3 335.408 1.883 20 5 EDBDHN CCCc1n[n-]c(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000276282106 443681527 /nfs/dbraw/zinc/68/15/27/443681527.db2.gz NBGAYIOPXLMKKW-JTQLQIEISA-N 0 3 332.364 1.459 20 5 EDBDHN CCN(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298314222 443744551 /nfs/dbraw/zinc/74/45/51/443744551.db2.gz YTJZQKQVSIULJB-UHFFFAOYSA-N 0 3 328.756 1.255 20 5 EDBDHN CC(C)n1cc([C@@]2(O)CCN(CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000285090409 443852837 /nfs/dbraw/zinc/85/28/37/443852837.db2.gz YNHNXDPHPIYOLM-QGZVFWFLSA-N 0 3 345.403 1.903 20 5 EDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c1 ZINC000299050212 443938377 /nfs/dbraw/zinc/93/83/77/443938377.db2.gz GUBJHHLMGJEAFU-ZIAGYGMSSA-N 0 3 325.390 1.500 20 5 EDBDHN COCCOCCN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000288790679 443983270 /nfs/dbraw/zinc/98/32/70/443983270.db2.gz KBXSBNDYYZAGNW-UHFFFAOYSA-N 0 3 328.365 1.577 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000299269047 444002146 /nfs/dbraw/zinc/00/21/46/444002146.db2.gz MAMRZMUDNJTDLR-CYBMUJFWSA-N 0 3 348.403 1.703 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000299345789 444024125 /nfs/dbraw/zinc/02/41/25/444024125.db2.gz QQKGDICYWLOMQJ-CYBMUJFWSA-N 0 3 346.387 1.457 20 5 EDBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[n-]2)[NH+]2CCCC2)o1 ZINC000285549501 444024613 /nfs/dbraw/zinc/02/46/13/444024613.db2.gz IISYNYXDHOIJTA-GFCCVEGCSA-N 0 3 333.348 1.786 20 5 EDBDHN Cc1cnc(CCNC[C@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000562991532 321086083 /nfs/dbraw/zinc/08/60/83/321086083.db2.gz PZWBDURDZBEKPT-ZDUSSCGKSA-N 0 3 332.360 1.265 20 5 EDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)Cc2ccccc2C1 ZINC000285731638 444089026 /nfs/dbraw/zinc/08/90/26/444089026.db2.gz PXWPBZHOBALTAU-UHFFFAOYSA-N 0 3 329.360 1.147 20 5 EDBDHN COC(=O)COc1ccc(CN(C)[C@H]2C[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000567546143 321245459 /nfs/dbraw/zinc/24/54/59/321245459.db2.gz CILBJSXSTMNESU-BETUJISGSA-N 0 3 338.360 1.756 20 5 EDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cn1 ZINC000302441893 444213603 /nfs/dbraw/zinc/21/36/03/444213603.db2.gz NHBPWIBJQJEEHR-KRWDZBQOSA-N 0 3 343.387 1.458 20 5 EDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296402148 444227157 /nfs/dbraw/zinc/22/71/57/444227157.db2.gz KOGXGCBTVBJGJJ-ONGXEEELSA-N 0 3 330.410 1.155 20 5 EDBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319872411 444326306 /nfs/dbraw/zinc/32/63/06/444326306.db2.gz WNRADBVDEUVVBI-MWLCHTKSSA-N 0 3 331.369 1.447 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000298120955 444421715 /nfs/dbraw/zinc/42/17/15/444421715.db2.gz MVRZIYGPDKCSBM-UHFFFAOYSA-N 0 3 334.376 1.361 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc2c1CCNC2 ZINC000579702812 321962873 /nfs/dbraw/zinc/96/28/73/321962873.db2.gz IWOUPFNNHDRFJM-UHFFFAOYSA-N 0 3 328.328 1.041 20 5 EDBDHN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCNCC1 ZINC000580230418 322026008 /nfs/dbraw/zinc/02/60/08/322026008.db2.gz LILACBZVAPWIBW-UHFFFAOYSA-N 0 3 332.404 1.633 20 5 EDBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000580929623 322112620 /nfs/dbraw/zinc/11/26/20/322112620.db2.gz MIJMGAVGVZZDII-UHFFFAOYSA-N 0 3 343.387 1.755 20 5 EDBDHN C[C@H]1C[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000580979503 322119842 /nfs/dbraw/zinc/11/98/42/322119842.db2.gz JKZOGSSZXSFCMA-STQMWFEESA-N 0 3 342.417 1.773 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(O)CCS(=O)(=O)CC1 ZINC000581563376 322193404 /nfs/dbraw/zinc/19/34/04/322193404.db2.gz GULSZJOXKUQFNO-LBPRGKRZSA-N 0 3 342.417 1.494 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCN1C ZINC000332661552 444525558 /nfs/dbraw/zinc/52/55/58/444525558.db2.gz OAVRBFVVNZQUNJ-STQMWFEESA-N 0 3 343.387 1.993 20 5 EDBDHN C[C@@H](CN(C)C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000343809389 444605030 /nfs/dbraw/zinc/60/50/30/444605030.db2.gz RIHLWPQCTCEWAV-JTQLQIEISA-N 0 3 330.410 1.207 20 5 EDBDHN CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339054525 445011475 /nfs/dbraw/zinc/01/14/75/445011475.db2.gz QUGVQHKLCIDXPL-UHFFFAOYSA-N 0 3 336.436 1.758 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000337408252 445066557 /nfs/dbraw/zinc/06/65/57/445066557.db2.gz KHTMEQJHYHQULW-VXGBXAGGSA-N 0 3 335.360 1.807 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@]3(C2)CCCOC3)c1 ZINC000341981036 445106923 /nfs/dbraw/zinc/10/69/23/445106923.db2.gz DPBQYBCPYJGYKD-WBVHZDCISA-N 0 3 336.388 1.837 20 5 EDBDHN CN1CCN(CC2(C)CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC000330860732 445170897 /nfs/dbraw/zinc/17/08/97/445170897.db2.gz POQZYIVZBXOTAQ-UHFFFAOYSA-N 0 3 349.435 1.413 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000342109180 445175698 /nfs/dbraw/zinc/17/56/98/445175698.db2.gz HJDKDCMWRVHTBY-CQSZACIVSA-N 0 3 348.403 1.607 20 5 EDBDHN COCCN(CCN(C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362721521 445518122 /nfs/dbraw/zinc/51/81/22/445518122.db2.gz GWVJAKTTWAEEDW-UHFFFAOYSA-N 0 3 345.346 1.452 20 5 EDBDHN CN1CCC(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000362815070 445562971 /nfs/dbraw/zinc/56/29/71/445562971.db2.gz SOEWUFCZENSULT-AWEZNQCLSA-N 0 3 347.419 1.735 20 5 EDBDHN CN(C)CCN1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000363485130 445825702 /nfs/dbraw/zinc/82/57/02/445825702.db2.gz KURCRPLIVOTPDN-RMKNXTFCSA-N 0 3 346.431 1.704 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000363660915 445865818 /nfs/dbraw/zinc/86/58/18/445865818.db2.gz OWLDCTZVFPWBFC-MRXNPFEDSA-N 0 3 346.431 1.755 20 5 EDBDHN CN(C)CCN1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000372945233 445936985 /nfs/dbraw/zinc/93/69/85/445936985.db2.gz HLOWYENHQJTIEQ-UHFFFAOYSA-N 0 3 338.437 1.378 20 5 EDBDHN O=C1NC2(CCCC2)C(=O)N1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000359091430 445938904 /nfs/dbraw/zinc/93/89/04/445938904.db2.gz PMDLGFQIVXCDQL-UHFFFAOYSA-N 0 3 332.360 1.549 20 5 EDBDHN Cc1cc(OCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000369066610 445908566 /nfs/dbraw/zinc/90/85/66/445908566.db2.gz SGSXAAFZMWEPSP-HIFRSBDPSA-N 0 3 349.387 1.261 20 5 EDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCN([C@H]2CCOC2)CC1 ZINC000366200975 446080450 /nfs/dbraw/zinc/08/04/50/446080450.db2.gz ZMUSSVGLIZICKP-HNNXBMFYSA-N 0 3 349.387 1.343 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351594516 446190443 /nfs/dbraw/zinc/19/04/43/446190443.db2.gz CWECPCFCAORALK-UHFFFAOYSA-N 0 3 338.339 1.225 20 5 EDBDHN O=[N+]([O-])c1cccc(CNC[C@@]2(N3CCOCC3)CCCOC2)c1 ZINC000362216866 446267752 /nfs/dbraw/zinc/26/77/52/446267752.db2.gz GVWHTGTZCRYBEJ-KRWDZBQOSA-N 0 3 335.404 1.566 20 5 EDBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000362324501 446320127 /nfs/dbraw/zinc/32/01/27/446320127.db2.gz ZPIJIAGVQITVGW-CQSZACIVSA-N 0 3 335.408 1.117 20 5 EDBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)COc3ccccc3)CC2)n1 ZINC000365824752 446358443 /nfs/dbraw/zinc/35/84/43/446358443.db2.gz ZOPCGIIBPQOLRM-OAHLLOKOSA-N 0 3 346.387 1.868 20 5 EDBDHN CCc1noc([C@@]2(O)CCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366843631 446379563 /nfs/dbraw/zinc/37/95/63/446379563.db2.gz LVKPOCOAAAIAFC-MRXNPFEDSA-N 0 3 332.360 1.676 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420379098 446555375 /nfs/dbraw/zinc/55/53/75/446555375.db2.gz MNNSNINTAUCIKI-HNNXBMFYSA-N 0 3 346.391 1.491 20 5 EDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000411775151 446672314 /nfs/dbraw/zinc/67/23/14/446672314.db2.gz XCDXJUWDBGPJBN-HOTGVXAUSA-N 0 3 348.403 1.328 20 5 EDBDHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000371243181 446712002 /nfs/dbraw/zinc/71/20/02/446712002.db2.gz SIHVAQSSLSJWEO-CQSZACIVSA-N 0 3 343.387 1.960 20 5 EDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])cc1Br ZINC000368375057 446821925 /nfs/dbraw/zinc/82/19/25/446821925.db2.gz JFVNBLJVEHSCLL-YUMQZZPRSA-N 0 3 346.156 1.787 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@H]21 ZINC000371533676 446918749 /nfs/dbraw/zinc/91/87/49/446918749.db2.gz IVUKELBLPGBBJY-NOZJJQNGSA-N 0 3 347.400 1.766 20 5 EDBDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000443326310 447033691 /nfs/dbraw/zinc/03/36/91/447033691.db2.gz JYRAAHIYVVOLFZ-LNCBFAARSA-N 0 3 338.404 1.816 20 5 EDBDHN O=[N+]([O-])c1cc(CN2CC[C@H](c3nc[nH]n3)C2)c2c(c1)COCO2 ZINC000425348906 447123523 /nfs/dbraw/zinc/12/35/23/447123523.db2.gz CUDZRJHNYTWEAE-JTQLQIEISA-N 0 3 331.332 1.569 20 5 EDBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1NCCc2ccccc21 ZINC000375961347 447176424 /nfs/dbraw/zinc/17/64/24/447176424.db2.gz BCQDMZUPCMAZEV-KRWDZBQOSA-N 0 3 341.367 1.977 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](N2CCCC2)C1 ZINC000372616974 447185896 /nfs/dbraw/zinc/18/58/96/447185896.db2.gz HSVYOOOBABFCNZ-AWEZNQCLSA-N 0 3 348.403 1.712 20 5 EDBDHN Cc1cc(NC(=O)N2CCCN([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000372723742 447246366 /nfs/dbraw/zinc/24/63/66/447246366.db2.gz HVANIULWTGAWKB-ZDUSSCGKSA-N 0 3 336.392 1.824 20 5 EDBDHN O=C(Nc1ccccn1)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000372706141 447236298 /nfs/dbraw/zinc/23/62/98/447236298.db2.gz XCUYWZKVHGUQID-CYBMUJFWSA-N 0 3 344.375 1.537 20 5 EDBDHN CNc1nc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000456025211 447287091 /nfs/dbraw/zinc/28/70/91/447287091.db2.gz CEQVLNSXEXCCAO-MRXNPFEDSA-N 0 3 333.392 1.589 20 5 EDBDHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCCN3CCCO)cc2N1 ZINC000450597165 447534257 /nfs/dbraw/zinc/53/42/57/447534257.db2.gz OTFULVGJFXBQAW-ZDUSSCGKSA-N 0 3 348.403 1.738 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCN(C)C2)c1 ZINC000416498439 447626550 /nfs/dbraw/zinc/62/65/50/447626550.db2.gz XHKZAFFNAOUUGJ-GFCCVEGCSA-N 0 3 327.406 1.442 20 5 EDBDHN COc1ccc(CC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000530767262 447953269 /nfs/dbraw/zinc/95/32/69/447953269.db2.gz LTXZMILINYRVEB-DGCLKSJQSA-N 0 3 333.388 1.887 20 5 EDBDHN COc1ccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000525800301 448026751 /nfs/dbraw/zinc/02/67/51/448026751.db2.gz QJMLHFAXAIYSPF-KGLIPLIRSA-N 0 3 333.388 1.841 20 5 EDBDHN COC1(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000576578441 448088271 /nfs/dbraw/zinc/08/82/71/448088271.db2.gz UFNDNAOYHWRLJT-UHFFFAOYSA-N 0 3 342.417 1.917 20 5 EDBDHN COc1cc(OCC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000571394418 448144692 /nfs/dbraw/zinc/14/46/92/448144692.db2.gz SVXTZSVWMNJDMO-SMDDNHRTSA-N 0 3 335.360 1.145 20 5 EDBDHN CNc1nccc(C(=O)NCc2cccc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000561135425 448231486 /nfs/dbraw/zinc/23/14/86/448231486.db2.gz FAEIDAVJUDEFBH-UHFFFAOYSA-N 0 3 343.387 2.023 20 5 EDBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CNCCO2)cc1SC ZINC000577215705 448237575 /nfs/dbraw/zinc/23/75/75/448237575.db2.gz IWWUBVDQXWKPEL-SECBINFHSA-N 0 3 341.389 1.044 20 5 EDBDHN CCCN(CCN1CCCCC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000564585787 448333146 /nfs/dbraw/zinc/33/31/46/448333146.db2.gz NXNKHFQOBDDBKO-UHFFFAOYSA-N 0 3 335.408 1.910 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@]1(C)CO ZINC000493379636 448389185 /nfs/dbraw/zinc/38/91/85/448389185.db2.gz CRBUCCZUEHEALE-GDBMZVCRSA-N 0 3 337.376 1.683 20 5 EDBDHN CN(C)CCn1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000577884495 448412030 /nfs/dbraw/zinc/41/20/30/448412030.db2.gz OOHZBDHIXZBXID-UHFFFAOYSA-N 0 3 331.376 1.625 20 5 EDBDHN CCN1CC[C@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@@H]1C ZINC000566444172 448471979 /nfs/dbraw/zinc/47/19/79/448471979.db2.gz BHYTVBHBZYWTMM-RYUDHWBXSA-N 0 3 335.408 1.976 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000591734442 448476092 /nfs/dbraw/zinc/47/60/92/448476092.db2.gz YMXQMAQOZCSYJE-BRWVUGGUSA-N 0 3 346.387 1.662 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)c(C)cc1[N+](=O)[O-] ZINC000584362450 448499776 /nfs/dbraw/zinc/49/97/76/448499776.db2.gz ZRYOJXPHJOHMDE-VIFPVBQESA-N 0 3 337.348 1.472 20 5 EDBDHN CN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000518022510 448640778 /nfs/dbraw/zinc/64/07/78/448640778.db2.gz TXMFRFGBGKNMAK-UHFFFAOYSA-N 0 3 326.422 1.414 20 5 EDBDHN NC[C@@H]1c2ccccc2CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000574199482 448815398 /nfs/dbraw/zinc/81/53/98/448815398.db2.gz DNIGVVQGINQQFL-OAHLLOKOSA-N 0 3 344.375 1.059 20 5 EDBDHN Nc1cc(NC2CCN([C@H]3CCOC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588002773 448854558 /nfs/dbraw/zinc/85/45/58/448854558.db2.gz JSJNBSDLINGKLM-AWEZNQCLSA-N 0 3 336.392 1.335 20 5 EDBDHN COc1cc(CCNC[C@H](C)S(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000574402315 448866125 /nfs/dbraw/zinc/86/61/25/448866125.db2.gz WOFJATCTOPGVPX-JTQLQIEISA-N 0 3 346.405 1.177 20 5 EDBDHN CN1CCN(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1(C)C ZINC000588041965 448861799 /nfs/dbraw/zinc/86/17/99/448861799.db2.gz KRSLNZHUXWWJHZ-UHFFFAOYSA-N 0 3 337.424 1.107 20 5 EDBDHN CCO[C@H]1C[C@@](N)(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1(C)C ZINC000592562095 448901613 /nfs/dbraw/zinc/90/16/13/448901613.db2.gz CZUSUERAPLVCJW-WMLDXEAASA-N 0 3 348.403 1.407 20 5 EDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)CC1 ZINC000574808943 448960932 /nfs/dbraw/zinc/96/09/32/448960932.db2.gz VAWHFSOLDVHYEH-CQSZACIVSA-N 0 3 349.435 1.174 20 5 EDBDHN O=[N+]([O-])c1cc2c(cc1CNCCN1CCCOCC1)OCCO2 ZINC000589198227 448987691 /nfs/dbraw/zinc/98/76/91/448987691.db2.gz UPXAQKPGLFMLGA-UHFFFAOYSA-N 0 3 337.376 1.178 20 5 EDBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000569213789 448980951 /nfs/dbraw/zinc/98/09/51/448980951.db2.gz CRLHTBPBNXEPNV-ZDUSSCGKSA-N 0 3 340.767 1.474 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588861302 448941716 /nfs/dbraw/zinc/94/17/16/448941716.db2.gz PREJCIMCZAOBDD-CABCVRRESA-N 0 3 347.415 1.801 20 5 EDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)CN(C)C ZINC000588866516 448943534 /nfs/dbraw/zinc/94/35/34/448943534.db2.gz KREQTGXWDPKHAS-MNOVXSKESA-N 0 3 327.406 1.114 20 5 EDBDHN Cc1cccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592880960 449034471 /nfs/dbraw/zinc/03/44/71/449034471.db2.gz QMCIUWKTCHIDPQ-GFCCVEGCSA-N 0 3 334.376 1.095 20 5 EDBDHN CCn1cc(CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cn1 ZINC000593081361 449126316 /nfs/dbraw/zinc/12/63/16/449126316.db2.gz NBKOYYPHLSTKJT-HNNXBMFYSA-N 0 3 336.396 1.279 20 5 EDBDHN O=C1[C@H](N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595633833 449092171 /nfs/dbraw/zinc/09/21/71/449092171.db2.gz ATOSAHQUFSEMCL-DLTLXFJOSA-N 0 3 345.399 1.793 20 5 EDBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN(C)C ZINC000590369721 449139055 /nfs/dbraw/zinc/13/90/55/449139055.db2.gz LEYBVSNQIXXAEE-NSHDSACASA-N 0 3 341.433 1.748 20 5 EDBDHN Cc1c(NC(=O)N2CCN(CCN(C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593135871 449148694 /nfs/dbraw/zinc/14/86/94/449148694.db2.gz OFGJWKYWACWNPE-UHFFFAOYSA-N 0 3 349.391 1.141 20 5 EDBDHN COc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590403020 449149670 /nfs/dbraw/zinc/14/96/70/449149670.db2.gz WFTLWXTUJBDBRX-ZFWWWQNUSA-N 0 3 349.387 1.539 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)c1C ZINC000590590605 449206342 /nfs/dbraw/zinc/20/63/42/449206342.db2.gz ZRFLXFGRRGJTGF-TZMCWYRMSA-N 0 3 341.433 1.925 20 5 EDBDHN CO[C@@H]1COCC[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658930 449235271 /nfs/dbraw/zinc/23/52/71/449235271.db2.gz REWORNSTEURDAP-MEDUHNTESA-N 0 3 338.360 1.507 20 5 EDBDHN CN(C)CCn1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000604511272 449241217 /nfs/dbraw/zinc/24/12/17/449241217.db2.gz PWQNSNXIOGNAGH-UHFFFAOYSA-N 0 3 333.348 1.370 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611223177 449225517 /nfs/dbraw/zinc/22/55/17/449225517.db2.gz BNRDKPSSGWRTFH-NEPJUHHUSA-N 0 3 335.360 1.370 20 5 EDBDHN COc1cc(OCC(=O)Nc2nn(C)c(C)c2CN)ccc1[N+](=O)[O-] ZINC000595963066 449285834 /nfs/dbraw/zinc/28/58/34/449285834.db2.gz YVVANPLBUFRPAE-UHFFFAOYSA-N 0 3 349.347 1.122 20 5 EDBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000596053405 449337989 /nfs/dbraw/zinc/33/79/89/449337989.db2.gz ZTQKQRMTRRSKPA-SECBINFHSA-N 0 3 327.284 1.105 20 5 EDBDHN C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[C@H]1N1CCN(C)CC1 ZINC000596181118 449400931 /nfs/dbraw/zinc/40/09/31/449400931.db2.gz WVUQHKASCZUTFS-TZMCWYRMSA-N 0 3 334.424 1.034 20 5 EDBDHN CNc1nccc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000594282946 449428979 /nfs/dbraw/zinc/42/89/79/449428979.db2.gz WAXDPZAYEDDZRW-TXEJJXNPSA-N 0 3 335.408 2.024 20 5 EDBDHN CC(C)[NH+]1CCC(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000596168332 449393334 /nfs/dbraw/zinc/39/33/34/449393334.db2.gz PWZICDJGSODNTL-UHFFFAOYSA-N 0 3 349.435 1.690 20 5 EDBDHN COC(=O)c1ccnc(N2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000598628561 449506226 /nfs/dbraw/zinc/50/62/26/449506226.db2.gz PRXAVCKSMZPBDZ-NSHDSACASA-N 0 3 334.376 1.697 20 5 EDBDHN COC(=O)c1cc(-c2cnc(N3CCNCC3)nc2)cc([N+](=O)[O-])c1 ZINC000600845011 449572954 /nfs/dbraw/zinc/57/29/54/449572954.db2.gz FPJAAGHRGBLVND-UHFFFAOYSA-N 0 3 343.343 1.248 20 5 EDBDHN COc1cccc([N+](=O)[O-])c1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000594566616 449577274 /nfs/dbraw/zinc/57/72/74/449577274.db2.gz URENWKZDZLSSND-AWEZNQCLSA-N 0 3 348.403 1.522 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)[C@@H](C)CN1 ZINC000602485749 449626714 /nfs/dbraw/zinc/62/67/14/449626714.db2.gz RHXJOEUWXYTANN-MNOVXSKESA-N 0 3 347.350 1.742 20 5 EDBDHN CCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000598910273 449643266 /nfs/dbraw/zinc/64/32/66/449643266.db2.gz XCQULDBRUUGGDK-CQSZACIVSA-N 0 3 349.391 1.269 20 5 EDBDHN C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000599107130 449739518 /nfs/dbraw/zinc/73/95/18/449739518.db2.gz ZQVRZKXSCYLDLY-DTWKUNHWSA-N 0 3 333.797 1.667 20 5 EDBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594775265 449687735 /nfs/dbraw/zinc/68/77/35/449687735.db2.gz JDIWJMXDSDXFDP-NEPJUHHUSA-N 0 3 340.405 1.095 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000602834085 449844286 /nfs/dbraw/zinc/84/42/86/449844286.db2.gz ZPJMRAOLHXWHJP-CQSZACIVSA-N 0 3 335.408 1.336 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000602765442 449791516 /nfs/dbraw/zinc/79/15/16/449791516.db2.gz LRNOTKUPKCFFHD-CQSZACIVSA-N 0 3 335.408 1.338 20 5 EDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](N(C)C)[C@@H]1C ZINC000601422307 449940293 /nfs/dbraw/zinc/94/02/93/449940293.db2.gz PQTXEUKIEQCCET-QWRGUYRKSA-N 0 3 343.405 1.317 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601421922 449940446 /nfs/dbraw/zinc/94/04/46/449940446.db2.gz NAOGWBIYSPPDJZ-OLZOCXBDSA-N 0 3 341.433 1.925 20 5 EDBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000609163329 449972139 /nfs/dbraw/zinc/97/21/39/449972139.db2.gz CIUZTYZLVBBLSF-UHFFFAOYSA-N 0 3 345.359 1.467 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000603010670 450005278 /nfs/dbraw/zinc/00/52/78/450005278.db2.gz BXGSEXWWFGLZKS-KRWDZBQOSA-N 0 3 349.431 1.835 20 5 EDBDHN Cn1cc(N2CC[C@@H](NCCc3ccc([N+](=O)[O-])cc3)C2=O)cn1 ZINC000609543648 450047350 /nfs/dbraw/zinc/04/73/50/450047350.db2.gz FGJVDKAOJQNQOS-OAHLLOKOSA-N 0 3 329.360 1.266 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000597667114 450181348 /nfs/dbraw/zinc/18/13/48/450181348.db2.gz MARSBEIDFNSBJM-CYBMUJFWSA-N 0 3 348.403 1.560 20 5 EDBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597652622 450171801 /nfs/dbraw/zinc/17/18/01/450171801.db2.gz COEPUMKYPHHYHH-JTQLQIEISA-N 0 3 335.282 1.266 20 5 EDBDHN Cc1nccc([C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000610336013 450195164 /nfs/dbraw/zinc/19/51/64/450195164.db2.gz KAPHLRNGRANJBQ-ZFWWWQNUSA-N 0 3 346.391 1.130 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cnc[nH]1 ZINC000595594256 450252625 /nfs/dbraw/zinc/25/26/25/450252625.db2.gz JDIPKEGLZOKMQO-UHFFFAOYSA-N 0 3 333.348 1.787 20 5 EDBDHN CN1CCN(C(=O)CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000610805618 450341542 /nfs/dbraw/zinc/34/15/42/450341542.db2.gz BDUNBXXSEXNNSC-MRXNPFEDSA-N 0 3 346.431 1.280 20 5 EDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCCN1C ZINC000346140635 535809428 /nfs/dbraw/zinc/80/94/28/535809428.db2.gz UCUITRPLIPRVQN-NWDGAFQWSA-N 0 3 338.412 1.038 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000345879022 536363679 /nfs/dbraw/zinc/36/36/79/536363679.db2.gz HBFYWMFKJRYKLK-UTUOFQBUSA-N 0 3 334.376 1.426 20 5 EDBDHN COC(=O)c1cc(C(=O)NCCN2CCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000742241201 579444755 /nfs/dbraw/zinc/44/47/55/579444755.db2.gz TWUMQKWPQXRZLF-LLVKDONJSA-N 0 3 335.360 1.596 20 5 EDBDHN CCN1CCCC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732138448 578693226 /nfs/dbraw/zinc/69/32/26/578693226.db2.gz CMJDSWUGEOXWKK-HNNXBMFYSA-N 0 3 345.403 1.935 20 5 EDBDHN CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000732160375 578695195 /nfs/dbraw/zinc/69/51/95/578695195.db2.gz PCIQHEIYWXRYIG-HNNXBMFYSA-N 0 3 347.371 1.339 20 5 EDBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000733159346 578746089 /nfs/dbraw/zinc/74/60/89/578746089.db2.gz PAWAKKSLHAJJHU-AWEZNQCLSA-N 0 3 333.388 1.968 20 5 EDBDHN C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736292061 578974459 /nfs/dbraw/zinc/97/44/59/578974459.db2.gz HXOGKFZTCMWVJL-DGCLKSJQSA-N 0 3 343.391 1.838 20 5 EDBDHN C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736292061 578974460 /nfs/dbraw/zinc/97/44/60/578974460.db2.gz HXOGKFZTCMWVJL-DGCLKSJQSA-N 0 3 343.391 1.838 20 5 EDBDHN CN(CCCNC(=O)OC(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000747961279 579664617 /nfs/dbraw/zinc/66/46/17/579664617.db2.gz LDCWAMHMWXBFBZ-UHFFFAOYSA-N 0 3 327.385 1.638 20 5 EDBDHN O=[N+]([O-])c1c(N2CCCN(C[C@H]3CCCO3)CC2)nc2ccccn21 ZINC000748272232 579677880 /nfs/dbraw/zinc/67/78/80/579677880.db2.gz LUAWWHHKQIDHKR-CQSZACIVSA-N 0 3 345.403 1.934 20 5 EDBDHN COC[C@](C)(CC(=O)OC)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750108849 579752270 /nfs/dbraw/zinc/75/22/70/579752270.db2.gz WVQCRNKAPCCVRB-ZFWWWQNUSA-N 0 3 326.349 1.186 20 5 EDBDHN Cc1c(NC(=O)[C@@H](C)OC(=O)C2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000772520910 580314218 /nfs/dbraw/zinc/31/42/18/580314218.db2.gz QUMPUJXUSYISIM-MNOVXSKESA-N 0 3 349.343 1.252 20 5 EDBDHN O=C(CCN1CCc2ccccc2C1)OCCn1cc([N+](=O)[O-])cn1 ZINC000786817498 580680114 /nfs/dbraw/zinc/68/01/14/580680114.db2.gz PTTYFPPIEKAYOM-UHFFFAOYSA-N 0 3 344.371 1.783 20 5 EDBDHN COc1cnccc1N1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000794708142 580903953 /nfs/dbraw/zinc/90/39/53/580903953.db2.gz WYLMARIYINCCKJ-UHFFFAOYSA-N 0 3 346.391 1.591 20 5 EDBDHN COc1cc([N+](=O)[O-])cnc1N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000893048909 590636139 /nfs/dbraw/zinc/63/61/39/590636139.db2.gz VIGSNGOIMJJTAI-UKRRQHHQSA-N 0 3 349.435 1.461 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000892145493 590821437 /nfs/dbraw/zinc/82/14/37/590821437.db2.gz SJBZXPLJLQFCGG-STQMWFEESA-N 0 3 346.362 1.979 20 5 EDBDHN COc1ccc(CNC(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000892211682 590865270 /nfs/dbraw/zinc/86/52/70/590865270.db2.gz LBDYLTZEXRWARW-JSGCOSHPSA-N 0 3 334.376 1.449 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000892658846 591114073 /nfs/dbraw/zinc/11/40/73/591114073.db2.gz WZJAYCJJGPZUMU-INIZCTEOSA-N 0 3 331.376 1.377 20 5 EDBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1C(=O)NCC12CCOCC2 ZINC000895769695 591268981 /nfs/dbraw/zinc/26/89/81/591268981.db2.gz BPCFJUGFPPBRQY-BBRMVZONSA-N 0 3 347.415 1.801 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCN(C)C(C)(C)C2)c1C ZINC000897664893 591614002 /nfs/dbraw/zinc/61/40/02/591614002.db2.gz XXYALKGIAVRPGA-UHFFFAOYSA-N 0 3 348.447 1.967 20 5 EDBDHN C[C@@H]1CN(c2ccncc2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000899809476 591946465 /nfs/dbraw/zinc/94/64/65/591946465.db2.gz LXHYKYXJLSNZET-LLVKDONJSA-N 0 3 330.348 1.074 20 5 EDBDHN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813109271 593518022 /nfs/dbraw/zinc/51/80/22/593518022.db2.gz QSGNSBBFPDPXKN-NSHDSACASA-N 0 3 344.389 1.539 20 5 EDBDHN CCOc1cc(C(=O)OCC(C)[N+](=O)[O-])c([N+](=O)[O-])cc1OC ZINC000813106518 593518214 /nfs/dbraw/zinc/51/82/14/593518214.db2.gz CVGONNDFNGLTGW-MRVPVSSYSA-N 0 3 328.277 1.824 20 5 EDBDHN Nc1ccc([N+](=O)[O-])c(NCC(=O)NCCN2CCCCCC2)c1 ZINC000814261849 593580503 /nfs/dbraw/zinc/58/05/03/593580503.db2.gz HWOBQXOPMQCKMM-UHFFFAOYSA-N 0 3 335.408 1.581 20 5 EDBDHN O=C(NCCNC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000818963058 593730593 /nfs/dbraw/zinc/73/05/93/593730593.db2.gz DXHPYHHYLGXRAU-ZDUSSCGKSA-N 0 3 335.385 1.709 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nc(N3CCNCC3)no2)ccc1N1CCCC1 ZINC000823330814 594187161 /nfs/dbraw/zinc/18/71/61/594187161.db2.gz UYDNPGJHDYRNLJ-UHFFFAOYSA-N 0 3 344.375 1.655 20 5 EDBDHN CN(CCO)CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000829749292 594254079 /nfs/dbraw/zinc/25/40/79/594254079.db2.gz HGZFIDIZABAJIY-UHFFFAOYSA-N 0 3 329.784 1.221 20 5 EDBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000829562028 594640769 /nfs/dbraw/zinc/64/07/69/594640769.db2.gz YBTQPNYHRMTEFY-ZETCQYMHSA-N 0 3 333.753 1.156 20 5 EDBDHN CC(COC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000842364185 595086688 /nfs/dbraw/zinc/08/66/88/595086688.db2.gz SMVHVCHJRSSIHX-AAEUAGOBSA-N 0 3 338.335 1.425 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000843790661 595187113 /nfs/dbraw/zinc/18/71/13/595187113.db2.gz MWHVEQGGDVUCCY-UHFFFAOYSA-N 0 3 329.784 1.898 20 5 EDBDHN COc1cccc([C@@H](O)CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843067644 595279922 /nfs/dbraw/zinc/27/99/22/595279922.db2.gz GZVWLUUIAXPMDE-IRXDYDNUSA-N 0 3 332.356 1.960 20 5 EDBDHN Cc1ccccc1[C@@H](O)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843075621 595281876 /nfs/dbraw/zinc/28/18/76/595281876.db2.gz URXYKVGFRAVOIL-PBHICJAKSA-N 0 3 346.383 1.966 20 5 EDBDHN CN1CCN(CC2CN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000858610960 595843177 /nfs/dbraw/zinc/84/31/77/595843177.db2.gz LCTXYQUFMIQCPD-UHFFFAOYSA-N 0 3 326.347 1.557 20 5 EDBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000861342521 595949461 /nfs/dbraw/zinc/94/94/61/595949461.db2.gz CVOBFDVMBJZXRQ-DOMZBBRYSA-N 0 3 340.380 1.179 20 5 EDBDHN O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852434304 596159135 /nfs/dbraw/zinc/15/91/35/596159135.db2.gz FMVLCXSSGLQLPN-GFCCVEGCSA-N 0 3 348.359 1.450 20 5 EDBDHN Cc1c([C@@H](C)NC[C@@]23COC(=O)N2CCOC3)cccc1[N+](=O)[O-] ZINC000866523551 596241103 /nfs/dbraw/zinc/24/11/03/596241103.db2.gz FGUNOVNBORRFOT-MLGOLLRUSA-N 0 3 335.360 1.775 20 5 EDBDHN Cc1nn(CCC(=O)O[C@H](CN(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000870571237 596284310 /nfs/dbraw/zinc/28/43/10/596284310.db2.gz XTYQMCCDEIBSAX-CYBMUJFWSA-N 0 3 326.397 1.928 20 5 EDBDHN CN1CC[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000867815006 596566313 /nfs/dbraw/zinc/56/63/13/596566313.db2.gz WPVOAEVHGUVOEJ-HIFRSBDPSA-N 0 3 339.417 1.451 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869776739 596628064 /nfs/dbraw/zinc/62/80/64/596628064.db2.gz TUHBBFUWUGALKN-LBPRGKRZSA-N 0 3 339.367 1.238 20 5 EDBDHN CCc1nn(C)c(N2CCC(N3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000866212005 596829266 /nfs/dbraw/zinc/82/92/66/596829266.db2.gz HMYOYRDBXWHKMI-UHFFFAOYSA-N 0 3 336.440 1.107 20 5 EDBDHN COc1ccc(NC(=O)CN2CC[C@@H]3[C@H]2CCCN3C)c([N+](=O)[O-])c1 ZINC000880135025 597851798 /nfs/dbraw/zinc/85/17/98/597851798.db2.gz PZHUKLWDPBCDHM-HUUCEWRRSA-N 0 3 348.403 1.710 20 5 EDBDHN COc1ccc(NC(=O)CN2CC[C@H]3[C@@H]2CCCN3C)c([N+](=O)[O-])c1 ZINC000880135023 597851921 /nfs/dbraw/zinc/85/19/21/597851921.db2.gz PZHUKLWDPBCDHM-GJZGRUSLSA-N 0 3 348.403 1.710 20 5 EDBDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104067454 138299654 /nfs/dbraw/zinc/29/96/54/138299654.db2.gz OBKZROTVGQHMHZ-MRXNPFEDSA-N 0 3 332.404 1.509 20 5 EDBDHN Cc1nn(C)c(C(=O)N2CCC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000107630950 138304500 /nfs/dbraw/zinc/30/45/00/138304500.db2.gz JUYXZPLUODXMGW-CYBMUJFWSA-N 0 3 335.408 1.727 20 5 EDBDHN CN1CC[C@@H](Cn2nnnc2Sc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000131985905 138368994 /nfs/dbraw/zinc/36/89/94/138368994.db2.gz FKZLYXGAGWFUSR-SECBINFHSA-N 0 3 338.368 1.823 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(C2CC2)CC1 ZINC000041240548 201091394 /nfs/dbraw/zinc/09/13/94/201091394.db2.gz UJJDQOIWXUOXPM-UHFFFAOYSA-N 0 3 332.360 1.276 20 5 EDBDHN CCc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2N(C)C)cc1[N+](=O)[O-] ZINC000565833644 306392904 /nfs/dbraw/zinc/39/29/04/306392904.db2.gz NHLHXQZYYGEMBM-KBPBESRZSA-N 0 3 341.433 1.918 20 5 EDBDHN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000081266249 296095244 /nfs/dbraw/zinc/09/52/44/296095244.db2.gz JYMJWTDSYUOLRM-TZMCWYRMSA-N 0 3 348.403 1.182 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](N(C)C)C1 ZINC000109808490 204293475 /nfs/dbraw/zinc/29/34/75/204293475.db2.gz JYVKUXBEZWYEQQ-ZDUSSCGKSA-N 0 3 336.392 1.568 20 5 EDBDHN CN1CC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000109850245 204294875 /nfs/dbraw/zinc/29/48/75/204294875.db2.gz SWNSVKWRVJSBKK-GFCCVEGCSA-N 0 3 329.360 1.462 20 5 EDBDHN CC[C@@H](C)[C@H](N)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000195140022 139007685 /nfs/dbraw/zinc/00/76/85/139007685.db2.gz WXIQXUUIYRBDSY-BMIGLBTASA-N 0 3 339.392 1.644 20 5 EDBDHN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000236648081 139027590 /nfs/dbraw/zinc/02/75/90/139027590.db2.gz ANEFYPVHLXXBQK-UHFFFAOYSA-N 0 3 341.311 1.629 20 5 EDBDHN CCC1(CO)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000128159286 205135264 /nfs/dbraw/zinc/13/52/64/205135264.db2.gz JEBAVCYRXNDDFE-HNNXBMFYSA-N 0 3 338.404 1.819 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000132617972 205334979 /nfs/dbraw/zinc/33/49/79/205334979.db2.gz KYAIMNXEZTYANR-OCCSQVGLSA-N 0 3 343.387 1.958 20 5 EDBDHN CN(C)[C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245793773 139086289 /nfs/dbraw/zinc/08/62/89/139086289.db2.gz DHWLWIJLDHJWEP-CVEARBPZSA-N 0 3 332.404 1.726 20 5 EDBDHN CCN1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000158262042 206181972 /nfs/dbraw/zinc/18/19/72/206181972.db2.gz XUCYWSPWIPOSSS-UHFFFAOYSA-N 0 3 332.404 1.512 20 5 EDBDHN C[C@@H]1CN(C[C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000246099303 139094769 /nfs/dbraw/zinc/09/47/69/139094769.db2.gz ASHMCYWVGJUVAB-RBSFLKMASA-N 0 3 337.424 1.365 20 5 EDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246989606 139129906 /nfs/dbraw/zinc/12/99/06/139129906.db2.gz UZHOLVHXRKGFIZ-UONOGXRCSA-N 0 3 334.420 1.830 20 5 EDBDHN Cn1cccc1CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161825487 206372796 /nfs/dbraw/zinc/37/27/96/206372796.db2.gz MVFHPYPHRHEYLZ-UHFFFAOYSA-N 0 3 338.389 1.001 20 5 EDBDHN CC1(C)C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261749113 139222839 /nfs/dbraw/zinc/22/28/39/139222839.db2.gz PWYMJJFYFUBMMQ-LBPRGKRZSA-N 0 3 347.824 1.915 20 5 EDBDHN Cc1cccc(OCCN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000174695358 207047548 /nfs/dbraw/zinc/04/75/48/207047548.db2.gz OADHKGLWTDNOIO-HNNXBMFYSA-N 0 3 334.376 1.471 20 5 EDBDHN COc1ccc([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174706335 207047728 /nfs/dbraw/zinc/04/77/28/207047728.db2.gz NVJWNKXEFREBAE-DOTOQJQBSA-N 0 3 346.387 1.998 20 5 EDBDHN Cc1sc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424229354 252173228 /nfs/dbraw/zinc/17/32/28/252173228.db2.gz WZGYNXNHYMQHII-WDEREUQCSA-N 0 3 335.389 1.265 20 5 EDBDHN COC(=O)CN(C)C(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490052083 255077078 /nfs/dbraw/zinc/07/70/78/255077078.db2.gz YFSKIIMMKANXKN-UHFFFAOYSA-N 0 3 349.387 1.581 20 5 EDBDHN COCCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000490086262 255078800 /nfs/dbraw/zinc/07/88/00/255078800.db2.gz XJLKWGRRFHVHAI-HUUCEWRRSA-N 0 3 340.376 1.072 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491508899 255127247 /nfs/dbraw/zinc/12/72/47/255127247.db2.gz ZKBHBOONDANBCM-XVJNWHFHSA-N 0 3 333.388 1.835 20 5 EDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000495185125 255271630 /nfs/dbraw/zinc/27/16/30/255271630.db2.gz SJZFMMVBYKXKJM-GFCCVEGCSA-N 0 3 348.407 1.375 20 5 EDBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CNCCNC(=O)c1ccn[nH]1 ZINC000344792618 533408264 /nfs/dbraw/zinc/40/82/64/533408264.db2.gz KXFAEWLFJCXFTG-FMIVXFBMSA-N 0 3 329.360 1.741 20 5 EDBDHN CCCc1n[nH]c(C(=O)NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267115307 139583269 /nfs/dbraw/zinc/58/32/69/139583269.db2.gz OGEAUJKWNKPZRV-AWEZNQCLSA-N 0 3 341.437 1.438 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268481263 139787292 /nfs/dbraw/zinc/78/72/92/139787292.db2.gz LLXJLTKIEFPHBY-UHFFFAOYSA-N 0 3 335.408 1.289 20 5 EDBDHN CN1CCC(O)(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000270345337 140082873 /nfs/dbraw/zinc/08/28/73/140082873.db2.gz QKZHDFQHCOUELZ-UHFFFAOYSA-N 0 3 346.387 1.192 20 5 EDBDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331663285 141064095 /nfs/dbraw/zinc/06/40/95/141064095.db2.gz NXPCVSXEGFBGGX-STQMWFEESA-N 0 3 335.408 1.828 20 5 EDBDHN CCN1CC[C@H]2OCCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000339382998 142032615 /nfs/dbraw/zinc/03/26/15/142032615.db2.gz UEHKCABWXIOCEI-JKSUJKDBSA-N 0 3 345.403 1.766 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N(C)C1 ZINC000346697285 143233346 /nfs/dbraw/zinc/23/33/46/143233346.db2.gz BTQBUPBMTZLPHE-QWHCGFSZSA-N 0 3 346.387 1.867 20 5 EDBDHN C[C@H]1[C@H](N(C)CCO)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000347104141 143283181 /nfs/dbraw/zinc/28/31/81/143283181.db2.gz ZBMIRUWRHDXYSI-SMDDNHRTSA-N 0 3 347.371 1.868 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCOCCN(C)C ZINC000347165931 143290004 /nfs/dbraw/zinc/29/00/04/143290004.db2.gz AMNDXNLNPIALQI-UHFFFAOYSA-N 0 3 345.421 1.068 20 5 EDBDHN O=C(c1ccc2c(c1)CNC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000573088490 306611370 /nfs/dbraw/zinc/61/13/70/306611370.db2.gz RFXSPYPNSSOUJC-UHFFFAOYSA-N 0 3 341.371 1.872 20 5 EDBDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353376017 149384016 /nfs/dbraw/zinc/38/40/16/149384016.db2.gz CGRFTOIZUDPXKG-RYUDHWBXSA-N 0 3 336.392 1.768 20 5 EDBDHN COC(=O)COc1ccc(CN(C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000355733016 150379487 /nfs/dbraw/zinc/37/94/87/150379487.db2.gz SBYXZVYAHJKTBF-ZDUSSCGKSA-N 0 3 338.360 1.615 20 5 EDBDHN Cn1cc(C(=O)NC[C@@H]2CCCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357910758 151192649 /nfs/dbraw/zinc/19/26/49/151192649.db2.gz IGSIPXPNXCQQDX-AWEZNQCLSA-N 0 3 343.387 1.819 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)n1 ZINC000357950927 151208395 /nfs/dbraw/zinc/20/83/95/151208395.db2.gz LGJAIUYUKMNQIT-RKDXNWHRSA-N 0 3 331.336 1.234 20 5 EDBDHN O=[N+]([O-])c1ccn(Cc2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)n1 ZINC000357955293 151209411 /nfs/dbraw/zinc/20/94/11/151209411.db2.gz WXVZRTWARUEXRL-UWVGGRQHSA-N 0 3 331.336 1.078 20 5 EDBDHN CN(C)CCOCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358004549 151232077 /nfs/dbraw/zinc/23/20/77/151232077.db2.gz PBYFJAHDRLGDFP-UHFFFAOYSA-N 0 3 341.383 1.706 20 5 EDBDHN CCOCCOC[C@@H](O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000358018838 151237310 /nfs/dbraw/zinc/23/73/10/151237310.db2.gz QRIILDAWBCDTLU-AWEZNQCLSA-N 0 3 349.387 1.699 20 5 EDBDHN CN(C)[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000358414959 151367094 /nfs/dbraw/zinc/36/70/94/151367094.db2.gz QUQBOGFCULQOKQ-HNNXBMFYSA-N 0 3 341.408 1.830 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000361429960 152393563 /nfs/dbraw/zinc/39/35/63/152393563.db2.gz LLKFBJGAZZSGIU-INIZCTEOSA-N 0 3 346.431 1.755 20 5 EDBDHN CN1CCC[C@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)C1 ZINC000370154576 155351271 /nfs/dbraw/zinc/35/12/71/155351271.db2.gz ACMVTFDLMYGWDS-ZDUSSCGKSA-N 0 3 347.419 1.029 20 5 EDBDHN CN(C)CCN1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000363566247 153002610 /nfs/dbraw/zinc/00/26/10/153002610.db2.gz OOSOXJQNLYCRCW-UHFFFAOYSA-N 0 3 334.420 1.233 20 5 EDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363690475 153030758 /nfs/dbraw/zinc/03/07/58/153030758.db2.gz IGWLPHKELCVELK-AUPUMLSVSA-N 0 3 331.372 1.587 20 5 EDBDHN Cc1cc(C2=CCN(CCC(=O)NC(N)=O)CC2)cc([N+](=O)[O-])c1N ZINC000364361061 153216556 /nfs/dbraw/zinc/21/65/56/153216556.db2.gz KJBTWBQLXQIOBF-UHFFFAOYSA-N 0 3 347.375 1.160 20 5 EDBDHN NC(=O)[C@@]1(O)CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000367493729 154148216 /nfs/dbraw/zinc/14/82/16/154148216.db2.gz VLNNODMJNLLTQX-QGZVFWFLSA-N 0 3 345.355 1.667 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000367694052 154232121 /nfs/dbraw/zinc/23/21/21/154232121.db2.gz BAFOCCIWPUMKMP-GOEBONIOSA-N 0 3 332.404 1.873 20 5 EDBDHN O=[N+]([O-])c1cc(CNC[C@]2(N3CCOCC3)CCCOC2)cs1 ZINC000372006031 156206614 /nfs/dbraw/zinc/20/66/14/156206614.db2.gz GSYSUNDGEFWFAY-OAHLLOKOSA-N 0 3 341.433 1.627 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067612507 287246343 /nfs/dbraw/zinc/24/63/43/287246343.db2.gz GAEFEZOOILRAEZ-CQSZACIVSA-N 0 3 348.447 1.907 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCNCc1cccnc1 ZINC000237579968 273011019 /nfs/dbraw/zinc/01/10/19/273011019.db2.gz VORKFRBNVAUELB-UHFFFAOYSA-N 0 3 346.391 1.181 20 5 EDBDHN COC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000273308478 268021311 /nfs/dbraw/zinc/02/13/11/268021311.db2.gz TVWNLFVWGPYIEV-CQSZACIVSA-N 0 3 330.406 1.629 20 5 EDBDHN Cc1nn(CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000273328829 268026806 /nfs/dbraw/zinc/02/68/06/268026806.db2.gz IUBOOJIBEMTCSC-AWEZNQCLSA-N 0 3 331.376 1.519 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273477245 268048056 /nfs/dbraw/zinc/04/80/56/268048056.db2.gz PTJJLDSOFIUBRE-LBPRGKRZSA-N 0 3 340.355 1.702 20 5 EDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000277957633 273238438 /nfs/dbraw/zinc/23/84/38/273238438.db2.gz KDTODZOOMOWZEL-GFCCVEGCSA-N 0 3 341.795 1.959 20 5 EDBDHN C[C@H](O)C[C@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279809351 273328835 /nfs/dbraw/zinc/32/88/35/273328835.db2.gz PRWFPFNZLZQVGN-RRFJBIMHSA-N 0 3 338.404 1.960 20 5 EDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000284333854 274165004 /nfs/dbraw/zinc/16/50/04/274165004.db2.gz MMARKACOMDKPAT-OAHLLOKOSA-N 0 3 347.375 1.219 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000284377919 274181089 /nfs/dbraw/zinc/18/10/89/274181089.db2.gz FJUABELIAONCAR-YCPHGPKFSA-N 0 3 336.388 1.978 20 5 EDBDHN C[C@@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184799168 274261354 /nfs/dbraw/zinc/26/13/54/274261354.db2.gz AGMBKNXXVSUMJP-SWHYSGLUSA-N 0 3 334.376 1.556 20 5 EDBDHN C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000376446888 274363964 /nfs/dbraw/zinc/36/39/64/274363964.db2.gz DLPYBZKFZGIMOT-CYBMUJFWSA-N 0 3 333.436 1.782 20 5 EDBDHN O=C1[C@@H](N2CCN3CCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000171759440 275027751 /nfs/dbraw/zinc/02/77/51/275027751.db2.gz WIVHVFHFPCOHCC-CVEARBPZSA-N 0 3 330.388 1.480 20 5 EDBDHN CCOC(=O)c1ccnc(N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000080702357 276300525 /nfs/dbraw/zinc/30/05/25/276300525.db2.gz NFXAYAWCUIHYFH-NEPJUHHUSA-N 0 3 334.376 1.839 20 5 EDBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000109840199 276870030 /nfs/dbraw/zinc/87/00/30/276870030.db2.gz UNQOCJUSERSIKI-JTQLQIEISA-N 0 3 331.369 1.449 20 5 EDBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1Cc1ccccc1 ZINC000291963360 289227245 /nfs/dbraw/zinc/22/72/45/289227245.db2.gz WUSRPCZDYPRFMJ-DGCLKSJQSA-N 0 3 329.360 1.711 20 5 EDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346159009 297305016 /nfs/dbraw/zinc/30/50/16/297305016.db2.gz CYFAWZLKFGYJQI-GUTXKFCHSA-N 0 3 349.435 1.715 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000294915529 303154655 /nfs/dbraw/zinc/15/46/55/303154655.db2.gz IBXIMOHFYLANDI-UHFFFAOYSA-N 0 3 336.367 1.792 20 5 EDBDHN COc1ccc(CNC(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000298924207 303569945 /nfs/dbraw/zinc/56/99/45/303569945.db2.gz JUQJGAWZFXIVEY-UHFFFAOYSA-N 0 3 336.392 1.889 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000160025631 303801377 /nfs/dbraw/zinc/80/13/77/303801377.db2.gz RTHGKRNGDDPUEC-LBPRGKRZSA-N 0 3 341.795 1.825 20 5 EDBDHN NC[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000423827978 304910967 /nfs/dbraw/zinc/91/09/67/304910967.db2.gz PEKKRVHOYFJHSR-HNNXBMFYSA-N 0 3 326.356 1.617 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-]C[C@@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000430380734 305052046 /nfs/dbraw/zinc/05/20/46/305052046.db2.gz SDTPAXGFVDCSLZ-AWEZNQCLSA-N 0 3 341.433 1.960 20 5 EDBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000436719467 305166539 /nfs/dbraw/zinc/16/65/39/305166539.db2.gz DASUYIXTZMEKGO-AWEZNQCLSA-N 0 3 343.387 1.701 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-]CC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000440858164 305213516 /nfs/dbraw/zinc/21/35/16/305213516.db2.gz KHSVYBGPZJPHTE-UHFFFAOYSA-N 0 3 327.406 1.571 20 5 EDBDHN CCN1CCC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000445267697 305258720 /nfs/dbraw/zinc/25/87/20/305258720.db2.gz YEMFRURVGCZKOR-NSHDSACASA-N 0 3 346.391 1.755 20 5 EDBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448941337 305305145 /nfs/dbraw/zinc/30/51/45/305305145.db2.gz LRKDZHKCSVBCSM-UHFFFAOYSA-N 0 3 343.387 1.948 20 5 EDBDHN O=C1CCCN1C[C@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548720 305352963 /nfs/dbraw/zinc/35/29/63/305352963.db2.gz NXTBAOYMSXLWQH-DOTOQJQBSA-N 0 3 347.415 1.758 20 5 EDBDHN CC[C@H]1CN(CC)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723726 305364664 /nfs/dbraw/zinc/36/46/64/305364664.db2.gz BCLNQJISTQZKPF-GOEBONIOSA-N 0 3 337.420 1.751 20 5 EDBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452347535 305390956 /nfs/dbraw/zinc/39/09/56/305390956.db2.gz ITSVBVVQPKPFGP-GFCCVEGCSA-N 0 3 341.795 1.825 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Nc3ccccn3)CC2)c1 ZINC000534129501 306003945 /nfs/dbraw/zinc/00/39/45/306003945.db2.gz RZYVOFFSCMOCQY-OAHLLOKOSA-N 0 3 346.391 1.124 20 5 EDBDHN C[NH+](C)CC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000544726240 306078137 /nfs/dbraw/zinc/07/81/37/306078137.db2.gz RLIUWARVIWOVES-UHFFFAOYSA-N 0 3 342.421 1.390 20 5 EDBDHN NC(=O)c1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000557440328 306227939 /nfs/dbraw/zinc/22/79/39/306227939.db2.gz AAUKVNAGQIHRBI-HNNXBMFYSA-N 0 3 345.355 1.223 20 5 EDBDHN COc1cc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c([N+](=O)[O-])cc1[O-] ZINC000449461912 447374933 /nfs/dbraw/zinc/37/49/33/447374933.db2.gz UJBPOLXZDMLGFM-BMIGLBTASA-N 0 3 326.349 1.450 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]1CCO ZINC000426237271 447403485 /nfs/dbraw/zinc/40/34/85/447403485.db2.gz LCHNVYNUTSWVRW-LBPRGKRZSA-N 0 3 335.360 1.740 20 5 EDBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415429854 447430341 /nfs/dbraw/zinc/43/03/41/447430341.db2.gz QHJQIYIUQHQWRW-NSHDSACASA-N 0 3 326.328 1.162 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCCCC1 ZINC000046854915 441130676 /nfs/dbraw/zinc/13/06/76/441130676.db2.gz RNYNPYAFRYAHFI-ZDUSSCGKSA-N 0 3 348.403 1.315 20 5 EDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080447293 441171348 /nfs/dbraw/zinc/17/13/48/441171348.db2.gz UZHOLVHXRKGFIZ-KBPBESRZSA-N 0 3 334.420 1.830 20 5 EDBDHN CCOc1cc(C(=O)NC[C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000104189411 441190785 /nfs/dbraw/zinc/19/07/85/441190785.db2.gz GMUDOAYCJACIHE-NSHDSACASA-N 0 3 337.376 1.684 20 5 EDBDHN CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000104533606 441197491 /nfs/dbraw/zinc/19/74/91/441197491.db2.gz ZQGXRNHYASYECA-UHFFFAOYSA-N 0 3 326.372 1.299 20 5 EDBDHN CN(C)CCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000104533606 441197496 /nfs/dbraw/zinc/19/74/96/441197496.db2.gz ZQGXRNHYASYECA-UHFFFAOYSA-N 0 3 326.372 1.299 20 5 EDBDHN CN1CCC(O)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000080891238 441204325 /nfs/dbraw/zinc/20/43/25/441204325.db2.gz INBWMLKCUPOETA-UHFFFAOYSA-N 0 3 327.768 1.435 20 5 EDBDHN COc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000024086599 441304433 /nfs/dbraw/zinc/30/44/33/441304433.db2.gz ZPJGCEHZEBARGP-UHFFFAOYSA-N 0 3 342.355 1.961 20 5 EDBDHN C[NH+](C)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000066000412 441499345 /nfs/dbraw/zinc/49/93/45/441499345.db2.gz XAAKOAAMUDOFTF-UHFFFAOYSA-N 0 3 333.435 1.809 20 5 EDBDHN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@H](N2CCCC2)C1 ZINC000066660201 441558819 /nfs/dbraw/zinc/55/88/19/441558819.db2.gz FHWWPPSCPRJRKY-LBPRGKRZSA-N 0 3 347.371 1.676 20 5 EDBDHN CCN1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000041488101 441657205 /nfs/dbraw/zinc/65/72/05/441657205.db2.gz FCQUCIKDOIEBPA-UHFFFAOYSA-N 0 3 335.408 1.790 20 5 EDBDHN C[C@H](NC(=O)NCC1(O)CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000077780089 441860116 /nfs/dbraw/zinc/86/01/16/441860116.db2.gz JPNJJLIGSUOTKF-LBPRGKRZSA-N 0 3 336.392 1.412 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](CO)C1 ZINC000122201500 441838449 /nfs/dbraw/zinc/83/84/49/441838449.db2.gz WLNJEBVAFBEMRP-LBPRGKRZSA-N 0 3 337.376 1.636 20 5 EDBDHN CC(C)N1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000068798747 441853481 /nfs/dbraw/zinc/85/34/81/441853481.db2.gz BIOCMCAISBYZKU-UHFFFAOYSA-N 0 3 349.387 1.922 20 5 EDBDHN CC(C)N1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000069082575 441886763 /nfs/dbraw/zinc/88/67/63/441886763.db2.gz RVYRMLFEANHMBH-UHFFFAOYSA-N 0 3 346.431 1.900 20 5 EDBDHN CCc1ccc(C(=O)NC2CCN(CCOC)CC2)cc1[N+](=O)[O-] ZINC000174134670 441892551 /nfs/dbraw/zinc/89/25/51/441892551.db2.gz YOXCSRQDCBMXMV-UHFFFAOYSA-N 0 3 335.404 1.998 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000119444182 441935165 /nfs/dbraw/zinc/93/51/65/441935165.db2.gz IAYHNUCPLOUCJP-LBPRGKRZSA-N 0 3 339.417 1.666 20 5 EDBDHN CN(Cc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000078507359 441939628 /nfs/dbraw/zinc/93/96/28/441939628.db2.gz WIHRXFUQSOJPLM-ZDUSSCGKSA-N 0 3 328.376 1.678 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C2CCOCC2)CC1 ZINC000175501672 442075582 /nfs/dbraw/zinc/07/55/82/442075582.db2.gz ZAECFDNACWPKBW-UHFFFAOYSA-N 0 3 335.404 1.900 20 5 EDBDHN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H](CN)C2CC2)cc1[N+](=O)[O-] ZINC000415444210 447446025 /nfs/dbraw/zinc/44/60/25/447446025.db2.gz ICKWLFHDPKGJCE-ZDUSSCGKSA-N 0 3 348.403 1.684 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000163028589 442139545 /nfs/dbraw/zinc/13/95/45/442139545.db2.gz OZNODOQFDLUOGM-VXGBXAGGSA-N 0 3 337.376 1.947 20 5 EDBDHN COC(=O)[C@@H](C)[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000152141047 442171079 /nfs/dbraw/zinc/17/10/79/442171079.db2.gz JEDBKVNZYCGPSY-WFASDCNBSA-N 0 3 332.360 1.931 20 5 EDBDHN CCCCCNC(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176209157 442191787 /nfs/dbraw/zinc/19/17/87/442191787.db2.gz HTECRIUMGLIBCQ-UHFFFAOYSA-N 0 3 337.424 1.810 20 5 EDBDHN C[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000152977868 442254499 /nfs/dbraw/zinc/25/44/99/442254499.db2.gz LMVDFNYANJZHOR-SMDDNHRTSA-N 0 3 327.406 1.669 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000152531058 442223087 /nfs/dbraw/zinc/22/30/87/442223087.db2.gz RFQPWWUIBPIEBQ-AWEZNQCLSA-N 0 3 339.367 1.503 20 5 EDBDHN Cc1nn(C)c(C(=O)NCCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000127914993 442233157 /nfs/dbraw/zinc/23/31/57/442233157.db2.gz NFNONJLZZXTNRP-UHFFFAOYSA-N 0 3 345.403 1.889 20 5 EDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000170886075 442283706 /nfs/dbraw/zinc/28/37/06/442283706.db2.gz FLHTUVAMVNVURJ-LLVKDONJSA-N 0 3 345.421 1.612 20 5 EDBDHN COc1cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177066021 442292866 /nfs/dbraw/zinc/29/28/66/442292866.db2.gz AKYBXDAUSVHFIY-QWRGUYRKSA-N 0 3 349.387 1.967 20 5 EDBDHN Cc1nn(CCC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000177073438 442294412 /nfs/dbraw/zinc/29/44/12/442294412.db2.gz CGYPAUXXISUWSU-ZWNOBZJWSA-N 0 3 335.408 1.540 20 5 EDBDHN COCCCN(C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000177077902 442294960 /nfs/dbraw/zinc/29/49/60/442294960.db2.gz SOLRTUGCBLGRIR-UHFFFAOYSA-N 0 3 329.784 1.946 20 5 EDBDHN Cc1cccc(CN(CCN(C)C)C(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000171337980 442342124 /nfs/dbraw/zinc/34/21/24/442342124.db2.gz DFOPSFHHHGKDDB-UHFFFAOYSA-N 0 3 345.403 1.690 20 5 EDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000171129392 442317683 /nfs/dbraw/zinc/31/76/83/442317683.db2.gz TZCKLYVWCSXEOM-UHFFFAOYSA-N 0 3 340.336 1.119 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCN(C)C(C)C)c1C ZINC000155601636 442411785 /nfs/dbraw/zinc/41/17/85/442411785.db2.gz ZIZVBPNVLSGFBM-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CCCNCC2)cc1SC ZINC000178357458 442427622 /nfs/dbraw/zinc/42/76/22/442427622.db2.gz ZXMOTRVUTDMDRJ-UHFFFAOYSA-N 0 3 325.390 1.761 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(Cn3ccnn3)CC2)c1 ZINC000155796977 442428248 /nfs/dbraw/zinc/42/82/48/442428248.db2.gz GSQGARWPMZIBNS-MRXNPFEDSA-N 0 3 331.376 1.632 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)C[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000134149042 442453330 /nfs/dbraw/zinc/45/33/30/442453330.db2.gz RGDPUBTUFBXOOU-ZDUSSCGKSA-N 0 3 348.403 1.642 20 5 EDBDHN Cc1ccc(CN(CCN(C)C)C(=O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000193664703 442765066 /nfs/dbraw/zinc/76/50/66/442765066.db2.gz RIKAEVQUEGGISD-UHFFFAOYSA-N 0 3 335.364 1.283 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000268222877 442906884 /nfs/dbraw/zinc/90/68/84/442906884.db2.gz QWCQDQCFIFHNMX-GXFFZTMASA-N 0 3 347.371 1.579 20 5 EDBDHN CCN(CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000189257750 442907414 /nfs/dbraw/zinc/90/74/14/442907414.db2.gz SABKACBSBCESHW-UHFFFAOYSA-N 0 3 348.403 1.852 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000268237546 442912038 /nfs/dbraw/zinc/91/20/38/442912038.db2.gz UGOZWYXURGFSAZ-LKFCYVNXSA-N 0 3 334.332 1.716 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000268303711 442939632 /nfs/dbraw/zinc/93/96/32/442939632.db2.gz XPRMJJHYIYOYOX-KOLCDFICSA-N 0 3 331.369 1.305 20 5 EDBDHN CN(CCOCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000268339136 442953621 /nfs/dbraw/zinc/95/36/21/442953621.db2.gz OUZAHHYIIKKNJQ-INIZCTEOSA-N 0 3 334.376 1.301 20 5 EDBDHN COCCCN(CCOC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266561599 443169471 /nfs/dbraw/zinc/16/94/71/443169471.db2.gz YABMZTAPWIGGIC-UHFFFAOYSA-N 0 3 342.392 1.967 20 5 EDBDHN O=C(CNc1ccccc1[N+](=O)[O-])NCCCNCc1cccnc1 ZINC000237988464 443191325 /nfs/dbraw/zinc/19/13/25/443191325.db2.gz YYIMJACBDAGGFO-UHFFFAOYSA-N 0 3 343.387 1.698 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3ccccc3F)C2)c1 ZINC000266507478 443150459 /nfs/dbraw/zinc/15/04/59/443150459.db2.gz CMTIGEVTALJAEK-GXTWGEPZSA-N 0 3 334.351 1.781 20 5 EDBDHN CCCn1ccnc1CCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000191487244 443301482 /nfs/dbraw/zinc/30/14/82/443301482.db2.gz NTYMLTNYTIRLFC-UHFFFAOYSA-N 0 3 347.419 1.928 20 5 EDBDHN COC[C@H](C)OC[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278451421 443335663 /nfs/dbraw/zinc/33/56/63/443335663.db2.gz XNTRIIBTDCWICP-GZBFAFLISA-N 0 3 326.393 1.966 20 5 EDBDHN C[C@@H]1CCN[C@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000423408342 319772632 /nfs/dbraw/zinc/77/26/32/319772632.db2.gz ADFZCKIWVFTLES-DYEKYZERSA-N 0 3 333.392 1.391 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)nc1 ZINC000273571414 443580386 /nfs/dbraw/zinc/58/03/86/443580386.db2.gz DIEZKPOEAKSJFJ-GOEBONIOSA-N 0 3 343.387 1.680 20 5 EDBDHN CC1(C)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000279877862 443634531 /nfs/dbraw/zinc/63/45/31/443634531.db2.gz UFUUAGFVFZWNLM-CYBMUJFWSA-N 0 3 325.340 1.765 20 5 EDBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000286067445 443639237 /nfs/dbraw/zinc/63/92/37/443639237.db2.gz RRRIDSLOPMFUDT-HUUCEWRRSA-N 0 3 335.404 1.769 20 5 EDBDHN COc1cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c([N+](=O)[O-])cc1[O-] ZINC000280342693 443697932 /nfs/dbraw/zinc/69/79/32/443697932.db2.gz RPRCIMWHNVTLNC-ZYHUDNBSSA-N 0 3 326.349 1.044 20 5 EDBDHN CCNc1nc(NCCn2cc([N+](=O)[O-])cn2)nc(NC(C)(C)C)n1 ZINC000286365949 443699503 /nfs/dbraw/zinc/69/95/03/443699503.db2.gz XIJGEMTZNGIGAK-UHFFFAOYSA-N 0 3 349.399 1.731 20 5 EDBDHN CN1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000290957851 443720766 /nfs/dbraw/zinc/72/07/66/443720766.db2.gz NZSKPYGBSLUETJ-KBPBESRZSA-N 0 3 341.371 1.946 20 5 EDBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000276603216 443762035 /nfs/dbraw/zinc/76/20/35/443762035.db2.gz RJCFGWPQIQAVHZ-NWDGAFQWSA-N 0 3 349.387 1.661 20 5 EDBDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292786119 443843113 /nfs/dbraw/zinc/84/31/13/443843113.db2.gz LCBLLWBKLHZGQB-OAHLLOKOSA-N 0 3 339.417 1.701 20 5 EDBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)Cc1ccccc1 ZINC000533809691 320695478 /nfs/dbraw/zinc/69/54/78/320695478.db2.gz LLGKGSWBRARFFU-AWEZNQCLSA-N 0 3 330.388 1.836 20 5 EDBDHN COCCOCCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000289066626 444045975 /nfs/dbraw/zinc/04/59/75/444045975.db2.gz RQTPFLZTHPXZEK-UHFFFAOYSA-N 0 3 325.365 1.518 20 5 EDBDHN CNC(=O)c1ccc(N2CCN(C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000294868161 444152182 /nfs/dbraw/zinc/15/21/82/444152182.db2.gz DVFFTFWIZLHBFE-LBPRGKRZSA-N 0 3 332.404 1.875 20 5 EDBDHN CN(C[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000289713013 444194028 /nfs/dbraw/zinc/19/40/28/444194028.db2.gz GJACZRWDHGZXPY-QGZVFWFLSA-N 0 3 334.420 1.172 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](CO)C1 ZINC000304679364 444251501 /nfs/dbraw/zinc/25/15/01/444251501.db2.gz DSAGGHPJTQHIAK-LBPRGKRZSA-N 0 3 335.360 1.597 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCC[C@H]2O)cc1 ZINC000577221481 321634368 /nfs/dbraw/zinc/63/43/68/321634368.db2.gz QOZBVXXHBXBJDD-SWLSCSKDSA-N 0 3 342.417 1.509 20 5 EDBDHN CC[C@H](CNS(C)(=O)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000296579495 444239676 /nfs/dbraw/zinc/23/96/76/444239676.db2.gz UFOGGMNHCWLFJR-NWDGAFQWSA-N 0 3 329.422 1.882 20 5 EDBDHN C[C@H](NC(=O)NCC1(O)CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297666105 444315734 /nfs/dbraw/zinc/31/57/34/444315734.db2.gz OSTNTVWXGARTJQ-LBPRGKRZSA-N 0 3 336.392 1.412 20 5 EDBDHN CCNC(=O)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000298076673 444407751 /nfs/dbraw/zinc/40/77/51/444407751.db2.gz HIKUVMYOJGNWOO-HNNXBMFYSA-N 0 3 336.392 1.674 20 5 EDBDHN COC(C)(C)[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000340506735 444415894 /nfs/dbraw/zinc/41/58/94/444415894.db2.gz WHPKJNVUWWYQFF-LLVKDONJSA-N 0 3 330.406 1.772 20 5 EDBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000340507672 444416713 /nfs/dbraw/zinc/41/67/13/444416713.db2.gz XODQAVYHMYRHBG-DOMZBBRYSA-N 0 3 342.417 1.916 20 5 EDBDHN C[C@H](N[C@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338589682 444759946 /nfs/dbraw/zinc/75/99/46/444759946.db2.gz BECFGHRQXSLCKB-GWCFXTLKSA-N 0 3 334.376 1.569 20 5 EDBDHN C[C@H](N[C@@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338589683 444760227 /nfs/dbraw/zinc/76/02/27/444760227.db2.gz BECFGHRQXSLCKB-GXFFZTMASA-N 0 3 334.376 1.569 20 5 EDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341541869 444883721 /nfs/dbraw/zinc/88/37/21/444883721.db2.gz DRMBQLKOEVHUIL-CHWSQXEVSA-N 0 3 348.403 1.912 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000344298740 444887415 /nfs/dbraw/zinc/88/74/15/444887415.db2.gz RVPABEMFELJRKW-WFASDCNBSA-N 0 3 335.408 1.789 20 5 EDBDHN CCCN1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000343562160 445244402 /nfs/dbraw/zinc/24/44/02/445244402.db2.gz YEAHLFWDOVQEOF-LBPRGKRZSA-N 0 3 349.387 1.970 20 5 EDBDHN CO[C@H]1C[C@H](CN2CCCC2)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000347938920 445256935 /nfs/dbraw/zinc/25/69/35/445256935.db2.gz VHEMGOKLTDDHIS-OLZOCXBDSA-N 0 3 346.391 1.327 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CO)C1CCOCC1 ZINC000359869503 445467997 /nfs/dbraw/zinc/46/79/97/445467997.db2.gz FZUWNGGBGDUIPD-ZDUSSCGKSA-N 0 3 337.376 1.219 20 5 EDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000360005657 445523746 /nfs/dbraw/zinc/52/37/46/445523746.db2.gz HEKYCEXZSLCKDH-LLVKDONJSA-N 0 3 345.421 1.612 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000360007903 445525185 /nfs/dbraw/zinc/52/51/85/445525185.db2.gz SKPKHOHKDPSDDV-OLZOCXBDSA-N 0 3 339.417 1.570 20 5 EDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000357305952 445538543 /nfs/dbraw/zinc/53/85/43/445538543.db2.gz LJSRGGKFMJCRTL-CYBMUJFWSA-N 0 3 333.348 1.359 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000356225138 445685686 /nfs/dbraw/zinc/68/56/86/445685686.db2.gz RQJAYVZZCQTISM-CQSZACIVSA-N 0 3 343.387 1.723 20 5 EDBDHN COc1cnccc1N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000361532384 445807928 /nfs/dbraw/zinc/80/79/28/445807928.db2.gz XHFSGORRSLROIB-UHFFFAOYSA-N 0 3 332.364 1.017 20 5 EDBDHN CN1CCC(n2ccc(NC(=O)c3csc([N+](=O)[O-])c3)n2)CC1 ZINC000373232755 446108462 /nfs/dbraw/zinc/10/84/62/446108462.db2.gz QYYLPFOAIKABAI-UHFFFAOYSA-N 0 3 335.389 2.372 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365262964 446111020 /nfs/dbraw/zinc/11/10/20/446111020.db2.gz BOHVDSQDWQECAG-YSVLISHTSA-N 0 3 346.387 1.038 20 5 EDBDHN CCc1nn(C)c(N2CCC(OCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000354327119 446116376 /nfs/dbraw/zinc/11/63/76/446116376.db2.gz GQDVWMLXSKFFJW-UHFFFAOYSA-N 0 3 325.413 1.438 20 5 EDBDHN Cc1cc(NC(=O)CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)no1 ZINC000369693551 446147747 /nfs/dbraw/zinc/14/77/47/446147747.db2.gz UBDBUZIXZFAMIW-UHFFFAOYSA-N 0 3 348.363 1.753 20 5 EDBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354427483 446197070 /nfs/dbraw/zinc/19/70/70/446197070.db2.gz KAPJODYIZAEKMS-UHFFFAOYSA-N 0 3 344.375 1.702 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000376189067 446372700 /nfs/dbraw/zinc/37/27/00/446372700.db2.gz RWPGKHQLVWTWLL-QWHCGFSZSA-N 0 3 349.387 1.965 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420379099 446555651 /nfs/dbraw/zinc/55/56/51/446555651.db2.gz MNNSNINTAUCIKI-OAHLLOKOSA-N 0 3 346.391 1.491 20 5 EDBDHN C[C@H](C[S@@](C)=O)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411511328 446578781 /nfs/dbraw/zinc/57/87/81/446578781.db2.gz IVDLXNAGRXSQMD-RKFFSXRUSA-N 0 3 327.406 1.622 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000411594351 446619878 /nfs/dbraw/zinc/61/98/78/446619878.db2.gz ZVHYGJAMJFMQLE-RISCZKNCSA-N 0 3 332.360 1.004 20 5 EDBDHN CC[C@@]1(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCOC1 ZINC000616487756 450434270 /nfs/dbraw/zinc/43/42/70/450434270.db2.gz YMVIGZJEYJPFBF-MRXNPFEDSA-N 0 3 338.360 1.805 20 5 EDBDHN Cc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000371348985 446795242 /nfs/dbraw/zinc/79/52/42/446795242.db2.gz DWKCJPBHRHKNDM-CABCVRRESA-N 0 3 333.436 1.760 20 5 EDBDHN O=C(NC[C@H]1CCCN1CCCO)Nc1ccc([N+](=O)[O-])cc1F ZINC000454280952 446833123 /nfs/dbraw/zinc/83/31/23/446833123.db2.gz UYISSUGGQZXBRW-GFCCVEGCSA-N 0 3 340.355 1.702 20 5 EDBDHN CC(C)Oc1cc(C(=O)NC[C@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000412203736 446897120 /nfs/dbraw/zinc/89/71/20/446897120.db2.gz GTIHHHXGUWIVSB-INIZCTEOSA-N 0 3 339.392 1.424 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420940574 446914133 /nfs/dbraw/zinc/91/41/33/446914133.db2.gz DQKMUQHBLBQQBV-JQWIXIFHSA-N 0 3 336.314 1.817 20 5 EDBDHN C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000419152931 446969729 /nfs/dbraw/zinc/96/97/29/446969729.db2.gz OVSSXBYCDWKGDS-SLEUVZQESA-N 0 3 348.403 1.358 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H]3CNc4ccnn4C3)C2)nc1 ZINC000619266192 450438982 /nfs/dbraw/zinc/43/89/82/450438982.db2.gz ZZAKQUVKULZMFC-STQMWFEESA-N 0 3 343.391 1.414 20 5 EDBDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000372806084 447292674 /nfs/dbraw/zinc/29/26/74/447292674.db2.gz PBOJIALUKPBQSH-RHSMWYFYSA-N 0 3 331.372 1.641 20 5 EDBDHN CCOCCOC[C@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447598112 447280105 /nfs/dbraw/zinc/28/01/05/447280105.db2.gz GPGDMZYZXYZAQV-NVXWUHKLSA-N 0 3 338.404 1.976 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCC1CCN(CCO)CC1 ZINC000427025052 447530779 /nfs/dbraw/zinc/53/07/79/447530779.db2.gz WXGKNDLEJLESSF-UHFFFAOYSA-N 0 3 337.376 1.038 20 5 EDBDHN CC(C)CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1cnn(C)c1 ZINC000459601683 447719030 /nfs/dbraw/zinc/71/90/30/447719030.db2.gz YQEODCIRTXFMDX-UHFFFAOYSA-N 0 3 333.392 1.648 20 5 EDBDHN CC(COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)[N+](=O)[O-] ZINC000496555939 447818698 /nfs/dbraw/zinc/81/86/98/447818698.db2.gz YLHPXBLQGLFGIO-NKWVEPMBSA-N 0 3 330.259 1.650 20 5 EDBDHN COc1ccc(CC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000525540231 448004423 /nfs/dbraw/zinc/00/44/23/448004423.db2.gz NCJWOUWIXGMGCI-TZMCWYRMSA-N 0 3 335.404 1.945 20 5 EDBDHN CN(C[C@@H](O)CNCc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000496928814 448046139 /nfs/dbraw/zinc/04/61/39/448046139.db2.gz WUKLUJXMQIGGSQ-AWEZNQCLSA-N 0 3 339.392 1.912 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@@H]2C2(O)CC2)c1 ZINC000571381316 448144005 /nfs/dbraw/zinc/14/40/05/448144005.db2.gz BHWUMNNEYYRCNF-GDBMZVCRSA-N 0 3 336.388 1.714 20 5 EDBDHN CC(COC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497044248 448152500 /nfs/dbraw/zinc/15/25/00/448152500.db2.gz MRDRPYAIRHDAHE-HTQZYQBOSA-N 0 3 326.296 1.743 20 5 EDBDHN CC(C)(CO)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576943101 448176697 /nfs/dbraw/zinc/17/66/97/448176697.db2.gz AFTBQBFMIXOKJZ-UHFFFAOYSA-N 0 3 330.406 1.367 20 5 EDBDHN CNc1nccc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000557522955 448185230 /nfs/dbraw/zinc/18/52/30/448185230.db2.gz HBYOKIHDLJIOBD-VXGBXAGGSA-N 0 3 335.408 1.882 20 5 EDBDHN Cc1cc(C)cc(OC[C@H](O)CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000577099185 448210612 /nfs/dbraw/zinc/21/06/12/448210612.db2.gz ZOXWDIUDIHSQJA-OAHLLOKOSA-N 0 3 334.376 1.438 20 5 EDBDHN NCc1cn([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)nn1 ZINC000571881314 448226425 /nfs/dbraw/zinc/22/64/25/448226425.db2.gz YQNQUVKCIHFRKJ-JTQLQIEISA-N 0 3 336.377 1.184 20 5 EDBDHN CCSc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000591761469 448485064 /nfs/dbraw/zinc/48/50/64/448485064.db2.gz OHCKFWDYIATSLV-CYBMUJFWSA-N 0 3 337.405 1.449 20 5 EDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000578764929 448632102 /nfs/dbraw/zinc/63/21/02/448632102.db2.gz WXEBDFYRQAKTQP-KRWDZBQOSA-N 0 3 344.371 1.263 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N2CCN[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000592244389 448760994 /nfs/dbraw/zinc/76/09/94/448760994.db2.gz BULGKWDFMVIDOX-OAHLLOKOSA-N 0 3 349.387 1.842 20 5 EDBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000592430712 448832645 /nfs/dbraw/zinc/83/26/45/448832645.db2.gz CJDCQYRIVBYFQF-MKPLZMMCSA-N 0 3 338.282 1.236 20 5 EDBDHN CC[C@H](CN1CCCC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000587979784 448849231 /nfs/dbraw/zinc/84/92/31/448849231.db2.gz MSQUSKSFOPNLRQ-LLVKDONJSA-N 0 3 331.376 2.530 20 5 EDBDHN Cc1ccc2oc(CNC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2c1 ZINC000579973340 448927477 /nfs/dbraw/zinc/92/74/77/448927477.db2.gz ZVFCZVJFMURQBU-AWEZNQCLSA-N 0 3 330.344 1.997 20 5 EDBDHN CN1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000520824159 448934135 /nfs/dbraw/zinc/93/41/35/448934135.db2.gz PQNIPNFTZQSOIX-LLVKDONJSA-N 0 3 335.360 1.438 20 5 EDBDHN CCc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592874080 449031088 /nfs/dbraw/zinc/03/10/88/449031088.db2.gz RDKLZKMQLWYCOU-LBPRGKRZSA-N 0 3 348.403 1.349 20 5 EDBDHN C[C@@H](C(=O)N[C@@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000582222982 449039733 /nfs/dbraw/zinc/03/97/33/449039733.db2.gz OKACSMHVLMQVFM-UKRRQHHQSA-N 0 3 335.404 1.661 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000590046454 449100417 /nfs/dbraw/zinc/10/04/17/449100417.db2.gz DEQDRDBXFKSNLL-BDJLRTHQSA-N 0 3 328.372 1.781 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000593035109 449110249 /nfs/dbraw/zinc/11/02/49/449110249.db2.gz XUKVUYHQIZRSRR-LBPRGKRZSA-N 0 3 345.359 1.797 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](c3nc(C)n[nH]3)C2)c1 ZINC000593035109 449110253 /nfs/dbraw/zinc/11/02/53/449110253.db2.gz XUKVUYHQIZRSRR-LBPRGKRZSA-N 0 3 345.359 1.797 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000593035109 449110256 /nfs/dbraw/zinc/11/02/56/449110256.db2.gz XUKVUYHQIZRSRR-LBPRGKRZSA-N 0 3 345.359 1.797 20 5 EDBDHN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599939722 449118336 /nfs/dbraw/zinc/11/83/36/449118336.db2.gz YIFUAYLVDVPABM-VXGBXAGGSA-N 0 3 344.371 1.357 20 5 EDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590588679 449203745 /nfs/dbraw/zinc/20/37/45/449203745.db2.gz HTXCICXIKPHDKA-WCQYABFASA-N 0 3 327.406 1.449 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]CC(C)(C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000590589696 449204526 /nfs/dbraw/zinc/20/45/26/449204526.db2.gz MNAHIXOQYPGWEI-UHFFFAOYSA-N 0 3 347.412 1.908 20 5 EDBDHN COc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1C ZINC000590548914 449183215 /nfs/dbraw/zinc/18/32/15/449183215.db2.gz HYXRXRGZXKXZMV-ZIAGYGMSSA-N 0 3 349.387 1.193 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H](CO)[C@H](CO)C3)o2)c1 ZINC000600189372 449234845 /nfs/dbraw/zinc/23/48/45/449234845.db2.gz FUCKTIBWRZXWGT-KBPBESRZSA-N 0 3 332.356 1.887 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](F)[C@H](N)C1 ZINC000595907422 449246387 /nfs/dbraw/zinc/24/63/87/449246387.db2.gz UGTMYIDOQQDDIV-VXGBXAGGSA-N 0 3 340.355 1.303 20 5 EDBDHN CN([C@H](CN)C(F)(F)F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595908092 449246796 /nfs/dbraw/zinc/24/67/96/449246796.db2.gz MSFXRPCZROTTHL-VXGBXAGGSA-N 0 3 346.309 1.522 20 5 EDBDHN CCN1CCN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593464556 449297879 /nfs/dbraw/zinc/29/78/79/449297879.db2.gz LFANHBITBJPFSG-UHFFFAOYSA-N 0 3 338.383 1.030 20 5 EDBDHN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)N(C)C ZINC000596088894 449357273 /nfs/dbraw/zinc/35/72/73/449357273.db2.gz AHTWQZXIGGNOFQ-LLVKDONJSA-N 0 3 344.437 1.645 20 5 EDBDHN C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)CC1 ZINC000611556620 449335449 /nfs/dbraw/zinc/33/54/49/449335449.db2.gz WERGDBLYKLXZOA-CYBMUJFWSA-N 0 3 348.403 1.199 20 5 EDBDHN CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)CC1 ZINC000611556620 449335454 /nfs/dbraw/zinc/33/54/54/449335454.db2.gz WERGDBLYKLXZOA-CYBMUJFWSA-N 0 3 348.403 1.199 20 5 EDBDHN CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)CC1 ZINC000611556620 449335457 /nfs/dbraw/zinc/33/54/57/449335457.db2.gz WERGDBLYKLXZOA-CYBMUJFWSA-N 0 3 348.403 1.199 20 5 EDBDHN CC[C@H](C(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000600540243 449431922 /nfs/dbraw/zinc/43/19/22/449431922.db2.gz FYGHEVHXXUCQIP-CJNGLKHVSA-N 0 3 337.376 1.439 20 5 EDBDHN O=[N+]([O-])c1cncc(Cl)c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000596168197 449393626 /nfs/dbraw/zinc/39/36/26/449393626.db2.gz QHZAOZGQKSGPDC-LLVKDONJSA-N 0 3 326.784 1.730 20 5 EDBDHN C[C@@](CO)(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000612074405 449553348 /nfs/dbraw/zinc/55/33/48/449553348.db2.gz SJBXQPXHYKKQHU-QAPCUYQASA-N 0 3 346.383 1.832 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594474972 449540081 /nfs/dbraw/zinc/54/00/81/449540081.db2.gz PNXAOCMSSAXKKI-TXEJJXNPSA-N 0 3 327.406 1.522 20 5 EDBDHN CN(C)CCN(CC(=O)N(C)C)c1ncc([N+](=O)[O-])cc1Cl ZINC000596463808 449515948 /nfs/dbraw/zinc/51/59/48/449515948.db2.gz SMZURIWVQQQOFJ-UHFFFAOYSA-N 0 3 329.788 1.099 20 5 EDBDHN C[C@H]1NCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)[C@@H]1C ZINC000602490661 449629174 /nfs/dbraw/zinc/62/91/74/449629174.db2.gz CVFCRUXLLBTZCE-GHMZBOCLSA-N 0 3 347.350 1.742 20 5 EDBDHN C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)CN1CCN(C)CC1 ZINC000602542079 449661924 /nfs/dbraw/zinc/66/19/24/449661924.db2.gz SJVKPWPLJXQWJJ-CYBMUJFWSA-N 0 3 347.419 1.709 20 5 EDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000594760787 449674572 /nfs/dbraw/zinc/67/45/72/449674572.db2.gz SYDRWXPJBNKTQG-NWDGAFQWSA-N 0 3 342.421 1.483 20 5 EDBDHN NCc1cn([C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000598913281 449644406 /nfs/dbraw/zinc/64/44/06/449644406.db2.gz HUEWGFJFYKHTDM-AWEZNQCLSA-N 0 3 345.363 1.514 20 5 EDBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594783556 449694134 /nfs/dbraw/zinc/69/41/34/449694134.db2.gz RADIOEUVIMGDDJ-UHFFFAOYSA-N 0 3 342.421 1.485 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601196453 449744962 /nfs/dbraw/zinc/74/49/62/449744962.db2.gz KVVXZNIUKBIVIC-UHFFFAOYSA-N 0 3 325.340 1.311 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OC[C@H]2CCOC2)CC1 ZINC000602797117 449816113 /nfs/dbraw/zinc/81/61/13/449816113.db2.gz GUPTZTULBUWRQD-AWEZNQCLSA-N 0 3 338.408 1.617 20 5 EDBDHN COCc1nnc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[n-]1 ZINC000595064743 449851474 /nfs/dbraw/zinc/85/14/74/449851474.db2.gz AWJDWDXXDATKSY-ZDUSSCGKSA-N 0 3 331.376 1.970 20 5 EDBDHN COc1cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000597574631 450118517 /nfs/dbraw/zinc/11/85/17/450118517.db2.gz RFYOSPDTAFHOGC-MRXNPFEDSA-N 0 3 337.376 1.132 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000597583382 450126850 /nfs/dbraw/zinc/12/68/50/450126850.db2.gz CUHLLMOOTJJSJK-LZLYRXPVSA-N 0 3 347.415 1.613 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000610403358 450207836 /nfs/dbraw/zinc/20/78/36/450207836.db2.gz NUABAMNBIQBTHM-STQMWFEESA-N 0 3 336.392 1.756 20 5 EDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(N(C)C)CCC1 ZINC000619498775 450493292 /nfs/dbraw/zinc/49/32/92/450493292.db2.gz UOTNUXZRCPJOPN-UHFFFAOYSA-N 0 3 343.405 1.366 20 5 EDBDHN Cc1c(CC(=O)N[C@H](C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000184352969 533836795 /nfs/dbraw/zinc/83/67/95/533836795.db2.gz QNFRAYDSJDMIMQ-CQSZACIVSA-N 0 3 348.447 1.588 20 5 EDBDHN CC(C)(C)[C@@H](CCO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183671155 526614049 /nfs/dbraw/zinc/61/40/49/526614049.db2.gz XZCIMUFKMKNSID-OAHLLOKOSA-N 0 3 335.404 1.871 20 5 EDBDHN CC1([C@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)OCCO1 ZINC000183904817 528057601 /nfs/dbraw/zinc/05/76/01/528057601.db2.gz NFPPEEUZDZNGDR-AWEZNQCLSA-N 0 3 349.387 1.669 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000190324782 528085864 /nfs/dbraw/zinc/08/58/64/528085864.db2.gz YBPWVRQRDYDAMO-UHFFFAOYSA-N 0 3 327.410 1.042 20 5 EDBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000183941540 528546129 /nfs/dbraw/zinc/54/61/29/528546129.db2.gz XVMHOOSTEFKJHM-UHFFFAOYSA-N 0 3 349.309 1.658 20 5 EDBDHN CC[C@@H](O)[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181900266 529238194 /nfs/dbraw/zinc/23/81/94/529238194.db2.gz HHAGNPLTBNRXLX-SQWLQELKSA-N 0 3 338.404 1.960 20 5 EDBDHN CCN1CCN(CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074137507 535688680 /nfs/dbraw/zinc/68/86/80/535688680.db2.gz DQEKKZHYNFNGOI-UHFFFAOYSA-N 0 3 348.447 1.671 20 5 EDBDHN CN(C)CCOCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000345967582 535899230 /nfs/dbraw/zinc/89/92/30/535899230.db2.gz UXMBQYNBFPKLMR-UHFFFAOYSA-N 0 3 349.309 1.922 20 5 EDBDHN CN(C)CCOc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000345298829 535918259 /nfs/dbraw/zinc/91/82/59/535918259.db2.gz MTLMHEWYFKXWJP-UHFFFAOYSA-N 0 3 334.332 1.453 20 5 EDBDHN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736295987 578973808 /nfs/dbraw/zinc/97/38/08/578973808.db2.gz ZMIKYPKWYFGAAC-ZYHUDNBSSA-N 0 3 329.364 1.448 20 5 EDBDHN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736295987 578973809 /nfs/dbraw/zinc/97/38/09/578973809.db2.gz ZMIKYPKWYFGAAC-ZYHUDNBSSA-N 0 3 329.364 1.448 20 5 EDBDHN CN(C)C(=O)CC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000781347231 580547263 /nfs/dbraw/zinc/54/72/63/580547263.db2.gz QKGOEIIQQYXDOG-MRXNPFEDSA-N 0 3 335.404 1.819 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCOCCS(C)(=O)=O ZINC000786811512 580679905 /nfs/dbraw/zinc/67/99/05/580679905.db2.gz DOKAHFFWVWXWOA-RAXLEYEMSA-N 0 3 342.417 1.649 20 5 EDBDHN Nc1nccc([C@H]2CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000801551086 581079463 /nfs/dbraw/zinc/07/94/63/581079463.db2.gz MQWYFWOZHCWICJ-BBRMVZONSA-N 0 3 343.387 1.880 20 5 EDBDHN CN1C[C@H]2CCN(c3c4ccccc4n(C)c(=O)c3[N+](=O)[O-])[C@H]2C1 ZINC000893938790 591144187 /nfs/dbraw/zinc/14/41/87/591144187.db2.gz GDGXTGIEFPMSDK-RISCZKNCSA-N 0 3 328.372 1.587 20 5 EDBDHN CCO[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)CN(C)C ZINC000896111895 591348096 /nfs/dbraw/zinc/34/80/96/591348096.db2.gz IJVSVAUQIPAPFI-VIFPVBQESA-N 0 3 325.394 1.978 20 5 EDBDHN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CN2CCN1CCC2 ZINC000898462172 591363740 /nfs/dbraw/zinc/36/37/40/591363740.db2.gz NGHXIALBVIXHEY-HNNXBMFYSA-N 0 3 341.371 1.471 20 5 EDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(CNC2CCN(C)CC2)nn1 ZINC000900515344 592042345 /nfs/dbraw/zinc/04/23/45/592042345.db2.gz ICVKOBHBPHWOLY-CYBMUJFWSA-N 0 3 344.419 1.979 20 5 EDBDHN CN1CCN(C)CC(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000908359803 592465064 /nfs/dbraw/zinc/46/50/64/592465064.db2.gz FWLRIMJIKYTAGB-UHFFFAOYSA-N 0 3 334.420 1.440 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H](O)Cc2ccccc2F)c1 ZINC000905470386 592544357 /nfs/dbraw/zinc/54/43/57/592544357.db2.gz DOROJXUXBZDIIR-DOTOQJQBSA-N 0 3 334.347 1.961 20 5 EDBDHN CC1(C)CNCCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000911844418 593024960 /nfs/dbraw/zinc/02/49/60/593024960.db2.gz FYOYJZIQAHDHHG-AWEZNQCLSA-N 0 3 332.360 1.298 20 5 EDBDHN O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@]12C[C@H]1CCCN2 ZINC000911973403 593043751 /nfs/dbraw/zinc/04/37/51/593043751.db2.gz MCTYBJZPVQFQAZ-DYVFJYSZSA-N 0 3 330.388 1.386 20 5 EDBDHN CN1CCC[C@H](N2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)C1 ZINC000804461601 593417000 /nfs/dbraw/zinc/41/70/00/593417000.db2.gz NAFZCZPNNDIDMJ-ZDUSSCGKSA-N 0 3 349.391 1.719 20 5 EDBDHN CSC1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN(C)CC1 ZINC000812255485 593493405 /nfs/dbraw/zinc/49/34/05/593493405.db2.gz RIDCEJFBWFZLRL-UHFFFAOYSA-N 0 3 338.433 1.734 20 5 EDBDHN CC(COC(=O)CCC(=O)N1CCN(c2ccccc2)CC1)[N+](=O)[O-] ZINC000813101549 593517595 /nfs/dbraw/zinc/51/75/95/593517595.db2.gz DCTFDGGSDRXJTE-AWEZNQCLSA-N 0 3 349.387 1.324 20 5 EDBDHN CC(COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000813103512 593517901 /nfs/dbraw/zinc/51/79/01/593517901.db2.gz CKRQFMJZJKHCNH-SSDOTTSWSA-N 0 3 335.143 1.932 20 5 EDBDHN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107849 593518041 /nfs/dbraw/zinc/51/80/41/593518041.db2.gz QZGPAYQOBYQQLB-LLVKDONJSA-N 0 3 344.389 1.538 20 5 EDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc2ncccc2c1 ZINC000813111168 593518591 /nfs/dbraw/zinc/51/85/91/593518591.db2.gz PNJJWPJZEJJBOL-SNVBAGLBSA-N 0 3 341.327 1.946 20 5 EDBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820091789 593790055 /nfs/dbraw/zinc/79/00/55/593790055.db2.gz AHXDFKINHCSNSC-NSHDSACASA-N 0 3 346.395 1.560 20 5 EDBDHN CC(C)C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820091789 593790056 /nfs/dbraw/zinc/79/00/56/593790056.db2.gz AHXDFKINHCSNSC-NSHDSACASA-N 0 3 346.395 1.560 20 5 EDBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820091789 593790057 /nfs/dbraw/zinc/79/00/57/593790057.db2.gz AHXDFKINHCSNSC-NSHDSACASA-N 0 3 346.395 1.560 20 5 EDBDHN CC(C)C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820091789 593790058 /nfs/dbraw/zinc/79/00/58/593790058.db2.gz AHXDFKINHCSNSC-NSHDSACASA-N 0 3 346.395 1.560 20 5 EDBDHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821623196 593885162 /nfs/dbraw/zinc/88/51/62/593885162.db2.gz GASYWEXKLBFHAY-BXUZGUMPSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821623196 593885164 /nfs/dbraw/zinc/88/51/64/593885164.db2.gz GASYWEXKLBFHAY-BXUZGUMPSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821623196 593885166 /nfs/dbraw/zinc/88/51/66/593885166.db2.gz GASYWEXKLBFHAY-BXUZGUMPSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821623196 593885167 /nfs/dbraw/zinc/88/51/67/593885167.db2.gz GASYWEXKLBFHAY-BXUZGUMPSA-N 0 3 343.391 1.695 20 5 EDBDHN CC[NH+](CC)C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821189641 593986176 /nfs/dbraw/zinc/98/61/76/593986176.db2.gz QYCQKHPBGXHWDH-LBPRGKRZSA-N 0 3 345.407 1.943 20 5 EDBDHN CC[NH+](CC)C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821189641 593986178 /nfs/dbraw/zinc/98/61/78/593986178.db2.gz QYCQKHPBGXHWDH-LBPRGKRZSA-N 0 3 345.407 1.943 20 5 EDBDHN CS[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000826227709 594388247 /nfs/dbraw/zinc/38/82/47/594388247.db2.gz WKWYTYSNKIADIQ-OLZOCXBDSA-N 0 3 349.420 1.257 20 5 EDBDHN CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)CN(C)C ZINC000831777325 594702156 /nfs/dbraw/zinc/70/21/56/594702156.db2.gz WYOFQBLQYQONTJ-LLVKDONJSA-N 0 3 329.784 1.945 20 5 EDBDHN CC(COC(=O)c1ccc(S(=O)(=O)CC2CC2)cc1)[N+](=O)[O-] ZINC000835453889 594829684 /nfs/dbraw/zinc/82/96/84/594829684.db2.gz HVEUDJBIGGSGKM-JTQLQIEISA-N 0 3 327.358 1.692 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000842250991 595055223 /nfs/dbraw/zinc/05/52/23/595055223.db2.gz MPCXCGDHZKMGNQ-CQSZACIVSA-N 0 3 329.784 1.681 20 5 EDBDHN CC([C@H](OC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875564 595085920 /nfs/dbraw/zinc/08/59/20/595085920.db2.gz NOXKNMSNHQDNIQ-HFAKWTLXSA-N 0 3 338.335 1.944 20 5 EDBDHN N=C(COC[C@H]1CCCO1)NOCc1c(F)cccc1[N+](=O)[O-] ZINC000842657312 595160885 /nfs/dbraw/zinc/16/08/85/595160885.db2.gz NVJFNHKAFYCAPB-SNVBAGLBSA-N 0 3 327.312 1.928 20 5 EDBDHN C/C(=C/C(=O)N1CCC[C@@](O)(CN(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000834565275 595163837 /nfs/dbraw/zinc/16/38/37/595163837.db2.gz SOOJUPLKFLWGTP-DEQJRXDXSA-N 0 3 347.415 1.913 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000842878683 595223639 /nfs/dbraw/zinc/22/36/39/595223639.db2.gz OFDFXXYMOCRELD-SECBINFHSA-N 0 3 335.813 1.962 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000844094506 595270563 /nfs/dbraw/zinc/27/05/63/595270563.db2.gz CCIIDGWDYYQINC-DAXSKMNVSA-N 0 3 345.399 1.931 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H](O)c2ccccc2Cl)c1 ZINC000843066269 595279358 /nfs/dbraw/zinc/27/93/58/595279358.db2.gz QFONOSKVCZZLIS-FZMZJTMJSA-N 0 3 340.767 1.129 20 5 EDBDHN CN(C)[C@H]1CCc2ccccc2N(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000857927676 595655927 /nfs/dbraw/zinc/65/59/27/595655927.db2.gz VNDNVAWQAJEARX-ZDUSSCGKSA-N 0 3 343.387 1.852 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860375354 595661719 /nfs/dbraw/zinc/66/17/19/595661719.db2.gz JDDYLXHHSVQJRQ-KRWDZBQOSA-N 0 3 331.372 1.790 20 5 EDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CCCN1CCCO ZINC000868630068 596252651 /nfs/dbraw/zinc/25/26/51/596252651.db2.gz WKLXRCJNRHOBIM-ZDUSSCGKSA-N 0 3 339.367 1.239 20 5 EDBDHN C[C@@](N)(C(=O)N1CCN(C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870862715 596381348 /nfs/dbraw/zinc/38/13/48/596381348.db2.gz VCSUXHCMVJTWIZ-SFHVURJKSA-N 0 3 346.431 1.856 20 5 EDBDHN CN(CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000863503081 596603215 /nfs/dbraw/zinc/60/32/15/596603215.db2.gz XJWUDEFZJONKCG-INIZCTEOSA-N 0 3 332.360 1.456 20 5 EDBDHN CC1(C)CCNCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000872293335 596870446 /nfs/dbraw/zinc/87/04/46/596870446.db2.gz PWJFVFTYKJMBBT-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000120025544 596876757 /nfs/dbraw/zinc/87/67/57/596876757.db2.gz XFVLUAKCACDQCQ-UHFFFAOYSA-N 0 3 348.319 1.513 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000874097918 596927104 /nfs/dbraw/zinc/92/71/04/596927104.db2.gz GNNQXSVPDMNQHE-UHFFFAOYSA-N 0 3 348.403 1.784 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879245261 597863337 /nfs/dbraw/zinc/86/33/37/597863337.db2.gz XCAWDLOLTLDQKC-FUHWJXTLSA-N 0 3 343.383 1.955 20 5 EDBDHN O=C(NCC1CN(Cc2csc([N+](=O)[O-])c2)C1)c1[nH]ncc1F ZINC001031954894 701558025 /nfs/dbraw/zinc/55/80/25/701558025.db2.gz IXXDNXLFUGWBIR-UHFFFAOYSA-N 0 3 339.352 1.380 20 5 EDBDHN COc1ccc(CNCC(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000922737103 704286460 /nfs/dbraw/zinc/28/64/60/704286460.db2.gz ILYLNGPAPXRQOX-UHFFFAOYSA-N 0 3 330.406 1.764 20 5 EDBDHN CC1(C)CCN(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000557669693 306232667 /nfs/dbraw/zinc/23/26/67/306232667.db2.gz KTZATXIKJRTWRH-UHFFFAOYSA-N 0 3 333.388 1.916 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000046947443 138118484 /nfs/dbraw/zinc/11/84/84/138118484.db2.gz VGMKXRXZEXYPOH-CYBMUJFWSA-N 0 3 334.420 1.659 20 5 EDBDHN CCCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124941996 138330947 /nfs/dbraw/zinc/33/09/47/138330947.db2.gz NMTSJGHXJUJEIC-UHFFFAOYSA-N 0 3 335.451 1.975 20 5 EDBDHN C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H](c1ccccc1)N(C)C ZINC000187213953 236148118 /nfs/dbraw/zinc/14/81/18/236148118.db2.gz FWBYKUVIMJDHMX-LRDDRELGSA-N 0 3 331.376 1.599 20 5 EDBDHN COc1ccc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000104747509 204117636 /nfs/dbraw/zinc/11/76/36/204117636.db2.gz WVSHLYAOLMMGFI-NSHDSACASA-N 0 3 343.405 1.176 20 5 EDBDHN CCN1CCCC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000110997032 204330535 /nfs/dbraw/zinc/33/05/35/204330535.db2.gz QGDZXEWPUBNAKJ-CQSZACIVSA-N 0 3 349.387 1.777 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000226461992 139021790 /nfs/dbraw/zinc/02/17/90/139021790.db2.gz NWNDXAKFXPAWLP-SECBINFHSA-N 0 3 333.797 1.669 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@@H]1CCC[NH2+]C1 ZINC000237205608 139044300 /nfs/dbraw/zinc/04/43/00/139044300.db2.gz JIKMSVOUYYGUNQ-NSHDSACASA-N 0 3 343.405 1.271 20 5 EDBDHN CC(C)(C)[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(N)=O ZINC000129057223 205176106 /nfs/dbraw/zinc/17/61/06/205176106.db2.gz WQSKRNKVIWGLTP-CYBMUJFWSA-N 0 3 340.355 1.552 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000129946100 205217760 /nfs/dbraw/zinc/21/77/60/205217760.db2.gz ARGZLNNXLGAISV-LRDDRELGSA-N 0 3 338.408 1.576 20 5 EDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131195403 205277953 /nfs/dbraw/zinc/27/79/53/205277953.db2.gz PYSRYTCQMGKFNN-LBPRGKRZSA-N 0 3 329.422 1.745 20 5 EDBDHN O=C(Nc1cnc2c(c1)CNCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000364140886 284391595 /nfs/dbraw/zinc/39/15/95/284391595.db2.gz PCFBLNJPIAGALD-UHFFFAOYSA-N 0 3 338.327 1.764 20 5 EDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CNCCC1(F)F ZINC000417222083 251147862 /nfs/dbraw/zinc/14/78/62/251147862.db2.gz DZGCEWFELRBWCT-GFCCVEGCSA-N 0 3 328.319 1.434 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000262444847 139279523 /nfs/dbraw/zinc/27/95/23/139279523.db2.gz HFUKFCIGGBZKQS-UWVGGRQHSA-N 0 3 329.378 1.022 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CN1C1CC1 ZINC000177193674 207305597 /nfs/dbraw/zinc/30/55/97/207305597.db2.gz ZIWNDXCQIWACET-YPMHNXCESA-N 0 3 347.371 1.528 20 5 EDBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000179419900 207630554 /nfs/dbraw/zinc/63/05/54/207630554.db2.gz QKBFKYQPAOGVJX-UHFFFAOYSA-N 0 3 347.375 1.087 20 5 EDBDHN COCCn1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000337383107 285191770 /nfs/dbraw/zinc/19/17/70/285191770.db2.gz DUXCLNPSOLQKMX-CABCVRRESA-N 0 3 348.407 1.908 20 5 EDBDHN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CNCCC1(F)F ZINC000493042408 255189280 /nfs/dbraw/zinc/18/92/80/255189280.db2.gz BXJKKJPUYQNYSM-FXMSTWTQSA-N 0 3 329.278 1.861 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@@H]1N(C)C ZINC000270764461 140164431 /nfs/dbraw/zinc/16/44/31/140164431.db2.gz PLUSIYQHCCRPDN-QWHCGFSZSA-N 0 3 338.433 1.603 20 5 EDBDHN NC(=O)c1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000331999754 141108681 /nfs/dbraw/zinc/10/86/81/141108681.db2.gz VJNUOTFZSBBGKJ-IIAWOOMASA-N 0 3 349.387 1.840 20 5 EDBDHN NC(=O)c1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)c([N+](=O)[O-])c1 ZINC000339764949 142149194 /nfs/dbraw/zinc/14/91/94/142149194.db2.gz VNWAGGFBDSAAOP-RDJZCZTQSA-N 0 3 349.387 1.103 20 5 EDBDHN CO[C@@H]1C[C@H](CO)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344704538 143000871 /nfs/dbraw/zinc/00/08/71/143000871.db2.gz HOCKYWXICYTYNR-ZIAGYGMSSA-N 0 3 337.376 1.313 20 5 EDBDHN COc1ccc(NC(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000352882422 149201173 /nfs/dbraw/zinc/20/11/73/149201173.db2.gz IPNZRAGFJOZCBS-UHFFFAOYSA-N 0 3 326.353 1.303 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@H](C)SC)cc1[N+](=O)[O-] ZINC000353212493 149326211 /nfs/dbraw/zinc/32/62/11/149326211.db2.gz XQMGVPCCNYIOJJ-JTQLQIEISA-N 0 3 328.390 1.988 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000355526821 150303652 /nfs/dbraw/zinc/30/36/52/150303652.db2.gz LUVOCDIPBPTOOE-GFCCVEGCSA-N 0 3 336.392 1.839 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357426853 151029739 /nfs/dbraw/zinc/02/97/39/151029739.db2.gz ZWVDMNUDCPTGQV-JSGCOSHPSA-N 0 3 348.403 1.314 20 5 EDBDHN CNc1c(C(=O)NCC2CCN(CCO)CC2)cccc1[N+](=O)[O-] ZINC000360950291 152261358 /nfs/dbraw/zinc/26/13/58/152261358.db2.gz ATUKZBWPZRJQIE-UHFFFAOYSA-N 0 3 336.392 1.071 20 5 EDBDHN CC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C[C@H](C)O ZINC000361265925 152349153 /nfs/dbraw/zinc/34/91/53/152349153.db2.gz LOHGHZHZLPBNRC-STQMWFEESA-N 0 3 347.419 1.748 20 5 EDBDHN CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000363593484 153008800 /nfs/dbraw/zinc/00/88/00/153008800.db2.gz YPRCHDRPVKTNAE-KBPBESRZSA-N 0 3 335.408 1.657 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N3CCCCCC3)C2)n1 ZINC000367396711 154104257 /nfs/dbraw/zinc/10/42/57/154104257.db2.gz MMTAOSXKGMXBKP-ZDUSSCGKSA-N 0 3 335.408 1.809 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1Cn1cncn1 ZINC000371689482 156064382 /nfs/dbraw/zinc/06/43/82/156064382.db2.gz PPBFVGCSTKVLFP-KBPBESRZSA-N 0 3 347.375 1.091 20 5 EDBDHN Cc1nn(C)c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000371962823 156186771 /nfs/dbraw/zinc/18/67/71/156186771.db2.gz NVFADPPGQBWUKG-CQSZACIVSA-N 0 3 336.440 1.241 20 5 EDBDHN CCOC1CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273501701 268053694 /nfs/dbraw/zinc/05/36/94/268053694.db2.gz YVHRDRLVTXTQGJ-UHFFFAOYSA-N 0 3 328.390 1.526 20 5 EDBDHN COC(=O)C[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273106047 273028701 /nfs/dbraw/zinc/02/87/01/273028701.db2.gz FSCMWLIOSWKPSG-OLZOCXBDSA-N 0 3 338.360 1.362 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000275859922 268379042 /nfs/dbraw/zinc/37/90/42/268379042.db2.gz OPOQRDWNVSLPEG-UHFFFAOYSA-N 0 3 334.376 1.442 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1N1CCCC1 ZINC000273456336 273040966 /nfs/dbraw/zinc/04/09/66/273040966.db2.gz DPMUEGCRFOFKKJ-ZYHUDNBSSA-N 0 3 325.390 1.840 20 5 EDBDHN C[C@H]1COCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000277331194 273189376 /nfs/dbraw/zinc/18/93/76/273189376.db2.gz DXBNGOUAJKLABB-VHSXEESVSA-N 0 3 337.332 1.277 20 5 EDBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCC(=O)N[C@@H]2C)cccc1[N+](=O)[O-] ZINC000282044156 273575833 /nfs/dbraw/zinc/57/58/33/273575833.db2.gz ATTIOLGYCWGXRV-NTZNESFSSA-N 0 3 334.376 1.487 20 5 EDBDHN C[C@H](c1ccccc1)[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292101333 289261382 /nfs/dbraw/zinc/26/13/82/289261382.db2.gz GKGJQXCDOSBNQK-JLZZUVOBSA-N 0 3 343.383 1.875 20 5 EDBDHN CN1CC[C@]2(CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292139078 289270921 /nfs/dbraw/zinc/27/09/21/289270921.db2.gz YUNYBWOIDLIUFQ-HNNXBMFYSA-N 0 3 339.417 1.452 20 5 EDBDHN COc1cccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000331299450 295287046 /nfs/dbraw/zinc/28/70/46/295287046.db2.gz UHWXCEOAAYCNFH-DGCLKSJQSA-N 0 3 339.417 1.721 20 5 EDBDHN CSc1cccc(C(=O)NC[C@](C)(O)CCN(C)C)c1[N+](=O)[O-] ZINC000419992170 304722695 /nfs/dbraw/zinc/72/26/95/304722695.db2.gz HOHULQFAFZGTQQ-OAHLLOKOSA-N 0 3 341.433 1.749 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000420036621 304731517 /nfs/dbraw/zinc/73/15/17/304731517.db2.gz JCZNEDFIALZTPX-INIZCTEOSA-N 0 3 335.360 1.774 20 5 EDBDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295087118 303171690 /nfs/dbraw/zinc/17/16/90/303171690.db2.gz BNYUZKOLBFPCGG-QWHCGFSZSA-N 0 3 329.360 1.072 20 5 EDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295530476 303230539 /nfs/dbraw/zinc/23/05/39/303230539.db2.gz VJXHBKUIEJSQQM-SJORKVTESA-N 0 3 335.404 1.769 20 5 EDBDHN C[C@H]1[C@@H](O)CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000296242083 303304006 /nfs/dbraw/zinc/30/40/06/303304006.db2.gz NMQGVGHRSZSOBA-HZMBPMFUSA-N 0 3 325.340 1.908 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000297010329 303353840 /nfs/dbraw/zinc/35/38/40/303353840.db2.gz VMZUUIHECFBUNZ-ZDUSSCGKSA-N 0 3 336.392 1.872 20 5 EDBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000423938915 304919726 /nfs/dbraw/zinc/91/97/26/304919726.db2.gz KRXKVNMJWRPSFL-ZDUSSCGKSA-N 0 3 331.376 1.803 20 5 EDBDHN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CCN1C[C@@H](C)O ZINC000430231208 305048093 /nfs/dbraw/zinc/04/80/93/305048093.db2.gz XMZGNVLFHUYBGX-HIFRSBDPSA-N 0 3 337.420 1.880 20 5 EDBDHN CNC(=O)NC(=O)CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549664 305352868 /nfs/dbraw/zinc/35/28/68/305352868.db2.gz PZPSOXONJJESRG-CYBMUJFWSA-N 0 3 334.376 1.620 20 5 EDBDHN CN(C(=O)CN[C@H]([C@H](CO)C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451611295 305356224 /nfs/dbraw/zinc/35/62/24/305356224.db2.gz OYYRTIPBWWCZSO-AEFFLSMTSA-N 0 3 347.415 1.944 20 5 EDBDHN NC(=O)c1ccc(CN[C@@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000451612444 305356330 /nfs/dbraw/zinc/35/63/30/305356330.db2.gz QDMYWBOWAAFSFQ-GDBMZVCRSA-N 0 3 333.388 1.580 20 5 EDBDHN CCc1cccc2c1OCC[C@@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515234201 305717465 /nfs/dbraw/zinc/71/74/65/305717465.db2.gz BIWBFUFDHOIDOA-ZBFHGGJFSA-N 0 3 346.387 1.828 20 5 EDBDHN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1=CCN(C)CC1 ZINC000543758792 306069749 /nfs/dbraw/zinc/06/97/49/306069749.db2.gz TYWRYNIPHHIUGK-JTQLQIEISA-N 0 3 333.344 1.704 20 5 EDBDHN CN1CCNC[C@@H]1CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414959452 447373621 /nfs/dbraw/zinc/37/36/21/447373621.db2.gz FOOBXLYDVPVGIB-OAHLLOKOSA-N 0 3 330.388 1.848 20 5 EDBDHN COc1cc(CNC[C@@H]2CCOC[C@H]2OC)c([N+](=O)[O-])cc1OC ZINC000449455182 447374355 /nfs/dbraw/zinc/37/43/55/447374355.db2.gz LCBVFLFPYJUZCX-MEDUHNTESA-N 0 3 340.376 1.753 20 5 EDBDHN COc1cc(CNC[C@H]2CCOC[C@H]2OC)c([N+](=O)[O-])cc1OC ZINC000449455180 447374400 /nfs/dbraw/zinc/37/44/00/447374400.db2.gz LCBVFLFPYJUZCX-BDJLRTHQSA-N 0 3 340.376 1.753 20 5 EDBDHN CN(C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000045053450 440943436 /nfs/dbraw/zinc/94/34/36/440943436.db2.gz PPBLFGGQIOXDCE-CQSZACIVSA-N 0 3 331.376 1.080 20 5 EDBDHN COc1cc(OCC(=O)N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000057554630 441122335 /nfs/dbraw/zinc/12/23/35/441122335.db2.gz CTIBUZDDPBOLGG-NSHDSACASA-N 0 3 335.360 1.335 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000107261133 441405424 /nfs/dbraw/zinc/40/54/24/441405424.db2.gz PNNOFSHFWWIYDF-UHFFFAOYSA-N 0 3 346.391 1.085 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)C1CCCCC1 ZINC000065746213 441481130 /nfs/dbraw/zinc/48/11/30/441481130.db2.gz GKKJRFQDSYQTAK-UHFFFAOYSA-N 0 3 337.424 1.823 20 5 EDBDHN CC1CCN(C[C@@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109137235 441489792 /nfs/dbraw/zinc/48/97/92/441489792.db2.gz SMMRKRKKBVWDEI-HNNXBMFYSA-N 0 3 336.392 1.809 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108561080 441464713 /nfs/dbraw/zinc/46/47/13/441464713.db2.gz VNHXSFVGGDILJZ-CQSZACIVSA-N 0 3 348.403 1.887 20 5 EDBDHN CN(C)[C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000109805459 441508237 /nfs/dbraw/zinc/50/82/37/441508237.db2.gz DHWLWIJLDHJWEP-HZPDHXFCSA-N 0 3 332.404 1.726 20 5 EDBDHN CCN1CCN(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000112917881 441567677 /nfs/dbraw/zinc/56/76/77/441567677.db2.gz HLFMINURPOZMPB-UHFFFAOYSA-N 0 3 345.403 1.443 20 5 EDBDHN CN(CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000066924616 441589504 /nfs/dbraw/zinc/58/95/04/441589504.db2.gz UZKFHGHXIYBCGZ-UHFFFAOYSA-N 0 3 329.360 1.605 20 5 EDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000067118767 441606244 /nfs/dbraw/zinc/60/62/44/441606244.db2.gz FFFMVCPBFYWKLR-GFCCVEGCSA-N 0 3 329.422 1.912 20 5 EDBDHN CC(C)C[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015493 441614588 /nfs/dbraw/zinc/61/45/88/441614588.db2.gz XOUBWRWQZAUPAM-GFCCVEGCSA-N 0 3 329.422 1.897 20 5 EDBDHN Cc1sc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000114379774 441650809 /nfs/dbraw/zinc/65/08/09/441650809.db2.gz KOJDUCJYPZDTEE-LLVKDONJSA-N 0 3 340.449 1.578 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000067823438 441683566 /nfs/dbraw/zinc/68/35/66/441683566.db2.gz SGQIQLGPWOTRBK-OAHLLOKOSA-N 0 3 343.387 1.490 20 5 EDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000067864847 441690198 /nfs/dbraw/zinc/69/01/98/441690198.db2.gz DPGKOOVHCBDLID-DGCLKSJQSA-N 0 3 346.387 1.066 20 5 EDBDHN COCCN(C)CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068080521 441724178 /nfs/dbraw/zinc/72/41/78/441724178.db2.gz CUZNDORZAHCSRS-UHFFFAOYSA-N 0 3 335.364 1.169 20 5 EDBDHN CN(C)C(=O)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000068367686 441784559 /nfs/dbraw/zinc/78/45/59/441784559.db2.gz VSOAPAZZACEOTG-UHFFFAOYSA-N 0 3 348.403 1.724 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](CO)C1 ZINC000122201766 441839083 /nfs/dbraw/zinc/83/90/83/441839083.db2.gz WLNJEBVAFBEMRP-GFCCVEGCSA-N 0 3 337.376 1.636 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000159983851 441852995 /nfs/dbraw/zinc/85/29/95/441852995.db2.gz URVIWCXAGQJNJN-GFCCVEGCSA-N 0 3 341.795 1.825 20 5 EDBDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118126745 441890195 /nfs/dbraw/zinc/89/01/95/441890195.db2.gz KGMMMILYCXKUSH-CYBMUJFWSA-N 0 3 348.403 1.832 20 5 EDBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)O1 ZINC000123679232 441894954 /nfs/dbraw/zinc/89/49/54/441894954.db2.gz DEEBJWASRQWVAY-VXGBXAGGSA-N 0 3 325.365 1.807 20 5 EDBDHN COC(=O)c1cc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123699723 441895707 /nfs/dbraw/zinc/89/57/07/441895707.db2.gz GSHQGFJKQMHPEE-SMDDNHRTSA-N 0 3 349.387 1.936 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000146621238 441898816 /nfs/dbraw/zinc/89/88/16/441898816.db2.gz JGGNNZWMVVRNSR-CYBMUJFWSA-N 0 3 339.417 1.762 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000119346036 441929245 /nfs/dbraw/zinc/92/92/45/441929245.db2.gz WMEPAYOLSQTVOS-KBPBESRZSA-N 0 3 335.408 1.433 20 5 EDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150810302 441953974 /nfs/dbraw/zinc/95/39/74/441953974.db2.gz MTEUHPIRIIYJGZ-LLVKDONJSA-N 0 3 345.421 1.612 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000069528969 441964634 /nfs/dbraw/zinc/96/46/34/441964634.db2.gz APDZHIIYVOQFEW-ZDUSSCGKSA-N 0 3 337.376 1.201 20 5 EDBDHN C[C@H]1C[C@@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000175100747 442004995 /nfs/dbraw/zinc/00/49/95/442004995.db2.gz MISRNFOVFJBPPN-JSGCOSHPSA-N 0 3 348.403 1.266 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000151110686 442007587 /nfs/dbraw/zinc/00/75/87/442007587.db2.gz FYFGVYHPYNPQNM-SWLSCSKDSA-N 0 3 348.403 1.266 20 5 EDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](NCc2ccccc2)C1 ZINC000153776571 442302149 /nfs/dbraw/zinc/30/21/49/442302149.db2.gz QXEPUJDXQHUDLD-CYBMUJFWSA-N 0 3 329.360 1.712 20 5 EDBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000153083808 442260430 /nfs/dbraw/zinc/26/04/30/442260430.db2.gz QBJZVZCOOIQDRQ-UHFFFAOYSA-N 0 3 345.403 1.818 20 5 EDBDHN CN(C)Cc1ccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000132937957 442402988 /nfs/dbraw/zinc/40/29/88/442402988.db2.gz QKNAOUXLCMKRHA-UHFFFAOYSA-N 0 3 346.391 1.352 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000172066563 442406144 /nfs/dbraw/zinc/40/61/44/442406144.db2.gz HDPQKLRINGZWDP-GFCCVEGCSA-N 0 3 327.406 1.618 20 5 EDBDHN CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCN(C)CC1 ZINC000180813920 442661451 /nfs/dbraw/zinc/66/14/51/442661451.db2.gz PCVZZPOYQQYIGP-MRXNPFEDSA-N 0 3 346.387 1.640 20 5 EDBDHN COC(=O)CCN1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000182114012 442737110 /nfs/dbraw/zinc/73/71/10/442737110.db2.gz BHALGYULGYUWQS-AWEZNQCLSA-N 0 3 335.404 1.707 20 5 EDBDHN CCN(CC)CC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000193847752 442798001 /nfs/dbraw/zinc/79/80/01/442798001.db2.gz ROHWNQHOVYZMMN-UHFFFAOYSA-N 0 3 339.392 1.613 20 5 EDBDHN COCCN1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265558402 442823632 /nfs/dbraw/zinc/82/36/32/442823632.db2.gz LLXCVZFKHOTAHB-LBPRGKRZSA-N 0 3 341.795 1.628 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183003609 442863140 /nfs/dbraw/zinc/86/31/40/442863140.db2.gz MHRNAANHFVXWDE-BLLLJJGKSA-N 0 3 346.387 1.640 20 5 EDBDHN Cc1nn(CCC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000268191135 442891808 /nfs/dbraw/zinc/89/18/08/442891808.db2.gz HSCLEPPPVSXKQM-HZMBPMFUSA-N 0 3 335.408 1.397 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc2c(c1)C[NH2+]C2 ZINC000189212015 442898650 /nfs/dbraw/zinc/89/86/50/442898650.db2.gz XBLWFYIMVDOFEE-UHFFFAOYSA-N 0 3 333.369 1.677 20 5 EDBDHN CN(C)C[C@@H]1CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268220505 442906078 /nfs/dbraw/zinc/90/60/78/442906078.db2.gz WQAQHDQDJJEQSC-HNNXBMFYSA-N 0 3 348.403 1.267 20 5 EDBDHN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000182322771 318503853 /nfs/dbraw/zinc/50/38/53/318503853.db2.gz QNWNCIGIKWWANN-HUUCEWRRSA-N 0 3 342.417 1.916 20 5 EDBDHN O=[N+]([O-])c1cnn(CCNCc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189313048 442918996 /nfs/dbraw/zinc/91/89/96/442918996.db2.gz YRBZMLPUDXRSLW-UHFFFAOYSA-N 0 3 344.350 1.965 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000268306751 442941336 /nfs/dbraw/zinc/94/13/36/442941336.db2.gz YHCXJGIUEZLKFY-DGCLKSJQSA-N 0 3 327.406 1.474 20 5 EDBDHN CCN(C)C(=O)[C@H](C)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000189406614 442943277 /nfs/dbraw/zinc/94/32/77/442943277.db2.gz UYOUORDNIBIMOZ-NEPJUHHUSA-N 0 3 336.392 1.768 20 5 EDBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000249095059 442950852 /nfs/dbraw/zinc/95/08/52/442950852.db2.gz FMLBLBLPOYZGJQ-SCRDCRAPSA-N 0 3 348.403 1.864 20 5 EDBDHN COc1ccc([C@@H](C)N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266401738 443117080 /nfs/dbraw/zinc/11/70/80/443117080.db2.gz FAAAXDRRYLNXFH-DOMZBBRYSA-N 0 3 334.376 1.854 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCN(C)C(C)C ZINC000411246741 319174177 /nfs/dbraw/zinc/17/41/77/319174177.db2.gz SCPCARBWJGZWBT-UHFFFAOYSA-N 0 3 336.392 1.607 20 5 EDBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc([S@](C)=O)cc1 ZINC000272899909 443484234 /nfs/dbraw/zinc/48/42/34/443484234.db2.gz GBFQAOGYSFKTOE-MCFWBGNESA-N 0 3 349.412 1.845 20 5 EDBDHN COCC[C@](C)(O)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000265202357 443568334 /nfs/dbraw/zinc/56/83/34/443568334.db2.gz BBFLBVLWPXQHFH-HNNXBMFYSA-N 0 3 328.365 1.489 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000440804153 320080554 /nfs/dbraw/zinc/08/05/54/320080554.db2.gz DINCCTOILVFWFJ-GFCCVEGCSA-N 0 3 327.406 1.632 20 5 EDBDHN CC(C)[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000487983554 320357083 /nfs/dbraw/zinc/35/70/83/320357083.db2.gz VVWSKDHHNBAOCP-GDBMZVCRSA-N 0 3 337.420 1.607 20 5 EDBDHN CN1CC[C@@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000286296121 443684885 /nfs/dbraw/zinc/68/48/85/443684885.db2.gz VJXASWBHTALGPA-MNOVXSKESA-N 0 3 335.389 1.509 20 5 EDBDHN CC(C)N(CCOCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000283691286 443690578 /nfs/dbraw/zinc/69/05/78/443690578.db2.gz ITQAGRHUPGXMLL-OAHLLOKOSA-N 0 3 342.392 1.054 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000299395401 444036308 /nfs/dbraw/zinc/03/63/08/444036308.db2.gz ULJGMLRBQIHUKS-GXTWGEPZSA-N 0 3 348.403 1.687 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293473032 444027381 /nfs/dbraw/zinc/02/73/81/444027381.db2.gz KPVRXMJAXOJLRY-CYBMUJFWSA-N 0 3 349.309 1.656 20 5 EDBDHN Cc1ccc(CN2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000289209668 444077566 /nfs/dbraw/zinc/07/75/66/444077566.db2.gz BWDRJKQETUCXFU-DYVFJYSZSA-N 0 3 346.387 1.856 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCCNCc2cccnc2)n1 ZINC000563104871 321096230 /nfs/dbraw/zinc/09/62/30/321096230.db2.gz LXNVKPAYNPTVOG-UHFFFAOYSA-N 0 3 332.364 1.116 20 5 EDBDHN Cc1cnc(CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])nc1 ZINC000571670916 321396143 /nfs/dbraw/zinc/39/61/43/321396143.db2.gz LFNYSDQPSQQAGO-UHFFFAOYSA-N 0 3 329.360 1.854 20 5 EDBDHN C[C@@H]1C[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000296238037 444214897 /nfs/dbraw/zinc/21/48/97/444214897.db2.gz CNRLPFVSPIXJHW-JTNHKYCSSA-N 0 3 343.405 1.029 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000290327227 444267948 /nfs/dbraw/zinc/26/79/48/444267948.db2.gz WDISNYUCHVFKJL-ZDUSSCGKSA-N 0 3 334.376 1.258 20 5 EDBDHN Cc1ccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000296393328 444225816 /nfs/dbraw/zinc/22/58/16/444225816.db2.gz SZVLEDGGTFNCSP-CQSZACIVSA-N 0 3 336.392 1.872 20 5 EDBDHN Cc1cnn([C@@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289986936 444227440 /nfs/dbraw/zinc/22/74/40/444227440.db2.gz SBWDAUMKUZLBRL-HUUCEWRRSA-N 0 3 346.387 1.786 20 5 EDBDHN CN(CCNc1nccc(C(N)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000290648279 444305971 /nfs/dbraw/zinc/30/59/71/444305971.db2.gz OOGYXUKYAKTHDK-UHFFFAOYSA-N 0 3 329.360 1.633 20 5 EDBDHN C[C@H]1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000305744924 444277267 /nfs/dbraw/zinc/27/72/67/444277267.db2.gz UWTOXJCMOHORES-SWLSCSKDSA-N 0 3 349.387 1.986 20 5 EDBDHN C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297726932 444324723 /nfs/dbraw/zinc/32/47/23/444324723.db2.gz SVLXATUOXYLUDD-WFASDCNBSA-N 0 3 336.392 1.628 20 5 EDBDHN CN(C)C[C@H]1CCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000340580655 444449134 /nfs/dbraw/zinc/44/91/34/444449134.db2.gz IVPONNDHJGLZQF-OAHLLOKOSA-N 0 3 343.387 1.947 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CO)CC2CCC2)cc1 ZINC000581131615 322140247 /nfs/dbraw/zinc/14/02/47/322140247.db2.gz MKYXDHRTPAHNTG-ZDUSSCGKSA-N 0 3 342.417 1.509 20 5 EDBDHN CCCN1CCC[C@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000344001994 444720524 /nfs/dbraw/zinc/72/05/24/444720524.db2.gz UCODQHMNANRCLE-LBPRGKRZSA-N 0 3 336.392 2.371 20 5 EDBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000342627296 444785004 /nfs/dbraw/zinc/78/50/04/444785004.db2.gz OYXDGBUYPPHQHF-ZDUSSCGKSA-N 0 3 347.375 1.370 20 5 EDBDHN CCNc1ccc(C(=O)Nc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000338648774 444791241 /nfs/dbraw/zinc/79/12/41/444791241.db2.gz ZFRPEFLZKKSNNX-UHFFFAOYSA-N 0 3 346.391 2.037 20 5 EDBDHN C[C@H](Cn1cccn1)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344447548 444978342 /nfs/dbraw/zinc/97/83/42/444978342.db2.gz LLYNWCDIYSJZLY-DOMZBBRYSA-N 0 3 329.360 1.575 20 5 EDBDHN CCN1C[C@@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330596125 445053063 /nfs/dbraw/zinc/05/30/63/445053063.db2.gz XYMKZEFTDIUXBM-ZIAGYGMSSA-N 0 3 334.420 1.972 20 5 EDBDHN CCNC(=O)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000339319410 445131729 /nfs/dbraw/zinc/13/17/29/445131729.db2.gz GAPXSHYDHWXHPA-DOMZBBRYSA-N 0 3 339.392 1.085 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@]3(C2)CCCOC3)c1 ZINC000341981032 445106986 /nfs/dbraw/zinc/10/69/86/445106986.db2.gz DPBQYBCPYJGYKD-NVXWUHKLSA-N 0 3 336.388 1.837 20 5 EDBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000330871121 445174577 /nfs/dbraw/zinc/17/45/77/445174577.db2.gz QWZBTMFUBAIXKJ-LBPRGKRZSA-N 0 3 327.406 1.605 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330810177 445149839 /nfs/dbraw/zinc/14/98/39/445149839.db2.gz OCWRAPSTNGQYEX-GXTWGEPZSA-N 0 3 348.403 1.232 20 5 EDBDHN C[C@@H]1[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCN1C ZINC000343483386 445231553 /nfs/dbraw/zinc/23/15/53/445231553.db2.gz DRFZTRLVBUGIHE-TZMCWYRMSA-N 0 3 343.387 1.993 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343624862 445268287 /nfs/dbraw/zinc/26/82/87/445268287.db2.gz MTVAEBUATOWVFS-BXUZGUMPSA-N 0 3 336.392 1.885 20 5 EDBDHN Cc1cc(NC2CCN(CCC(=O)N(C)C)CC2)ncc1[N+](=O)[O-] ZINC000348184254 445308959 /nfs/dbraw/zinc/30/89/59/445308959.db2.gz UEPUMRNVXWCWGA-UHFFFAOYSA-N 0 3 335.408 1.653 20 5 EDBDHN CN(C)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000359810264 445440106 /nfs/dbraw/zinc/44/01/06/445440106.db2.gz UCGOBLGVACPGRY-CQSZACIVSA-N 0 3 335.339 1.350 20 5 EDBDHN NCc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc(C(F)(F)F)c1 ZINC000362582690 445450042 /nfs/dbraw/zinc/45/00/42/445450042.db2.gz AXWHWVDPXIULQD-UHFFFAOYSA-N 0 3 344.253 1.303 20 5 EDBDHN CN(CCCNC(=O)c1cc([N+](=O)[O-])nn1C)Cc1ccccc1 ZINC000356498281 445823846 /nfs/dbraw/zinc/82/38/46/445823846.db2.gz PXGBWWKTMBZIAC-UHFFFAOYSA-N 0 3 331.376 1.580 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000356457736 445800860 /nfs/dbraw/zinc/80/08/60/445800860.db2.gz KOOZIHKTEKFMOK-UHFFFAOYSA-N 0 3 347.375 1.658 20 5 EDBDHN CN1CCC[C@H](N2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369360880 446102134 /nfs/dbraw/zinc/10/21/34/446102134.db2.gz YYCIPVNKNSMKEC-KRWDZBQOSA-N 0 3 348.447 1.685 20 5 EDBDHN CCc1n[nH]c(C(=O)NCC2(SC)CCN(C)CC2)c1[N+](=O)[O-] ZINC000359266602 446102736 /nfs/dbraw/zinc/10/27/36/446102736.db2.gz GRKTXJKSRYVQJI-UHFFFAOYSA-N 0 3 341.437 1.438 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000370416175 446268842 /nfs/dbraw/zinc/26/88/42/446268842.db2.gz XJJCFWASDQLBPQ-UHFFFAOYSA-N 0 3 336.392 1.217 20 5 EDBDHN CCOC(=O)c1cc(N2CCNC[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000420256088 446435356 /nfs/dbraw/zinc/43/53/56/446435356.db2.gz CGHYLSFMRDBJNU-OAHLLOKOSA-N 0 3 325.340 1.909 20 5 EDBDHN COC[C@@H]1C[C@@H](OC)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411703398 446652320 /nfs/dbraw/zinc/65/23/20/446652320.db2.gz WZUCQLVKCJEEJV-LSDHHAIUSA-N 0 3 337.376 1.659 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCC[NH2+]C2CC2)c1[N+](=O)[O-] ZINC000420444839 446621689 /nfs/dbraw/zinc/62/16/89/446621689.db2.gz DJHZEWPAMUIBKA-UHFFFAOYSA-N 0 3 327.406 1.632 20 5 EDBDHN Cc1cc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000368390885 446833527 /nfs/dbraw/zinc/83/35/27/446833527.db2.gz UGWKQJQDBUNDQE-KGLIPLIRSA-N 0 3 334.376 1.888 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000371545725 446925695 /nfs/dbraw/zinc/92/56/95/446925695.db2.gz JDFOTTPWIUZTII-ZFWWWQNUSA-N 0 3 347.371 1.339 20 5 EDBDHN COc1ccc(NC(=O)CCN2C[C@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000421011529 446985205 /nfs/dbraw/zinc/98/52/05/446985205.db2.gz JCZVRFZIYDKSPW-VXGBXAGGSA-N 0 3 337.376 1.777 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000421699018 447220770 /nfs/dbraw/zinc/22/07/70/447220770.db2.gz AAFQZOICSWQNBP-CQSZACIVSA-N 0 3 344.375 1.342 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2CCCO)n1 ZINC000450597491 447535048 /nfs/dbraw/zinc/53/50/48/447535048.db2.gz OXYLYGHBRQIXJO-NSHDSACASA-N 0 3 338.364 1.035 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H](O)Cn3ccnn3)o2)c1 ZINC000459694821 447741690 /nfs/dbraw/zinc/74/16/90/447741690.db2.gz KGJDTBPKTGIFMY-AWEZNQCLSA-N 0 3 343.343 1.597 20 5 EDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000525536236 448003966 /nfs/dbraw/zinc/00/39/66/448003966.db2.gz MYKYSUHVJCCVNX-ZYHUDNBSSA-N 0 3 335.360 1.736 20 5 EDBDHN CN(CCCN(C)C(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccncc1 ZINC000556932851 448173188 /nfs/dbraw/zinc/17/31/88/448173188.db2.gz CUMZTSRRGOBZPS-UHFFFAOYSA-N 0 3 332.364 1.307 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000591028757 448239406 /nfs/dbraw/zinc/23/94/06/448239406.db2.gz DWZKTWWRMZTIPJ-SWLSCSKDSA-N 0 3 346.387 1.313 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492651582 448244244 /nfs/dbraw/zinc/24/42/44/448244244.db2.gz UMIDKJWNDYIFKD-XHPSBEMXSA-N 0 3 346.431 1.750 20 5 EDBDHN CC[C@@H](C)Oc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000577723086 448368379 /nfs/dbraw/zinc/36/83/79/448368379.db2.gz FAZNREFSOATILK-IUODEOHRSA-N 0 3 349.391 1.514 20 5 EDBDHN CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](CN)C1 ZINC000516059232 448374319 /nfs/dbraw/zinc/37/43/19/448374319.db2.gz CRYGTTJIAKYHJD-LBPRGKRZSA-N 0 3 334.401 1.524 20 5 EDBDHN C[C@@H]1CCN(CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000535042183 448479380 /nfs/dbraw/zinc/47/93/80/448479380.db2.gz UZISRVXSRISMGR-CYBMUJFWSA-N 0 3 341.433 1.399 20 5 EDBDHN CCC(CC)[C@H](O)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516867365 448486195 /nfs/dbraw/zinc/48/61/95/448486195.db2.gz UEKGRUUGFPDHIJ-OAHLLOKOSA-N 0 3 344.433 1.755 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2N2CCCC2)c1 ZINC000591727966 448473459 /nfs/dbraw/zinc/47/34/59/448473459.db2.gz QVJAIBUGUWMNCL-INIZCTEOSA-N 0 3 345.403 1.542 20 5 EDBDHN CC1(C)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000584390787 448505884 /nfs/dbraw/zinc/50/58/84/448505884.db2.gz SCWIOOGDBHDEMX-CQSZACIVSA-N 0 3 335.360 1.596 20 5 EDBDHN CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000579854730 448897568 /nfs/dbraw/zinc/89/75/68/448897568.db2.gz JUFBYYHEFKLSPQ-OAHLLOKOSA-N 0 3 337.424 1.103 20 5 EDBDHN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)NCCN(C)C ZINC000574651677 448926326 /nfs/dbraw/zinc/92/63/26/448926326.db2.gz SPUZBHKRFGXFAV-SNVBAGLBSA-N 0 3 348.359 1.137 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589508360 449027342 /nfs/dbraw/zinc/02/73/42/449027342.db2.gz JIYVQVJEJDCFGU-OLZOCXBDSA-N 0 3 335.360 1.386 20 5 EDBDHN C[C@H](CS(C)(=O)=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575213859 449062885 /nfs/dbraw/zinc/06/28/85/449062885.db2.gz NTKZCQCYGVVJAP-SNVBAGLBSA-N 0 3 325.390 1.641 20 5 EDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593596269 449097024 /nfs/dbraw/zinc/09/70/24/449097024.db2.gz ZVGPVCXEPHCPOJ-AAEUAGOBSA-N 0 3 340.405 1.237 20 5 EDBDHN CC(C)(NC[C@H](O)COC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000590020178 449098405 /nfs/dbraw/zinc/09/84/05/449098405.db2.gz MNTIPHWIQMWRRN-KBPBESRZSA-N 0 3 338.404 1.976 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590047139 449101164 /nfs/dbraw/zinc/10/11/64/449101164.db2.gz UHDYXPKDQMTQCS-ZYHUDNBSSA-N 0 3 341.314 1.972 20 5 EDBDHN CC(C)(C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000599939953 449117946 /nfs/dbraw/zinc/11/79/46/449117946.db2.gz KADRAETYFMQNSU-UONOGXRCSA-N 0 3 347.415 1.540 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590281838 449124229 /nfs/dbraw/zinc/12/42/29/449124229.db2.gz SEDABKKRSXXLOV-SWLSCSKDSA-N 0 3 346.387 1.258 20 5 EDBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)[C@@H]2C1 ZINC000590442371 449163792 /nfs/dbraw/zinc/16/37/92/449163792.db2.gz FYCLISYQHSFZHO-GXFFZTMASA-N 0 3 333.344 1.142 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000590444163 449165579 /nfs/dbraw/zinc/16/55/79/449165579.db2.gz LSLCEARHWJYNOX-OTYXRUKQSA-N 0 3 325.315 1.578 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000597926339 449144649 /nfs/dbraw/zinc/14/46/49/449144649.db2.gz YXTGBTXATVGRGG-CYBMUJFWSA-N 0 3 349.387 1.984 20 5 EDBDHN Cc1cc([N+](=O)[O-])cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)c1=O ZINC000601956639 449243872 /nfs/dbraw/zinc/24/38/72/449243872.db2.gz CHWHYVBJASNBCQ-GOSISDBHSA-N 0 3 343.383 1.702 20 5 EDBDHN O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1(NC2CC2)CCC1 ZINC000595928482 449258247 /nfs/dbraw/zinc/25/82/47/449258247.db2.gz HKTNGILRMMGIQF-UHFFFAOYSA-N 0 3 344.415 1.918 20 5 EDBDHN CN(C)CCN1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1=O ZINC000593485989 449305205 /nfs/dbraw/zinc/30/52/05/449305205.db2.gz FLAJBQNACYNSKV-UHFFFAOYSA-N 0 3 343.387 1.353 20 5 EDBDHN CS[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000593562638 449352584 /nfs/dbraw/zinc/35/25/84/449352584.db2.gz WBMOBFSVSSCFDJ-KGLIPLIRSA-N 0 3 341.408 1.780 20 5 EDBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000594025441 449330708 /nfs/dbraw/zinc/33/07/08/449330708.db2.gz LSGYTLMTAPROQI-QWHCGFSZSA-N 0 3 345.321 1.864 20 5 EDBDHN CCN1CCN([C@H](C)CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702487 449388552 /nfs/dbraw/zinc/38/85/52/449388552.db2.gz UIYZHDBEMXDACL-CYBMUJFWSA-N 0 3 344.419 1.976 20 5 EDBDHN CC[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C[C@H](C)N1 ZINC000598536205 449451555 /nfs/dbraw/zinc/45/15/55/449451555.db2.gz OOJIKMLDHBHPQP-NWDGAFQWSA-N 0 3 337.376 1.581 20 5 EDBDHN O=[N+]([O-])c1c(NC[C@H]2CCN(C3CC3)C2)ncnc1N1CCOCC1 ZINC000598587636 449478168 /nfs/dbraw/zinc/47/81/68/449478168.db2.gz UBIVQIWGFWNEJS-GFCCVEGCSA-N 0 3 348.407 1.118 20 5 EDBDHN O=[N+]([O-])c1ccc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)nc1 ZINC000596425517 449496889 /nfs/dbraw/zinc/49/68/89/449496889.db2.gz ZIPJYIWIOAXSRL-MRXNPFEDSA-N 0 3 328.372 2.169 20 5 EDBDHN O=[N+]([O-])c1cnc(NCc2ccc(CN3CC[C@H](O)C3)cc2)s1 ZINC000596425500 449497496 /nfs/dbraw/zinc/49/74/96/449497496.db2.gz ZCUVPWGKKQAXJG-ZDUSSCGKSA-N 0 3 334.401 2.230 20 5 EDBDHN COC(=O)c1ccnc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000598624792 449501943 /nfs/dbraw/zinc/50/19/43/449501943.db2.gz HGYRLIQPKSEWNE-RYUDHWBXSA-N 0 3 334.376 1.839 20 5 EDBDHN NC[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000594523946 449561315 /nfs/dbraw/zinc/56/13/15/449561315.db2.gz FOIARHRPCMDZRS-LLVKDONJSA-N 0 3 348.281 1.257 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCOCC1 ZINC000602830937 449841766 /nfs/dbraw/zinc/84/17/66/449841766.db2.gz MLDAVJSZXJPCDQ-HNNXBMFYSA-N 0 3 338.404 1.362 20 5 EDBDHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597207465 449870757 /nfs/dbraw/zinc/87/07/57/449870757.db2.gz XZDPNVOGFIFTLL-UHFFFAOYSA-N 0 3 342.827 1.700 20 5 EDBDHN CN1CCCC[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000599415409 449960445 /nfs/dbraw/zinc/96/04/45/449960445.db2.gz OGXSQIAGJGVGNS-ZDUSSCGKSA-N 0 3 341.433 1.746 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)cc1C ZINC000615293324 450050721 /nfs/dbraw/zinc/05/07/21/450050721.db2.gz DULVICSSIQZOKY-CHWSQXEVSA-N 0 3 341.433 1.973 20 5 EDBDHN COc1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609572558 450055501 /nfs/dbraw/zinc/05/55/01/450055501.db2.gz CXJFMMTZVKRHSX-ZBFHGGJFSA-N 0 3 335.404 1.634 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000597573588 450116869 /nfs/dbraw/zinc/11/68/69/450116869.db2.gz FXKARUHHRIJFEO-SFHVURJKSA-N 0 3 349.431 1.788 20 5 EDBDHN COc1c(C(=O)N2CCC[C@](O)(CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000597573637 450117605 /nfs/dbraw/zinc/11/76/05/450117605.db2.gz HEUHEEPMOIXONW-INIZCTEOSA-N 0 3 337.376 1.132 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c1 ZINC000610447424 450222180 /nfs/dbraw/zinc/22/21/80/450222180.db2.gz GVZKXLROYZNCPF-GASCZTMLSA-N 0 3 327.388 1.860 20 5 EDBDHN Cc1nc(N[C@H]2CCCN(CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000603421778 450293637 /nfs/dbraw/zinc/29/36/37/450293637.db2.gz CDNQTHIOXPFZPS-HNNXBMFYSA-N 0 3 349.435 1.507 20 5 EDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000619481585 450485784 /nfs/dbraw/zinc/48/57/84/450485784.db2.gz IYVYKLCVHDESGA-CQSZACIVSA-N 0 3 336.440 1.336 20 5 EDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc([S@](C)=O)cc1 ZINC000272899915 518178163 /nfs/dbraw/zinc/17/81/63/518178163.db2.gz GBFQAOGYSFKTOE-YYUOZPCZSA-N 0 3 349.412 1.845 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc2c(c1)CNC2 ZINC000188696423 527089947 /nfs/dbraw/zinc/08/99/47/527089947.db2.gz KFVMFKNRFZVUNF-UHFFFAOYSA-N 0 3 329.360 1.409 20 5 EDBDHN CCOC1CC(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000271776085 535759949 /nfs/dbraw/zinc/75/99/49/535759949.db2.gz GBQYIMCQGXXXGP-UHFFFAOYSA-N 0 3 343.405 1.030 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000353776028 536476462 /nfs/dbraw/zinc/47/64/62/536476462.db2.gz JUXDQGOXQXMDAS-LLVKDONJSA-N 0 3 326.374 1.742 20 5 EDBDHN COC(=O)COc1ccc(CN[C@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000353208102 536477196 /nfs/dbraw/zinc/47/71/96/536477196.db2.gz JSLUTDXLKFXFOL-BDJLRTHQSA-N 0 3 338.360 1.804 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)N(C)C1 ZINC000346700729 536778657 /nfs/dbraw/zinc/77/86/57/536778657.db2.gz QTFPGXVQBCESMW-KBPBESRZSA-N 0 3 339.367 1.454 20 5 EDBDHN CC(C)[C@@H](CN(C)C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000743587915 579484665 /nfs/dbraw/zinc/48/46/65/579484665.db2.gz UFKJRBQVGDSUQI-CQSZACIVSA-N 0 3 336.392 1.027 20 5 EDBDHN CN(CCCNC(=O)C1CCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759998695 580021285 /nfs/dbraw/zinc/02/12/85/580021285.db2.gz IXRARTYBSYBURM-INIZCTEOSA-N 0 3 335.404 1.866 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(CN3CCOCC3)CC2)cc1 ZINC000776578706 580421933 /nfs/dbraw/zinc/42/19/33/580421933.db2.gz IKOYGBOHRNHLCT-GOSISDBHSA-N 0 3 349.431 1.672 20 5 EDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781951644 580561167 /nfs/dbraw/zinc/56/11/67/580561167.db2.gz ZQUVLLRXKIRXNC-BZNIZROVSA-N 0 3 344.371 1.441 20 5 EDBDHN CN(CCCN1CCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000798464590 580998327 /nfs/dbraw/zinc/99/83/27/580998327.db2.gz ROAXJNLHMVXHJU-UHFFFAOYSA-N 0 3 333.435 1.763 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801880904 581087137 /nfs/dbraw/zinc/08/71/37/581087137.db2.gz YUEAHBTWLSQVAR-JTQLQIEISA-N 0 3 340.355 1.157 20 5 EDBDHN CNC(=O)CN1CCC(NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892560298 591072179 /nfs/dbraw/zinc/07/21/79/591072179.db2.gz FYNRADHZOKSPBA-UHFFFAOYSA-N 0 3 340.811 1.548 20 5 EDBDHN CC(=O)N1CCN(CCNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892570085 591076398 /nfs/dbraw/zinc/07/63/98/591076398.db2.gz JNOYXSCYQKKKRF-UHFFFAOYSA-N 0 3 340.811 1.502 20 5 EDBDHN Cc1ccc(CNC(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000896219685 591391939 /nfs/dbraw/zinc/39/19/39/591391939.db2.gz GOLZJPFKKICYQK-PBHICJAKSA-N 0 3 332.404 1.996 20 5 EDBDHN C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CNC2CCN(C)CC2)nn1 ZINC000900534518 592049879 /nfs/dbraw/zinc/04/98/79/592049879.db2.gz GUZNLEXLNHUPHU-CYBMUJFWSA-N 0 3 344.419 1.979 20 5 EDBDHN O=C(NCCCNCC[N+](=O)[O-])c1ccc(Br)cc1 ZINC000905089557 592392826 /nfs/dbraw/zinc/39/28/26/592392826.db2.gz NWFKHZPWDKGRDS-UHFFFAOYSA-N 0 3 330.182 1.435 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)[C@@H]2C1 ZINC000908346729 592455005 /nfs/dbraw/zinc/45/50/05/592455005.db2.gz HTYUNCMBMSSOML-DGCLKSJQSA-N 0 3 347.371 1.532 20 5 EDBDHN CC(C)(C)OC(=O)N1C[C@H](NCC[N+](=O)[O-])CC2(CCOCC2)C1 ZINC000905509797 592548429 /nfs/dbraw/zinc/54/84/29/592548429.db2.gz RBWWGDWXDLJOHW-CYBMUJFWSA-N 0 3 343.424 1.659 20 5 EDBDHN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(C)CCN(C)C1 ZINC000909021730 592715211 /nfs/dbraw/zinc/71/52/11/592715211.db2.gz ZUTJXGVFEWOQBP-UHFFFAOYSA-N 0 3 349.435 1.847 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000839606632 593348481 /nfs/dbraw/zinc/34/84/81/593348481.db2.gz QXDRMJSJPOYAMX-LTIDMASMSA-N 0 3 345.399 1.678 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809916325 593372338 /nfs/dbraw/zinc/37/23/38/593372338.db2.gz ZHHVCEMNNMISIK-CYBMUJFWSA-N 0 3 328.756 1.436 20 5 EDBDHN CC(C)CNS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102899 593517371 /nfs/dbraw/zinc/51/73/71/593517371.db2.gz LBUXNGOBXJCHFL-NSHDSACASA-N 0 3 344.389 1.443 20 5 EDBDHN CCOc1ccccc1[C@H](CC(=O)OCC(C)[N+](=O)[O-])NC(C)=O ZINC000813103953 593517810 /nfs/dbraw/zinc/51/78/10/593517810.db2.gz VFDNYWWTWPEUKL-FZMZJTMJSA-N 0 3 338.360 1.861 20 5 EDBDHN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108232 593518154 /nfs/dbraw/zinc/51/81/54/593518154.db2.gz WISUSQQGOLQUBK-JSGCOSHPSA-N 0 3 337.376 1.719 20 5 EDBDHN CCCCN1C(=O)c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2C1=O ZINC000813109918 593518429 /nfs/dbraw/zinc/51/84/29/593518429.db2.gz XMXNSYQPMRRLEE-JTQLQIEISA-N 0 3 334.328 1.905 20 5 EDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[N+](=O)[O-] ZINC000813109673 593518516 /nfs/dbraw/zinc/51/85/16/593518516.db2.gz VNRGMWDQQXOLNW-IUCAKERBSA-N 0 3 341.276 1.001 20 5 EDBDHN CC(COC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813113485 593518866 /nfs/dbraw/zinc/51/88/66/593518866.db2.gz QRLRDRQANMLOTO-SECBINFHSA-N 0 3 334.288 1.817 20 5 EDBDHN CCOc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813115288 593518868 /nfs/dbraw/zinc/51/88/68/593518868.db2.gz OIZNXVBQQAAJNG-NEPJUHHUSA-N 0 3 336.344 1.647 20 5 EDBDHN CC(COC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)[N+](=O)[O-] ZINC000813112516 593518890 /nfs/dbraw/zinc/51/88/90/593518890.db2.gz ROZMZHYNBUQEAR-MRVPVSSYSA-N 0 3 327.724 1.692 20 5 EDBDHN Cc1c(C(=O)N2CCNCC2(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818524379 593702531 /nfs/dbraw/zinc/70/25/31/593702531.db2.gz JLOFKBHHQAGARG-UHFFFAOYSA-N 0 3 336.348 1.944 20 5 EDBDHN CC1(O)CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819132304 593740562 /nfs/dbraw/zinc/74/05/62/593740562.db2.gz AJBRPECWHBKQEO-UHFFFAOYSA-N 0 3 342.417 1.652 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000819230383 593745838 /nfs/dbraw/zinc/74/58/38/593745838.db2.gz VCVYHDJLFHMLQP-MWDXBVQZSA-N 0 3 336.388 1.944 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000823961560 593895258 /nfs/dbraw/zinc/89/52/58/593895258.db2.gz HAXVZWNWHYXYAC-UHFFFAOYSA-N 0 3 333.352 1.579 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000823193590 594167815 /nfs/dbraw/zinc/16/78/15/594167815.db2.gz UOWZMHSGEWJSKZ-IXDOHACOSA-N 0 3 347.415 1.661 20 5 EDBDHN CN1CCC2(CCCN2C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000828249085 594374595 /nfs/dbraw/zinc/37/45/95/594374595.db2.gz VWACVSUWBKKWQH-HNNXBMFYSA-N 0 3 333.388 1.715 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000826677514 594553219 /nfs/dbraw/zinc/55/32/19/594553219.db2.gz NAQCERAYHPWCBO-JTQLQIEISA-N 0 3 349.416 1.761 20 5 EDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831416058 594626644 /nfs/dbraw/zinc/62/66/44/594626644.db2.gz KHFOJWYASHXERO-CABCVRRESA-N 0 3 335.404 1.865 20 5 EDBDHN CC(C)CN(CC1CCN(C)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000829572890 594643197 /nfs/dbraw/zinc/64/31/97/594643197.db2.gz BAWFZDLPWXLLJT-UHFFFAOYSA-N 0 3 338.412 1.013 20 5 EDBDHN CCO[C@H](CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])CN(C)C ZINC000831707492 594694595 /nfs/dbraw/zinc/69/45/95/594694595.db2.gz GHRIZFKBTVCVOO-LLVKDONJSA-N 0 3 327.356 1.739 20 5 EDBDHN CCO[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])CN(C)C ZINC000831719383 594695954 /nfs/dbraw/zinc/69/59/54/594695954.db2.gz RLBXLZZNOVAZBC-ZDUSSCGKSA-N 0 3 337.420 1.955 20 5 EDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(F)c1F ZINC000832117296 594727552 /nfs/dbraw/zinc/72/75/52/594727552.db2.gz VVXNUNASPIUWJE-UHFFFAOYSA-N 0 3 338.332 1.923 20 5 EDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832400672 594747740 /nfs/dbraw/zinc/74/77/40/594747740.db2.gz MPMYTRKKUMGDQN-WQVCFCJDSA-N 0 3 333.388 1.713 20 5 EDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000841453819 594902159 /nfs/dbraw/zinc/90/21/59/594902159.db2.gz VZCNHJQTKIYJCQ-UHFFFAOYSA-N 0 3 348.403 1.255 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)C[C@@H]21 ZINC000834310236 595090248 /nfs/dbraw/zinc/09/02/48/595090248.db2.gz IOWHVVZHKYIRNM-XFBWCDHKSA-N 0 3 344.371 1.250 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000834564284 595163971 /nfs/dbraw/zinc/16/39/71/595163971.db2.gz IZLAYDCYVVCQQT-OAHLLOKOSA-N 0 3 325.340 1.263 20 5 EDBDHN Cc1ccc([C@H](O)CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000843088810 595284686 /nfs/dbraw/zinc/28/46/86/595284686.db2.gz QBQSGRDEBVVHBB-TZMCWYRMSA-N 0 3 336.344 1.559 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(Cn3cnnc3)CC2)cc1 ZINC000844412372 595340382 /nfs/dbraw/zinc/34/03/82/595340382.db2.gz TYUPOVZNYVLLEX-INIZCTEOSA-N 0 3 331.376 1.632 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000846942113 595341046 /nfs/dbraw/zinc/34/10/46/595341046.db2.gz ZEJIREZMEISTFW-IRXDYDNUSA-N 0 3 335.404 1.425 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)c1cc([N+](=O)[O-])ccc1F)CCO2 ZINC000855010082 595565317 /nfs/dbraw/zinc/56/53/17/595565317.db2.gz JJILJQYWHAHAQL-UHFFFAOYSA-N 0 3 337.351 1.671 20 5 EDBDHN C[C@@H]1[NH2+]CCC[C@@H]1[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765356 595599812 /nfs/dbraw/zinc/59/98/12/595599812.db2.gz FUKNVDNXLLSSKG-CABZTGNLSA-N 0 3 329.303 1.823 20 5 EDBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000861343435 595950291 /nfs/dbraw/zinc/95/02/91/595950291.db2.gz HZCMSAHPAULXSE-GDBMZVCRSA-N 0 3 338.360 1.626 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCNCCC2(C)C)ccc1[N+](=O)[O-] ZINC000866803758 596355375 /nfs/dbraw/zinc/35/53/75/596355375.db2.gz JEJCNKKBYXNECA-UHFFFAOYSA-N 0 3 327.406 1.666 20 5 EDBDHN Cc1ccc(CNC(=O)C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000867571785 596436987 /nfs/dbraw/zinc/43/69/87/596436987.db2.gz LWRUEDDWZTWBJH-UHFFFAOYSA-N 0 3 348.403 1.072 20 5 EDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867808688 596561279 /nfs/dbraw/zinc/56/12/79/596561279.db2.gz OCCBJTSKTMBVLR-NEPJUHHUSA-N 0 3 325.390 1.310 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(NC[C@@H]2CN3CCC[C@@H]3CO2)cc1F ZINC000865484759 596588206 /nfs/dbraw/zinc/58/82/06/596588206.db2.gz IPUSCPLUPPKLCP-VXGBXAGGSA-N 0 3 325.340 1.501 20 5 EDBDHN CC(COC(=O)c1cc(Br)cn2ccnc12)[N+](=O)[O-] ZINC000870377590 596857232 /nfs/dbraw/zinc/85/72/32/596857232.db2.gz RDBPIHBRBOXSDD-SSDOTTSWSA-N 0 3 328.122 1.919 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000874253607 596987823 /nfs/dbraw/zinc/98/78/23/596987823.db2.gz SXUKDTALYHHWQW-UONOGXRCSA-N 0 3 333.388 1.805 20 5 EDBDHN COc1ccc(CN2CCC(N3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000877747383 597552875 /nfs/dbraw/zinc/55/28/75/597552875.db2.gz JHVMPOOYRUIFAB-UHFFFAOYSA-N 0 3 348.447 1.815 20 5 EDBDHN CN1CC[C@@H]2CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916663636 696715355 /nfs/dbraw/zinc/71/53/55/696715355.db2.gz JWZZIXDIGGIMMT-OCCSQVGLSA-N 0 3 339.417 1.308 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)C(C)(C)C)CC1 ZINC000940436122 700629579 /nfs/dbraw/zinc/62/95/79/700629579.db2.gz FCJUDWKPUQLZMF-UHFFFAOYSA-N 0 3 337.424 1.845 20 5 EDBDHN CN(CC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361813967 282339904 /nfs/dbraw/zinc/33/99/04/282339904.db2.gz LHJQIVQFQJZYSP-CQSZACIVSA-N 0 3 332.404 1.726 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCN1CCCC1 ZINC000103120315 219257725 /nfs/dbraw/zinc/25/77/25/219257725.db2.gz SSDYMVGGOALIKF-ZDUSSCGKSA-N 0 3 348.403 1.267 20 5 EDBDHN CCN(CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000103955812 219331995 /nfs/dbraw/zinc/33/19/95/219331995.db2.gz FTIVRADUJWPEHI-UHFFFAOYSA-N 0 3 344.375 1.390 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N[C@H]2CCN(CC)C2)cc([N+](=O)[O-])c1 ZINC000412854757 304042469 /nfs/dbraw/zinc/04/24/69/304042469.db2.gz VJIVDRLAORLSSZ-ZDUSSCGKSA-N 0 3 335.360 1.596 20 5 EDBDHN CCN1CCN(CCCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000068277472 138193954 /nfs/dbraw/zinc/19/39/54/138193954.db2.gz LZRFRUUADXAJCC-UHFFFAOYSA-N 0 3 349.435 1.151 20 5 EDBDHN CSCC[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000199160463 139020407 /nfs/dbraw/zinc/02/04/07/139020407.db2.gz CZDAVCOJNFBMKS-AWEZNQCLSA-N 0 3 338.433 1.324 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000078760467 217114340 /nfs/dbraw/zinc/11/43/40/217114340.db2.gz DROXNBYAGITHAY-CQSZACIVSA-N 0 3 341.433 1.872 20 5 EDBDHN CNC(=O)CN1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000237129933 139041518 /nfs/dbraw/zinc/04/15/18/139041518.db2.gz LMVVWPYIGITFSH-UHFFFAOYSA-N 0 3 340.811 1.548 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CN1 ZINC000237579730 139054617 /nfs/dbraw/zinc/05/46/17/139054617.db2.gz NXAMPINFDKSMHH-RYUDHWBXSA-N 0 3 329.360 1.603 20 5 EDBDHN CN(CC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000246574853 139113477 /nfs/dbraw/zinc/11/34/77/139113477.db2.gz HXTCQUJBWPJVOP-GJZGRUSLSA-N 0 3 346.431 1.974 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCNC[C@@H]1c1nccn1C ZINC000261836330 139230222 /nfs/dbraw/zinc/23/02/22/139230222.db2.gz WDCUILVZRRZXNY-CQSZACIVSA-N 0 3 331.376 1.483 20 5 EDBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415419986 250919141 /nfs/dbraw/zinc/91/91/41/250919141.db2.gz AHVNHOQJZPLLOH-VIFPVBQESA-N 0 3 342.783 1.676 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N[C@H](CN)C2CCCCC2)cc1[N+](=O)[O-] ZINC000415423101 250923672 /nfs/dbraw/zinc/92/36/72/250923672.db2.gz FYPYUYWSUBBYGH-CQSZACIVSA-N 0 3 348.403 1.866 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262812765 139305514 /nfs/dbraw/zinc/30/55/14/139305514.db2.gz YMCVLJBRGLUHSJ-ZJUUUORDSA-N 0 3 347.824 1.833 20 5 EDBDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000112549507 220346465 /nfs/dbraw/zinc/34/64/65/220346465.db2.gz JPTJOQXFWUCXHC-GWCFXTLKSA-N 0 3 344.375 1.426 20 5 EDBDHN CCN1CCN(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112917926 220420549 /nfs/dbraw/zinc/42/05/49/220420549.db2.gz UYNQKLDNJWFPMV-VMPITWQZSA-N 0 3 332.404 1.362 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000495135363 255269813 /nfs/dbraw/zinc/26/98/13/255269813.db2.gz GDDWMNRSAFXHDW-CYBMUJFWSA-N 0 3 336.396 1.232 20 5 EDBDHN Cc1nn(CCC(=O)NCCN2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000263989281 139374158 /nfs/dbraw/zinc/37/41/58/139374158.db2.gz NESZUVJRCCYOPQ-GFCCVEGCSA-N 0 3 337.424 1.646 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187162616 533222922 /nfs/dbraw/zinc/22/29/22/533222922.db2.gz PQUHVAKRTONAOL-NSHDSACASA-N 0 3 342.417 1.906 20 5 EDBDHN CN(C)C1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000416289130 304303426 /nfs/dbraw/zinc/30/34/26/304303426.db2.gz ILMCQFVIZZGYQR-UHFFFAOYSA-N 0 3 329.360 1.605 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000331888970 141094381 /nfs/dbraw/zinc/09/43/81/141094381.db2.gz GEZUVDILIACYIH-HOTGVXAUSA-N 0 3 348.403 1.247 20 5 EDBDHN NC(=O)c1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000331999759 141108775 /nfs/dbraw/zinc/10/87/75/141108775.db2.gz VJNUOTFZSBBGKJ-SQWLQELKSA-N 0 3 349.387 1.840 20 5 EDBDHN O=C(CN1CCCC1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000343639385 142867566 /nfs/dbraw/zinc/86/75/66/142867566.db2.gz GPAIYNUXYLJSOJ-UHFFFAOYSA-N 0 3 332.404 1.335 20 5 EDBDHN C[C@@H](CN(C)C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000346157302 143173468 /nfs/dbraw/zinc/17/34/68/143173468.db2.gz KGFRQEUGKJFDGK-NSHDSACASA-N 0 3 332.360 1.588 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2COc2ccccc2)c1 ZINC000369826568 155193803 /nfs/dbraw/zinc/19/38/03/155193803.db2.gz XTXFXRZJPBTPIS-GDBMZVCRSA-N 0 3 346.387 1.696 20 5 EDBDHN CCC[N@H+](CC)C[C@@H](C)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000352585221 149073948 /nfs/dbraw/zinc/07/39/48/149073948.db2.gz BMEYYYCYDLNZKB-LLVKDONJSA-N 0 3 347.441 1.210 20 5 EDBDHN CCC[N@@H+](CC)C[C@@H](C)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000352585221 149073949 /nfs/dbraw/zinc/07/39/49/149073949.db2.gz BMEYYYCYDLNZKB-LLVKDONJSA-N 0 3 347.441 1.210 20 5 EDBDHN CN1CC[C@](O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000358051108 151247078 /nfs/dbraw/zinc/24/70/78/151247078.db2.gz QVIFOHGWRCCTOQ-HNNXBMFYSA-N 0 3 335.385 1.606 20 5 EDBDHN C[C@H](NCCn1nc2ccccn2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000358099681 151270562 /nfs/dbraw/zinc/27/05/62/151270562.db2.gz OYSDWTWGAYGYHP-LBPRGKRZSA-N 0 3 327.344 1.755 20 5 EDBDHN C[C@H]1C[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCN1C ZINC000361095083 152300687 /nfs/dbraw/zinc/30/06/87/152300687.db2.gz IIVVUOWRZBNIDH-VHSXEESVSA-N 0 3 328.394 1.137 20 5 EDBDHN O=C(COc1ccccc1[N+](=O)[O-])NC1CCN([C@H]2CCOC2)CC1 ZINC000363708030 153035698 /nfs/dbraw/zinc/03/56/98/153035698.db2.gz INKBTKXLZWRYLD-AWEZNQCLSA-N 0 3 349.387 1.343 20 5 EDBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363875495 153082212 /nfs/dbraw/zinc/08/22/12/153082212.db2.gz ZTDNLUSGJLPPFV-VHDGCEQUSA-N 0 3 348.403 1.609 20 5 EDBDHN C[C@]1([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000364354723 153215135 /nfs/dbraw/zinc/21/51/35/153215135.db2.gz AHMADEBGYJZZQN-BLLLJJGKSA-N 0 3 332.360 1.405 20 5 EDBDHN Cc1cc(C)n([C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000367139779 154019936 /nfs/dbraw/zinc/01/99/36/154019936.db2.gz LIFGTPDDYMYLBW-HNNXBMFYSA-N 0 3 345.403 1.907 20 5 EDBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCCN(C2CCOCC2)CC1 ZINC000371580182 156014912 /nfs/dbraw/zinc/01/49/12/156014912.db2.gz BXYLEVUANOWQSF-UHFFFAOYSA-N 0 3 349.391 1.130 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000378447136 158176621 /nfs/dbraw/zinc/17/66/21/158176621.db2.gz ASVQGJPSFMJCHI-IUODEOHRSA-N 0 3 348.403 1.839 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000122471676 222095155 /nfs/dbraw/zinc/09/51/55/222095155.db2.gz AUQCUFBMFLQBQX-UHFFFAOYSA-N 0 3 334.420 1.661 20 5 EDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CNC[C@@H]1CCCO1 ZINC000237256384 273008651 /nfs/dbraw/zinc/00/86/51/273008651.db2.gz LKKSYEJCCHFZLV-ZDUSSCGKSA-N 0 3 341.795 1.975 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000029179825 267380515 /nfs/dbraw/zinc/38/05/15/267380515.db2.gz WRFMFCMPYPBRCZ-INIZCTEOSA-N 0 3 343.387 1.745 20 5 EDBDHN CC(C)CCC[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000275832000 268375868 /nfs/dbraw/zinc/37/58/68/268375868.db2.gz SMRLZROYAAUZRQ-UHFFFAOYSA-N 0 3 329.422 1.899 20 5 EDBDHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274067059 273067993 /nfs/dbraw/zinc/06/79/93/273067993.db2.gz QXEWAPSSFCMKQG-RYUDHWBXSA-N 0 3 337.376 1.735 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000277552138 273205779 /nfs/dbraw/zinc/20/57/79/273205779.db2.gz IVYKPPXTYWWWNB-HNNXBMFYSA-N 0 3 339.417 1.771 20 5 EDBDHN CN(C)C1(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000278909456 273270393 /nfs/dbraw/zinc/27/03/93/273270393.db2.gz SGKRPHMOJGJMDP-UHFFFAOYSA-N 0 3 346.391 1.755 20 5 EDBDHN Cc1cc(F)c(NC(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000283916233 274009628 /nfs/dbraw/zinc/00/96/28/274009628.db2.gz JZYAHBHKNGKFMX-UHFFFAOYSA-N 0 3 340.355 1.621 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@](C)(C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000237239462 274116630 /nfs/dbraw/zinc/11/66/30/274116630.db2.gz RFJLFSJXOWLZLU-CQSZACIVSA-N 0 3 345.421 1.645 20 5 EDBDHN C[C@@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000267193529 274217933 /nfs/dbraw/zinc/21/79/33/274217933.db2.gz HWCSKBORDRPFHF-NSHDSACASA-N 0 3 342.421 1.529 20 5 EDBDHN COc1cc(N(C)C[C@@H]2C[C@H](OC)CN2C)c([N+](=O)[O-])cc1F ZINC000284493207 274222059 /nfs/dbraw/zinc/22/20/59/274222059.db2.gz HMQUFPGYZIAKJJ-QWRGUYRKSA-N 0 3 327.356 1.898 20 5 EDBDHN CN1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284703971 274300767 /nfs/dbraw/zinc/30/07/67/274300767.db2.gz SVCIDBLYSFPQBX-HUUCEWRRSA-N 0 3 336.348 1.408 20 5 EDBDHN C[C@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184803220 274525329 /nfs/dbraw/zinc/52/53/29/274525329.db2.gz VJTXKLTZPKEOSR-SRVKXCTJSA-N 0 3 334.376 1.556 20 5 EDBDHN O=C1CC[C@H](N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450895051 275018099 /nfs/dbraw/zinc/01/80/99/275018099.db2.gz WQLSZSSMLBTWOP-ZDUSSCGKSA-N 0 3 336.367 1.525 20 5 EDBDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000330447054 276176114 /nfs/dbraw/zinc/17/61/14/276176114.db2.gz RPBRKBOUTUKIFI-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286561391 288034856 /nfs/dbraw/zinc/03/48/56/288034856.db2.gz TVXJGAZRNHBBAE-CQSZACIVSA-N 0 3 348.403 1.574 20 5 EDBDHN CC[C@@H](NC(=O)C(=O)N1CCCC[C@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000419172164 304573885 /nfs/dbraw/zinc/57/38/85/304573885.db2.gz UJTPRWUXOHWTDV-LSDHHAIUSA-N 0 3 348.403 1.502 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)N(C)C[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000294753161 303143344 /nfs/dbraw/zinc/14/33/44/303143344.db2.gz AOQKNKQCOSILME-LLVKDONJSA-N 0 3 338.383 1.824 20 5 EDBDHN Cn1cc(CN[C@H]2CCCNC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295120308 303175232 /nfs/dbraw/zinc/17/52/32/303175232.db2.gz WKHSFLKOHABTKM-AWEZNQCLSA-N 0 3 329.360 1.364 20 5 EDBDHN O=C(N[C@H]1CCCN(CCCO)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000295341698 303207199 /nfs/dbraw/zinc/20/71/99/303207199.db2.gz DRSSCKBUAMCEOU-LBPRGKRZSA-N 0 3 346.387 1.653 20 5 EDBDHN O=C(CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCC(F)(F)F ZINC000447542168 305281742 /nfs/dbraw/zinc/28/17/42/305281742.db2.gz OBDFQXQJFBXZBQ-VHSXEESVSA-N 0 3 349.313 1.543 20 5 EDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000449179531 305308996 /nfs/dbraw/zinc/30/89/96/305308996.db2.gz WCVSRPXQHTWJQF-CZUORRHYSA-N 0 3 347.415 1.895 20 5 EDBDHN CS(=O)(=O)N1CC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000519551709 305770212 /nfs/dbraw/zinc/77/02/12/305770212.db2.gz VFLMMFSAAQINIK-RYWCDNDXSA-N 0 3 325.390 1.232 20 5 EDBDHN C[C@H]1CCCN(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000047148054 441160805 /nfs/dbraw/zinc/16/08/05/441160805.db2.gz MRWBTLDDIDSFDG-ZDUSSCGKSA-N 0 3 348.403 1.173 20 5 EDBDHN CNS(=O)(=O)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000060380045 441239511 /nfs/dbraw/zinc/23/95/11/441239511.db2.gz LRCHURHAIKGMEN-UHFFFAOYSA-N 0 3 342.421 1.401 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c(C)c1[N+](=O)[O-] ZINC000073988794 441379544 /nfs/dbraw/zinc/37/95/44/441379544.db2.gz ZIBNEBLGMUBXQB-UONOGXRCSA-N 0 3 335.408 1.493 20 5 EDBDHN C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(C)C1CC1 ZINC000067276891 441623662 /nfs/dbraw/zinc/62/36/62/441623662.db2.gz CWWOGWCRIFSHLM-NSHDSACASA-N 0 3 344.375 1.388 20 5 EDBDHN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CN1CCCC1 ZINC000055265433 441636429 /nfs/dbraw/zinc/63/64/29/441636429.db2.gz RXBFPBDAHKHHIE-GFCCVEGCSA-N 0 3 327.406 1.605 20 5 EDBDHN O=[N+]([O-])c1ccc(NCCCCN2CCN(CCO)CC2)c(F)c1 ZINC000114450879 441657324 /nfs/dbraw/zinc/65/73/24/441657324.db2.gz IXZZUCCRPBOBKA-UHFFFAOYSA-N 0 3 340.399 1.536 20 5 EDBDHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000042008206 441693459 /nfs/dbraw/zinc/69/34/59/441693459.db2.gz SXZSZONZOOKPFX-NSHDSACASA-N 0 3 345.421 1.612 20 5 EDBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000067975974 441705057 /nfs/dbraw/zinc/70/50/57/441705057.db2.gz YBBZFPXNBLUVSF-AWEZNQCLSA-N 0 3 346.339 1.853 20 5 EDBDHN Cc1cccc([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000159916586 441845943 /nfs/dbraw/zinc/84/59/43/441845943.db2.gz RPZGDQNDQFZSHN-GOEBONIOSA-N 0 3 331.376 1.693 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000146623744 441899148 /nfs/dbraw/zinc/89/91/48/441899148.db2.gz WUYILEWOUOCZCF-CQSZACIVSA-N 0 3 339.417 1.762 20 5 EDBDHN Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000151606470 442091374 /nfs/dbraw/zinc/09/13/74/442091374.db2.gz CCGZPYDAMJAWGU-ZDUSSCGKSA-N 0 3 333.392 1.041 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151619401 442094576 /nfs/dbraw/zinc/09/45/76/442094576.db2.gz OPAHSLIUCHAZKY-ZDUSSCGKSA-N 0 3 339.417 1.701 20 5 EDBDHN O=C1CC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@@H]2N1C1CC1 ZINC000163004827 442138127 /nfs/dbraw/zinc/13/81/27/442138127.db2.gz RPYWYXMUXWIIEY-OCCSQVGLSA-N 0 3 333.392 1.267 20 5 EDBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000176287357 442205209 /nfs/dbraw/zinc/20/52/09/442205209.db2.gz OAOGGOYLSWABSW-LBPRGKRZSA-N 0 3 339.396 1.733 20 5 EDBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000171881220 442387264 /nfs/dbraw/zinc/38/72/64/442387264.db2.gz YXWMZCZSCKKDDM-ZDUSSCGKSA-N 0 3 331.376 1.428 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCCC[C@H]1C(N)=O ZINC000130989639 442361831 /nfs/dbraw/zinc/36/18/31/442361831.db2.gz GUQIRZOLSLJWAV-OLZOCXBDSA-N 0 3 334.376 1.475 20 5 EDBDHN CN(CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000133819380 442435933 /nfs/dbraw/zinc/43/59/33/442435933.db2.gz DOGSJKYTUHUMGY-UHFFFAOYSA-N 0 3 346.391 1.223 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(Cn3cncn3)CC2)c1 ZINC000186231231 442492669 /nfs/dbraw/zinc/49/26/69/442492669.db2.gz WABRIYAMXZBFRK-MRXNPFEDSA-N 0 3 331.376 1.632 20 5 EDBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H](c1ccccc1)N(C)C ZINC000186485931 442543737 /nfs/dbraw/zinc/54/37/37/442543737.db2.gz ZZZVTNCWVLZALV-IAQYHMDHSA-N 0 3 343.387 1.993 20 5 EDBDHN COCCN(C)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173002763 442582161 /nfs/dbraw/zinc/58/21/61/442582161.db2.gz JETASMJLFLOQSO-UHFFFAOYSA-N 0 3 349.309 1.922 20 5 EDBDHN CC(C)C(=O)NCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157591065 442595550 /nfs/dbraw/zinc/59/55/50/442595550.db2.gz GRDZPHOWGXPCAX-UHFFFAOYSA-N 0 3 336.392 1.627 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186777818 442609300 /nfs/dbraw/zinc/60/93/00/442609300.db2.gz OLDOBADIXOJKQK-UHFFFAOYSA-N 0 3 344.371 1.603 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(n2cncn2)CC1 ZINC000182226225 442747422 /nfs/dbraw/zinc/74/74/22/442747422.db2.gz HGZOWKNNEYDZOZ-AWEZNQCLSA-N 0 3 347.375 1.263 20 5 EDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC[C@@H]2CCC=CO2)c1 ZINC000194280127 442870948 /nfs/dbraw/zinc/87/09/48/442870948.db2.gz DHGPABBJPUPKBG-ZDUSSCGKSA-N 0 3 341.389 1.155 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1 ZINC000189213171 442898284 /nfs/dbraw/zinc/89/82/84/442898284.db2.gz ATMGACBSLYBJJD-UHFFFAOYSA-N 0 3 333.369 1.677 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000268223976 442906716 /nfs/dbraw/zinc/90/67/16/442906716.db2.gz QWCQDQCFIFHNMX-MFKMUULPSA-N 0 3 347.371 1.579 20 5 EDBDHN COCCN(CCN(C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265786974 442920281 /nfs/dbraw/zinc/92/02/81/442920281.db2.gz GARXETBENNDHEB-UHFFFAOYSA-N 0 3 337.420 1.909 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](O)[C@H](C)C1 ZINC000249545579 442984801 /nfs/dbraw/zinc/98/48/01/442984801.db2.gz GEEMDFWAASDDMD-BXUZGUMPSA-N 0 3 337.376 1.635 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000266053532 443000922 /nfs/dbraw/zinc/00/09/22/443000922.db2.gz ZISWWLIJWYGBIA-CQSZACIVSA-N 0 3 335.404 1.758 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C[NH3+])C1 ZINC000382497366 319123863 /nfs/dbraw/zinc/12/38/63/319123863.db2.gz JUQLLAXZTJYJOS-VHSXEESVSA-N 0 3 329.378 1.009 20 5 EDBDHN CCN1CCCC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000272441270 443318318 /nfs/dbraw/zinc/31/83/18/443318318.db2.gz DUSDNKOWUSASTC-NSHDSACASA-N 0 3 342.421 1.529 20 5 EDBDHN C[C@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000267193526 443373511 /nfs/dbraw/zinc/37/35/11/443373511.db2.gz HWCSKBORDRPFHF-LLVKDONJSA-N 0 3 342.421 1.529 20 5 EDBDHN C[C@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282750598 443424173 /nfs/dbraw/zinc/42/41/73/443424173.db2.gz KDMUQDVEANNCDZ-SMDDNHRTSA-N 0 3 346.387 1.713 20 5 EDBDHN COC(=O)[C@@H]1CC12CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000269686173 443396397 /nfs/dbraw/zinc/39/63/97/443396397.db2.gz ZVCDRSYFXGWPSR-LSDHHAIUSA-N 0 3 334.372 1.903 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(C3CCC3)CC2)c1 ZINC000265055552 443519681 /nfs/dbraw/zinc/51/96/81/443519681.db2.gz XUUFRDKMAURIEX-INIZCTEOSA-N 0 3 335.404 1.505 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H](O)CN1CCOCC1 ZINC000272339046 443596419 /nfs/dbraw/zinc/59/64/19/443596419.db2.gz OFOVJKSETLHMMO-GOEBONIOSA-N 0 3 337.420 1.589 20 5 EDBDHN CNC(=O)CCOC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000494951879 320397663 /nfs/dbraw/zinc/39/76/63/320397663.db2.gz CEQRGXPZFVSGQI-UHFFFAOYSA-N 0 3 335.404 1.754 20 5 EDBDHN CCN1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC)[C@H]2C1 ZINC000292752786 443834820 /nfs/dbraw/zinc/83/48/20/443834820.db2.gz BGRYVDRODMRSFP-DOTOQJQBSA-N 0 3 335.404 1.898 20 5 EDBDHN O=C1C[C@H](N2C[C@@H]3CCC[C@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000532049110 320672336 /nfs/dbraw/zinc/67/23/36/320672336.db2.gz WJFGJLZDWIMXJI-HUBLWGQQSA-N 0 3 329.356 1.959 20 5 EDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000293077387 443918754 /nfs/dbraw/zinc/91/87/54/443918754.db2.gz VXBONPWVTYEGGN-INIZCTEOSA-N 0 3 331.376 1.558 20 5 EDBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])c(N)c2F)CC1(C)C ZINC000281637383 443966092 /nfs/dbraw/zinc/96/60/92/443966092.db2.gz LYUVWSASFBLSNB-UHFFFAOYSA-N 0 3 325.388 1.754 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2C[C@H](N(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299204253 443981624 /nfs/dbraw/zinc/98/16/24/443981624.db2.gz GRTJZRDAWVFKJU-FZMZJTMJSA-N 0 3 334.376 1.250 20 5 EDBDHN COC(=O)CC[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000288874185 444003229 /nfs/dbraw/zinc/00/32/29/444003229.db2.gz YUAUCNIGOJJDCB-AWEZNQCLSA-N 0 3 337.376 1.314 20 5 EDBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C1CC1)N1CCCC1 ZINC000277871254 444056197 /nfs/dbraw/zinc/05/61/97/444056197.db2.gz DNAOVVJYCWSCCD-INIZCTEOSA-N 0 3 343.387 1.962 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H]2Cc3ccccc3O2)c1 ZINC000569023554 321315508 /nfs/dbraw/zinc/31/55/08/321315508.db2.gz REKIRYDYFXLLKP-WBVHZDCISA-N 0 3 344.367 1.928 20 5 EDBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)C1 ZINC000294090326 444102001 /nfs/dbraw/zinc/10/20/01/444102001.db2.gz KDBOZUCBWCEFRV-MRXNPFEDSA-N 0 3 336.367 1.874 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@H](N(C)C)C1 ZINC000301143960 444148760 /nfs/dbraw/zinc/14/87/60/444148760.db2.gz DWHAWXSAYBBBLT-SECBINFHSA-N 0 3 338.320 1.430 20 5 EDBDHN CN(C(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296265856 444215617 /nfs/dbraw/zinc/21/56/17/444215617.db2.gz OHNLDDXLCUHMEK-IMJJTQAJSA-N 0 3 333.388 1.961 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc3c(n2)CCCC3)c1 ZINC000575916955 321534137 /nfs/dbraw/zinc/53/41/37/321534137.db2.gz CNBPLKWSNICICV-OAHLLOKOSA-N 0 3 331.376 1.216 20 5 EDBDHN Cc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)ncc1[N+](=O)[O-] ZINC000301820828 444192274 /nfs/dbraw/zinc/19/22/74/444192274.db2.gz LSJCFRMXHHJIAR-ZDUSSCGKSA-N 0 3 333.392 1.217 20 5 EDBDHN CC1(C)[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCO[C@H]21 ZINC000296105419 444205090 /nfs/dbraw/zinc/20/50/90/444205090.db2.gz IBEDRWGNTFFQGR-IAOVAPTHSA-N 0 3 345.399 1.887 20 5 EDBDHN C[C@@H](NC(=O)c1ccn(CCN(C)C)n1)c1ccccc1[N+](=O)[O-] ZINC000577229423 321635166 /nfs/dbraw/zinc/63/51/66/321635166.db2.gz JGZWJLBXWCYQGB-GFCCVEGCSA-N 0 3 331.376 1.844 20 5 EDBDHN C[C@@H]1CCN(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000581900534 322230849 /nfs/dbraw/zinc/23/08/49/322230849.db2.gz DKXZGHJTBZLEPS-CQSZACIVSA-N 0 3 332.404 1.585 20 5 EDBDHN O=C(CCN1CC[C@H](N2CCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000340987890 444617180 /nfs/dbraw/zinc/61/71/80/444617180.db2.gz CHJXJLFZEXKUDF-HNNXBMFYSA-N 0 3 346.387 1.620 20 5 EDBDHN CCn1nccc1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338545036 444742305 /nfs/dbraw/zinc/74/23/05/444742305.db2.gz GHNHNMKMUODRQB-ZDUSSCGKSA-N 0 3 330.392 1.935 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344168607 444818459 /nfs/dbraw/zinc/81/84/59/444818459.db2.gz BGXJDQJNLVHRJD-UHFFFAOYSA-N 0 3 338.383 1.491 20 5 EDBDHN COc1cc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000330549985 445030630 /nfs/dbraw/zinc/03/06/30/445030630.db2.gz RPZLWCVDSKKZTE-TZMCWYRMSA-N 0 3 339.417 1.721 20 5 EDBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000330447056 444984612 /nfs/dbraw/zinc/98/46/12/444984612.db2.gz RPBRKBOUTUKIFI-ZDUSSCGKSA-N 0 3 341.433 1.913 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000342032559 445134677 /nfs/dbraw/zinc/13/46/77/445134677.db2.gz MPMPQPTVIKWSAG-GUYCJALGSA-N 0 3 346.387 1.489 20 5 EDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346224512 445208730 /nfs/dbraw/zinc/20/87/30/445208730.db2.gz NWKUNOOZBJQGQO-ZOWXZIJZSA-N 0 3 332.404 1.979 20 5 EDBDHN C[C@@H]1[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCN1C ZINC000343473924 445229744 /nfs/dbraw/zinc/22/97/44/445229744.db2.gz CMQNVIOZAHMNAN-IUODEOHRSA-N 0 3 343.387 1.993 20 5 EDBDHN Cc1nc(NCCCN2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000348351822 445264977 /nfs/dbraw/zinc/26/49/77/445264977.db2.gz MAXXNIOTCFGZBV-AWEZNQCLSA-N 0 3 335.408 1.653 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)n1 ZINC000351772543 445316142 /nfs/dbraw/zinc/31/61/42/445316142.db2.gz KMTPRFJXFODWCQ-UHFFFAOYSA-N 0 3 336.327 2.136 20 5 EDBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCOC1 ZINC000348138462 445286498 /nfs/dbraw/zinc/28/64/98/445286498.db2.gz TVVRKPWFHLIPRA-TZMCWYRMSA-N 0 3 333.388 1.889 20 5 EDBDHN C[C@@H]1[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCN1C ZINC000357034102 445385238 /nfs/dbraw/zinc/38/52/38/445385238.db2.gz HFCNJARDHSJPSN-CHWSQXEVSA-N 0 3 348.403 1.917 20 5 EDBDHN NC(=O)c1ccc(N2CCC[C@H]2CN2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000362740846 445527123 /nfs/dbraw/zinc/52/71/23/445527123.db2.gz HZIFWVOZCAIJHC-KBPBESRZSA-N 0 3 348.403 1.119 20 5 EDBDHN COc1ccc(C(=O)NC[C@@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000352124202 445507197 /nfs/dbraw/zinc/50/71/97/445507197.db2.gz WKUNYKQDYILIIS-HNNXBMFYSA-N 0 3 325.365 1.036 20 5 EDBDHN CC[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1C[C@@H](C)O ZINC000357324748 445549312 /nfs/dbraw/zinc/54/93/12/445549312.db2.gz RQGGXXUYMDKFMH-CHWSQXEVSA-N 0 3 345.403 1.819 20 5 EDBDHN CCN1C[C@@H](C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000349660534 445638094 /nfs/dbraw/zinc/63/80/94/445638094.db2.gz CIHRCFZLZSIDQK-IUODEOHRSA-N 0 3 341.433 1.298 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000349674200 445643809 /nfs/dbraw/zinc/64/38/09/445643809.db2.gz YEULZSLFXVCQFP-HNNXBMFYSA-N 0 3 348.403 1.982 20 5 EDBDHN Cc1c(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cccc1[N+](=O)[O-] ZINC000363217926 445726587 /nfs/dbraw/zinc/72/65/87/445726587.db2.gz CXDKGEXUMRVYLI-HNNXBMFYSA-N 0 3 346.431 1.755 20 5 EDBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCN2CCC1CC2 ZINC000365033144 445983914 /nfs/dbraw/zinc/98/39/14/445983914.db2.gz APZGNPWFVICFRU-UHFFFAOYSA-N 0 3 342.355 1.769 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(CCC(=O)N(C)C)CC2)n1 ZINC000359100822 445946987 /nfs/dbraw/zinc/94/69/87/445946987.db2.gz QCNSYIJJGYGZJH-UHFFFAOYSA-N 0 3 349.435 1.961 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCCN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000369247475 446020336 /nfs/dbraw/zinc/02/03/36/446020336.db2.gz BRFHGPCGHXYJMJ-ROUUACIJSA-N 0 3 349.431 1.895 20 5 EDBDHN C[C@@]1(CO)CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000351503790 446108631 /nfs/dbraw/zinc/10/86/31/446108631.db2.gz TZBJAKUPYJIBJY-GJZGRUSLSA-N 0 3 342.417 1.509 20 5 EDBDHN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000351504058 446110321 /nfs/dbraw/zinc/11/03/21/446110321.db2.gz UISUSTWHYPKQGH-ZANVPECISA-N 0 3 338.339 1.081 20 5 EDBDHN COc1ccc(NC(=O)CN2C[C@H]3CCC[C@@H](C2)N3)c([N+](=O)[O-])c1 ZINC000420348078 446523737 /nfs/dbraw/zinc/52/37/37/446523737.db2.gz JLIGNQDDKJANHG-TXEJJXNPSA-N 0 3 334.376 1.368 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420470913 446647019 /nfs/dbraw/zinc/64/70/19/446647019.db2.gz QYKGODVMAVVOMX-NWDGAFQWSA-N 0 3 327.406 1.699 20 5 EDBDHN N[C@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000423827081 446716683 /nfs/dbraw/zinc/71/66/83/446716683.db2.gz NJFPUQHMZZQKGA-OAHLLOKOSA-N 0 3 326.356 1.965 20 5 EDBDHN O=C1[C@H](N[C@H](CO)[C@H]2CCCOC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411999278 446781058 /nfs/dbraw/zinc/78/10/58/446781058.db2.gz XGWSZLCXILDLKN-APHBMKBZSA-N 0 3 349.387 1.077 20 5 EDBDHN CC1(CN2CCOCC2)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000371373597 446815182 /nfs/dbraw/zinc/81/51/82/446815182.db2.gz NLJGPHSDQYXPLT-UHFFFAOYSA-N 0 3 337.424 1.226 20 5 EDBDHN O=C1Nc2ccccc2[C@@]12CCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000368792175 447108643 /nfs/dbraw/zinc/10/86/43/447108643.db2.gz NXARSKDKBKARSQ-INIZCTEOSA-N 0 3 327.344 1.387 20 5 EDBDHN CNC(=O)[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421391805 447148070 /nfs/dbraw/zinc/14/80/70/447148070.db2.gz UNCJKOPSVDASFT-ZDUSSCGKSA-N 0 3 343.387 1.563 20 5 EDBDHN Cc1cnc(NCC2(N3CCOCC3)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000413483203 447195633 /nfs/dbraw/zinc/19/56/33/447195633.db2.gz RGSSAGXLUQIZDO-UHFFFAOYSA-N 0 3 349.435 1.507 20 5 EDBDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415498921 447482530 /nfs/dbraw/zinc/48/25/30/447482530.db2.gz NUKXNFXZMZNLBK-SECBINFHSA-N 0 3 342.783 1.820 20 5 EDBDHN COc1c(C(=O)NC[C@@](C)(O)CCN(C)C)cccc1[N+](=O)[O-] ZINC000420000066 447538192 /nfs/dbraw/zinc/53/81/92/447538192.db2.gz PEPHQSSPRIDUKN-HNNXBMFYSA-N 0 3 325.365 1.036 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000450734315 447560825 /nfs/dbraw/zinc/56/08/25/447560825.db2.gz VNXANVHQPQBGFH-AXFHLTTASA-N 0 3 325.365 1.537 20 5 EDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000451917632 447783407 /nfs/dbraw/zinc/78/34/07/447783407.db2.gz NLJYPKKFSQGWFK-HOCLYGCPSA-N 0 3 346.431 1.942 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC000451927713 447786462 /nfs/dbraw/zinc/78/64/62/447786462.db2.gz KWUVUGNHXKDPIA-YHWZYXNKSA-N 0 3 339.417 1.807 20 5 EDBDHN COC(=O)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000452004716 447800296 /nfs/dbraw/zinc/80/02/96/447800296.db2.gz KXKNCAZKTNSLIG-GJZGRUSLSA-N 0 3 344.371 1.680 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1C ZINC000525104921 447969155 /nfs/dbraw/zinc/96/91/55/447969155.db2.gz HPKHPWVKGSUFSP-GHMZBOCLSA-N 0 3 335.360 1.579 20 5 EDBDHN COc1ccc(CC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000532080067 448197149 /nfs/dbraw/zinc/19/71/49/448197149.db2.gz INCKKQKTSRUXNZ-BXUZGUMPSA-N 0 3 333.388 1.745 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000591028970 448238964 /nfs/dbraw/zinc/23/89/64/448238964.db2.gz MMHVWMFLPKQEHV-DOMZBBRYSA-N 0 3 346.387 1.313 20 5 EDBDHN C[C@]1(F)CNCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000591442131 448364748 /nfs/dbraw/zinc/36/47/48/448364748.db2.gz DPFHVSJPBDLOED-NSHDSACASA-N 0 3 333.161 1.890 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(CCO)CC1 ZINC000533280053 448381202 /nfs/dbraw/zinc/38/12/02/448381202.db2.gz IZVVBTGBWGDAPY-UHFFFAOYSA-N 0 3 349.387 1.987 20 5 EDBDHN CS(=O)(=O)CCCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591638002 448424637 /nfs/dbraw/zinc/42/46/37/448424637.db2.gz KMYGJGPAVSWSIC-UHFFFAOYSA-N 0 3 344.389 1.280 20 5 EDBDHN CN1CCN(c2ccncc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000516624975 448450633 /nfs/dbraw/zinc/45/06/33/448450633.db2.gz GOXRSVGUZCMXMF-UHFFFAOYSA-N 0 3 341.371 1.994 20 5 EDBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000591758895 448483251 /nfs/dbraw/zinc/48/32/51/448483251.db2.gz RSZXTIWNKSLMLP-DOMZBBRYSA-N 0 3 342.417 1.916 20 5 EDBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1=CCN(C)CC1 ZINC000540968588 448660712 /nfs/dbraw/zinc/66/07/12/448660712.db2.gz STEPHDLMHWEREZ-NSHDSACASA-N 0 3 347.371 1.746 20 5 EDBDHN CC1(C)CCC[NH2+][C@@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000579712475 448859815 /nfs/dbraw/zinc/85/98/15/448859815.db2.gz UXSLRPNQFMVSIQ-LLVKDONJSA-N 0 3 328.394 1.046 20 5 EDBDHN COC(=O)COc1ccc(CN(C)C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000589196948 448986198 /nfs/dbraw/zinc/98/61/98/448986198.db2.gz PNSXCDYIIFCGQT-CQSZACIVSA-N 0 3 338.360 1.349 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(CC3CC3)CC2)c1 ZINC000589495791 449025540 /nfs/dbraw/zinc/02/55/40/449025540.db2.gz NSTPEFINHDKCQL-UHFFFAOYSA-N 0 3 333.388 1.909 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000575344317 449082626 /nfs/dbraw/zinc/08/26/26/449082626.db2.gz YKXNTZIEXAPXTJ-CYBMUJFWSA-N 0 3 348.403 1.608 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595618456 449083554 /nfs/dbraw/zinc/08/35/54/449083554.db2.gz YFDLCVKEAOORGR-AWEZNQCLSA-N 0 3 337.376 1.683 20 5 EDBDHN C[C@@H](CO)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000593081327 449126260 /nfs/dbraw/zinc/12/62/60/449126260.db2.gz CHRTWHJXZJNYAC-XJKSGUPXSA-N 0 3 338.404 1.675 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593130527 449146986 /nfs/dbraw/zinc/14/69/86/449146986.db2.gz AEODNWSMTNLPCT-UHFFFAOYSA-N 0 3 349.391 1.141 20 5 EDBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](CO)[C@H](CO)C3)o2)cc1 ZINC000600192383 449236242 /nfs/dbraw/zinc/23/62/42/449236242.db2.gz QQLZJWIBDSOSFH-KBPBESRZSA-N 0 3 332.356 1.887 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000601958284 449245406 /nfs/dbraw/zinc/24/54/06/449245406.db2.gz ZVWCEXOBSQXFJL-KRWDZBQOSA-N 0 3 329.356 1.394 20 5 EDBDHN O=C(CNC1(CO)CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611462805 449297170 /nfs/dbraw/zinc/29/71/70/449297170.db2.gz ATJHPCZKCRDTJU-UHFFFAOYSA-N 0 3 333.388 1.769 20 5 EDBDHN Cc1nn(C)c(C(=O)N[C@H]2CCN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598221497 449297278 /nfs/dbraw/zinc/29/72/78/449297278.db2.gz WESJKWGKQKTNIF-LBPRGKRZSA-N 0 3 335.408 1.774 20 5 EDBDHN CN(C)CCN1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596076764 449351297 /nfs/dbraw/zinc/35/12/97/449351297.db2.gz PGGYXZVFIXNFML-UHFFFAOYSA-N 0 3 335.408 1.132 20 5 EDBDHN C[C@H]1CCCCN1CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596078014 449352558 /nfs/dbraw/zinc/35/25/58/449352558.db2.gz YFOHVNNLEKVXGT-NSHDSACASA-N 0 3 342.421 1.529 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000596048690 449335728 /nfs/dbraw/zinc/33/57/28/449335728.db2.gz BVYPNVDDZSGYGG-SNVBAGLBSA-N 0 3 341.311 1.413 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000596053391 449338200 /nfs/dbraw/zinc/33/82/00/449338200.db2.gz ZIIOOGWZFFINFZ-JTQLQIEISA-N 0 3 341.311 1.413 20 5 EDBDHN Cc1ccc(S(=O)(=O)NCCOCCN(C)C)c(C)c1[N+](=O)[O-] ZINC000598607786 449490210 /nfs/dbraw/zinc/49/02/10/449490210.db2.gz PCXCANUWBYEYSW-UHFFFAOYSA-N 0 3 345.421 1.068 20 5 EDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594394256 449490953 /nfs/dbraw/zinc/49/09/53/449490953.db2.gz VZEHYRUEMPLYFU-JKSUJKDBSA-N 0 3 348.403 1.064 20 5 EDBDHN Cc1cc(N(CCN(C)C)CC(=O)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000596462098 449515354 /nfs/dbraw/zinc/51/53/54/449515354.db2.gz LGZRNJMHEQAAMB-UHFFFAOYSA-N 0 3 326.372 1.499 20 5 EDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000594760794 449674696 /nfs/dbraw/zinc/67/46/96/449674696.db2.gz SYDRWXPJBNKTQG-VXGBXAGGSA-N 0 3 342.421 1.483 20 5 EDBDHN Cn1nccc1[C@H](CO)N[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599055105 449712355 /nfs/dbraw/zinc/71/23/55/449712355.db2.gz NBULNCZJVGIPRL-DYEKYZERSA-N 0 3 334.380 1.332 20 5 EDBDHN C[C@@H](Cc1ccncc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576091 449782419 /nfs/dbraw/zinc/78/24/19/449782419.db2.gz DPQCTQZQKBNLFI-ZDUSSCGKSA-N 0 3 349.412 1.984 20 5 EDBDHN O=[N+]([O-])c1cccc(CNS(=O)(=O)CCCN2CCCC2)c1 ZINC000601321657 449830663 /nfs/dbraw/zinc/83/06/63/449830663.db2.gz RHZPSAWCCOWUAF-UHFFFAOYSA-N 0 3 327.406 1.500 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)N1CCN(C)CC1 ZINC000595014527 449841977 /nfs/dbraw/zinc/84/19/77/449841977.db2.gz WLWLPZHKEKTLLB-UONOGXRCSA-N 0 3 336.436 1.890 20 5 EDBDHN CCCCNC(=O)[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602764622 449790381 /nfs/dbraw/zinc/79/03/81/449790381.db2.gz FAJZKQIRRXVWBC-AWEZNQCLSA-N 0 3 337.424 1.728 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[NH2+]C2CCCCCC2)nc1 ZINC000595101289 449868481 /nfs/dbraw/zinc/86/84/81/449868481.db2.gz APOPHEIPAARLCR-UHFFFAOYSA-N 0 3 342.421 1.581 20 5 EDBDHN CC1(C)CN(CCCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000614920184 449875487 /nfs/dbraw/zinc/87/54/87/449875487.db2.gz GOXJTYITRFJVHK-UHFFFAOYSA-N 0 3 337.420 1.752 20 5 EDBDHN NC(=O)C1CCC(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000609006476 449955006 /nfs/dbraw/zinc/95/50/06/449955006.db2.gz HDBLWSWAFWLVTJ-UHFFFAOYSA-N 0 3 335.360 1.500 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC2(CCOCC2)CC[C@@H]1CO ZINC000602916630 449919071 /nfs/dbraw/zinc/91/90/71/449919071.db2.gz OPXJNUPOCJZPHX-CQSZACIVSA-N 0 3 338.408 1.353 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595258038 449981370 /nfs/dbraw/zinc/98/13/70/449981370.db2.gz QVRKTWTZEJXJJH-CQSZACIVSA-N 0 3 345.359 1.399 20 5 EDBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1SC ZINC000595260564 449983436 /nfs/dbraw/zinc/98/34/36/449983436.db2.gz DBGFIXUEUXAYQU-NXEZZACHSA-N 0 3 343.380 1.837 20 5 EDBDHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000603052104 450035683 /nfs/dbraw/zinc/03/56/83/450035683.db2.gz HGAAVFJDJSEKRG-VNQPRFMTSA-N 0 3 333.388 1.271 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000610336430 450195553 /nfs/dbraw/zinc/19/55/53/450195553.db2.gz AAOHJRGUOZKLIG-IAGOWNOFSA-N 0 3 346.387 1.616 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CSCCN1 ZINC000603420707 450292971 /nfs/dbraw/zinc/29/29/71/450292971.db2.gz WZSROHNFTBPJAP-JTQLQIEISA-N 0 3 325.390 1.807 20 5 EDBDHN Cc1c(Br)c(NC[C@@H]2CSCCN2)ncc1[N+](=O)[O-] ZINC000603421022 450294243 /nfs/dbraw/zinc/29/42/43/450294243.db2.gz XHQOIUCJGDEGMK-MRVPVSSYSA-N 0 3 347.238 2.178 20 5 EDBDHN NC(=O)[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000253159076 518197030 /nfs/dbraw/zinc/19/70/30/518197030.db2.gz QVPDPVRZMHCDOC-KFWWJZLASA-N 0 3 346.387 1.334 20 5 EDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000183339247 527500330 /nfs/dbraw/zinc/50/03/30/527500330.db2.gz LXABBWIMIPZEKM-IFCKCIONSA-N 0 3 347.415 1.961 20 5 EDBDHN CCN(C)C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129210450 527840027 /nfs/dbraw/zinc/84/00/27/527840027.db2.gz MUCNRQSQZFJQJK-SNVBAGLBSA-N 0 3 347.462 1.838 20 5 EDBDHN CN(C)C[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000271019923 535960031 /nfs/dbraw/zinc/96/00/31/535960031.db2.gz KCPFSZXOQBQNCH-CYBMUJFWSA-N 0 3 343.387 1.947 20 5 EDBDHN C[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000261834626 536404090 /nfs/dbraw/zinc/40/40/90/536404090.db2.gz VRFMMHQIEJFGTF-SSDOTTSWSA-N 0 3 341.311 1.500 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000788205810 578357013 /nfs/dbraw/zinc/35/70/13/578357013.db2.gz PQRKRDQHQSOYND-HNNXBMFYSA-N 0 3 341.795 1.777 20 5 EDBDHN CN(CCCNC(=O)C1CCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759998696 580021273 /nfs/dbraw/zinc/02/12/73/580021273.db2.gz IXRARTYBSYBURM-MRXNPFEDSA-N 0 3 335.404 1.866 20 5 EDBDHN CN(Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1CCN(C2CC2)C1 ZINC000732188292 578695895 /nfs/dbraw/zinc/69/58/95/578695895.db2.gz HKVVRALBDRKOFT-JTQLQIEISA-N 0 3 344.213 1.680 20 5 EDBDHN CCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736455667 578990019 /nfs/dbraw/zinc/99/00/19/578990019.db2.gz CBANMFZCBQNRHU-UHFFFAOYSA-N 0 3 346.395 1.846 20 5 EDBDHN CCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736455667 578990020 /nfs/dbraw/zinc/99/00/20/578990020.db2.gz CBANMFZCBQNRHU-UHFFFAOYSA-N 0 3 346.395 1.846 20 5 EDBDHN CN(C)Cc1ccc(CN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000738515933 579190383 /nfs/dbraw/zinc/19/03/83/579190383.db2.gz FOEDWVBJECAGAN-UHFFFAOYSA-N 0 3 345.403 1.902 20 5 EDBDHN Cc1ccc(NCCCNC(=S)NCCN(C)C)c([N+](=O)[O-])c1 ZINC000739460374 579208848 /nfs/dbraw/zinc/20/88/48/579208848.db2.gz LMXYCHJWJCKMFH-UHFFFAOYSA-N 0 3 339.465 1.731 20 5 EDBDHN O=C([C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000750069631 579750973 /nfs/dbraw/zinc/75/09/73/579750973.db2.gz XSRGFHWBAIKEFB-NVXWUHKLSA-N 0 3 347.415 1.963 20 5 EDBDHN Cc1cc(F)cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000753094912 579872489 /nfs/dbraw/zinc/87/24/89/579872489.db2.gz RRVCDABFSTZCBO-OLZOCXBDSA-N 0 3 337.351 1.635 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCN1C ZINC000778290128 580460983 /nfs/dbraw/zinc/46/09/83/580460983.db2.gz RVMLZMVZTHWLCT-WCBMZHEXSA-N 0 3 335.389 1.812 20 5 EDBDHN CCN(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(C)C ZINC000795170650 580914970 /nfs/dbraw/zinc/91/49/70/580914970.db2.gz FXDLXEZXCFQLSD-UHFFFAOYSA-N 0 3 345.421 1.612 20 5 EDBDHN C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)NCCF ZINC000800498778 581054097 /nfs/dbraw/zinc/05/40/97/581054097.db2.gz QODBYKNUAZCAQM-GFCCVEGCSA-N 0 3 338.383 1.627 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CC[NH+](C)C)cc1F ZINC000866873544 590894932 /nfs/dbraw/zinc/89/49/32/590894932.db2.gz DVHUMTARYBEGHT-JTQLQIEISA-N 0 3 333.385 1.661 20 5 EDBDHN CN(CC(=O)N[C@@]1(C)CN2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000892776593 591171973 /nfs/dbraw/zinc/17/19/73/591171973.db2.gz FEWXERKWVBSDHY-KRWDZBQOSA-N 0 3 332.404 1.632 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895114834 591595713 /nfs/dbraw/zinc/59/57/13/591595713.db2.gz NGSBFHXOYYRYOO-LLVKDONJSA-N 0 3 340.811 1.800 20 5 EDBDHN CCO[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CN(C)C ZINC000900691590 592096559 /nfs/dbraw/zinc/09/65/59/592096559.db2.gz MRFMYTDTDXIWQK-LLVKDONJSA-N 0 3 329.784 1.945 20 5 EDBDHN CN1CCOC[C@]1(CO)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903278014 592149914 /nfs/dbraw/zinc/14/99/14/592149914.db2.gz KRGRLLUHGRJQCZ-DLBZAZTESA-N 0 3 335.404 1.255 20 5 EDBDHN CNCCN(C(C)C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000903591273 592235237 /nfs/dbraw/zinc/23/52/37/592235237.db2.gz LTENXRVVLNDTLE-UHFFFAOYSA-N 0 3 329.422 1.397 20 5 EDBDHN CCN1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910295559 592833400 /nfs/dbraw/zinc/83/34/00/592833400.db2.gz NIXBWKJIYMMEJC-CYBMUJFWSA-N 0 3 348.403 1.267 20 5 EDBDHN CN1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000911880440 593029703 /nfs/dbraw/zinc/02/97/03/593029703.db2.gz VUUTTXUFSWNMID-LLVKDONJSA-N 0 3 340.811 1.282 20 5 EDBDHN CN1CCC(N(CCO)C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000911940573 593040260 /nfs/dbraw/zinc/04/02/60/593040260.db2.gz RELNAIDZPTUIDJ-UHFFFAOYSA-N 0 3 335.404 1.443 20 5 EDBDHN CC(COC(=O)[C@@H]1CCCN1c1ncnc2ccccc21)[N+](=O)[O-] ZINC000813107678 593518325 /nfs/dbraw/zinc/51/83/25/593518325.db2.gz QJZAQFQZALUQCM-RISCZKNCSA-N 0 3 330.344 1.807 20 5 EDBDHN CC(COC(=O)c1cccc(N2CCCS2(=O)=O)c1)[N+](=O)[O-] ZINC000813107992 593518333 /nfs/dbraw/zinc/51/83/33/593518333.db2.gz ZXARJVJCTUDVPW-SNVBAGLBSA-N 0 3 328.346 1.049 20 5 EDBDHN CC(COC(=O)CCNC(=O)N1CCc2ccccc2C1)[N+](=O)[O-] ZINC000813114572 593518831 /nfs/dbraw/zinc/51/88/31/593518831.db2.gz CXITYPQPFPVNDN-LBPRGKRZSA-N 0 3 335.360 1.353 20 5 EDBDHN Cc1c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000816948635 593561997 /nfs/dbraw/zinc/56/19/97/593561997.db2.gz BOWDDHREYARWHQ-QMTHXVAHSA-N 0 3 334.332 1.588 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]2N)cn1 ZINC000818293727 593690306 /nfs/dbraw/zinc/69/03/06/593690306.db2.gz CIRDKWXDTYCKHC-WCQYABFASA-N 0 3 349.778 1.549 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000819717757 593764707 /nfs/dbraw/zinc/76/47/07/593764707.db2.gz KWERHOSOFDSLRH-DZGCQCFKSA-N 0 3 347.371 1.339 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000820263880 593804181 /nfs/dbraw/zinc/80/41/81/593804181.db2.gz INIDJEHADROSTE-XVKPBYJWSA-N 0 3 342.758 1.746 20 5 EDBDHN C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824605844 594046421 /nfs/dbraw/zinc/04/64/21/594046421.db2.gz MJCFFITUYYJSLB-JTQLQIEISA-N 0 3 328.336 1.322 20 5 EDBDHN O=C1OCCN1C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830124792 594340586 /nfs/dbraw/zinc/34/05/86/594340586.db2.gz PPXKHYBESDWVIF-IUODEOHRSA-N 0 3 335.360 1.402 20 5 EDBDHN CC1(C)CCCN(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000831195873 594578902 /nfs/dbraw/zinc/57/89/02/594578902.db2.gz NBYRRYZTTQJKQE-OAHLLOKOSA-N 0 3 335.404 1.866 20 5 EDBDHN CCO[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])CN(C)C ZINC000831744024 594698609 /nfs/dbraw/zinc/69/86/09/594698609.db2.gz MYXJILQCIAGFRK-CYBMUJFWSA-N 0 3 338.408 1.114 20 5 EDBDHN CC(C)N1CCO[C@H](C(=N)NOCc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000842649968 595157112 /nfs/dbraw/zinc/15/71/12/595157112.db2.gz WRMFSWCQPDIQMH-AWEZNQCLSA-N 0 3 340.355 1.842 20 5 EDBDHN Cc1ccccc1[C@@H](O)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843075624 595281868 /nfs/dbraw/zinc/28/18/68/595281868.db2.gz URXYKVGFRAVOIL-YOEHRIQHSA-N 0 3 346.383 1.966 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H](O)c1ccsc1 ZINC000843083388 595282944 /nfs/dbraw/zinc/28/29/44/595282944.db2.gz HLLCDNZWHFVATF-TZMCWYRMSA-N 0 3 338.385 1.719 20 5 EDBDHN C[C@@H]1COCCN1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846911010 595336144 /nfs/dbraw/zinc/33/61/44/595336144.db2.gz GIIVYGBUEJADFP-KDOFPFPSSA-N 0 3 349.431 1.813 20 5 EDBDHN C[C@@H]1CC[C@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000848531138 595403159 /nfs/dbraw/zinc/40/31/59/595403159.db2.gz NALQJTOSNFUIFL-DZGBDDFRSA-N 0 3 326.418 1.863 20 5 EDBDHN CCN(C)C[C@H](O)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000848674573 595426571 /nfs/dbraw/zinc/42/65/71/595426571.db2.gz GHNIWJGXTJJUII-VIFPVBQESA-N 0 3 340.767 1.271 20 5 EDBDHN COCCN1CCC(OC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000847886043 595497071 /nfs/dbraw/zinc/49/70/71/595497071.db2.gz VMOTVTFLVQMLIG-UHFFFAOYSA-N 0 3 338.360 1.871 20 5 EDBDHN C[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000857766751 595600840 /nfs/dbraw/zinc/60/08/40/595600840.db2.gz RWIKSAKKEBFVCT-ZJUUUORDSA-N 0 3 329.303 1.823 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCN3C)C2)ccc1[N+](=O)[O-] ZINC000867812738 596564902 /nfs/dbraw/zinc/56/49/02/596564902.db2.gz LUBRANTWCGSMEG-IUODEOHRSA-N 0 3 339.417 1.618 20 5 EDBDHN CN1CC[C@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000867815005 596566140 /nfs/dbraw/zinc/56/61/40/596566140.db2.gz WPVOAEVHGUVOEJ-DZGCQCFKSA-N 0 3 339.417 1.451 20 5 EDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000866384513 596872271 /nfs/dbraw/zinc/87/22/71/596872271.db2.gz ZFMIXUVEFYYATM-GXFFZTMASA-N 0 3 345.396 1.288 20 5 EDBDHN COc1ccc(CC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874840192 597194247 /nfs/dbraw/zinc/19/42/47/597194247.db2.gz KRZOHZVHEMBUEE-KGLIPLIRSA-N 0 3 333.388 1.841 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878022018 597569943 /nfs/dbraw/zinc/56/99/43/597569943.db2.gz VEYVNANGIYZEJG-LBPRGKRZSA-N 0 3 349.387 1.970 20 5 EDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCNCCC23CCC3)cc1 ZINC000883478600 597767790 /nfs/dbraw/zinc/76/77/90/597767790.db2.gz PUBKNCMWWSZTFG-UHFFFAOYSA-N 0 3 339.417 1.643 20 5 EDBDHN O=C(c1ccnnc1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000997035483 703287521 /nfs/dbraw/zinc/28/75/21/703287521.db2.gz AXXJJAFRMWUKAO-UHFFFAOYSA-N 0 3 347.400 1.841 20 5 EDBDHN CCc1nocc1CN1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001005375694 708732631 /nfs/dbraw/zinc/73/26/31/708732631.db2.gz OYURLFUFXXZMSR-UKRRQHHQSA-N 0 3 336.392 1.325 20 5 EDBDHN CC(C)CN1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000053782187 214197671 /nfs/dbraw/zinc/19/76/71/214197671.db2.gz UKIZGBAQYIHUTN-UHFFFAOYSA-N 0 3 346.431 1.758 20 5 EDBDHN CCc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184317128 529606244 /nfs/dbraw/zinc/60/62/44/529606244.db2.gz UAUNCGKJTKIXKL-AWEZNQCLSA-N 0 3 348.447 1.913 20 5 EDBDHN C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)N(C)C ZINC000412388473 304004454 /nfs/dbraw/zinc/00/44/54/304004454.db2.gz NGMFHACBWFDTGR-NSHDSACASA-N 0 3 332.360 1.588 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000184411919 235391635 /nfs/dbraw/zinc/39/16/35/235391635.db2.gz VSYONQOWDPRUQE-LBPRGKRZSA-N 0 3 338.383 1.490 20 5 EDBDHN CCC(=O)N1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077387588 138252450 /nfs/dbraw/zinc/25/24/50/138252450.db2.gz LHCJZCDWKFOLBI-UHFFFAOYSA-N 0 3 348.403 1.868 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000447242682 305276118 /nfs/dbraw/zinc/27/61/18/305276118.db2.gz DAIHFLHWUXZYBR-GFCCVEGCSA-N 0 3 327.406 1.699 20 5 EDBDHN CC1(C)C[C@H](NC[C@H](O)Cn2ccnn2)c2cc([N+](=O)[O-])ccc21 ZINC000414196065 304105222 /nfs/dbraw/zinc/10/52/22/304105222.db2.gz UZNBZDCGFCIQJL-WFASDCNBSA-N 0 3 331.376 1.559 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000078508608 217066419 /nfs/dbraw/zinc/06/64/19/217066419.db2.gz PFNLWZAEJNLXGQ-UHFFFAOYSA-N 0 3 329.784 1.898 20 5 EDBDHN Cc1ccc(CN2CCN(C(=O)CN3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093046699 218189002 /nfs/dbraw/zinc/18/90/02/218189002.db2.gz KVTHEEUQSVTZAF-UHFFFAOYSA-N 0 3 346.431 1.643 20 5 EDBDHN CNC(=O)[C@@H](C)CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093898684 218256577 /nfs/dbraw/zinc/25/65/77/218256577.db2.gz FYGGWXMONDRHNW-LBPRGKRZSA-N 0 3 345.403 1.809 20 5 EDBDHN COc1ccc(CN2CCNC[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261764600 139224073 /nfs/dbraw/zinc/22/40/73/139224073.db2.gz NKBDXSUISWVWES-AWEZNQCLSA-N 0 3 331.376 1.483 20 5 EDBDHN N[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261785562 139225794 /nfs/dbraw/zinc/22/57/94/139225794.db2.gz PTTICCGABUGVRN-LSDHHAIUSA-N 0 3 341.367 1.927 20 5 EDBDHN C[C@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262793724 139303939 /nfs/dbraw/zinc/30/39/39/139303939.db2.gz SKVXSWPCRASILS-GZMMTYOYSA-N 0 3 333.797 1.525 20 5 EDBDHN CN1CCN(CCCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000263684266 139352580 /nfs/dbraw/zinc/35/25/80/139352580.db2.gz HKTUSNDSCREONQ-UHFFFAOYSA-N 0 3 347.419 1.529 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000263910868 139368988 /nfs/dbraw/zinc/36/89/88/139368988.db2.gz MDWGWWICJXTBML-NSHDSACASA-N 0 3 342.783 1.826 20 5 EDBDHN CCN(CC)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118095118 221115362 /nfs/dbraw/zinc/11/53/62/221115362.db2.gz CSSZMVLIBDPSRC-UHFFFAOYSA-N 0 3 342.783 1.645 20 5 EDBDHN CN(C[C@H]1CCN(C)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264103052 139380609 /nfs/dbraw/zinc/38/06/09/139380609.db2.gz AVSXHPPTCIVMKZ-NSHDSACASA-N 0 3 335.360 1.390 20 5 EDBDHN COc1ccc(CNC(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000264331738 139397900 /nfs/dbraw/zinc/39/79/00/139397900.db2.gz WVLYAWPQVXPFOX-LLVKDONJSA-N 0 3 336.392 1.885 20 5 EDBDHN COC[C@@](C)(CCO)NCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000267942790 139694723 /nfs/dbraw/zinc/69/47/23/139694723.db2.gz OFHNCJASERMAQN-OAHLLOKOSA-N 0 3 328.365 1.359 20 5 EDBDHN NC(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000271304482 140274322 /nfs/dbraw/zinc/27/43/22/140274322.db2.gz LBYHZESIESNFQZ-HNNXBMFYSA-N 0 3 343.387 1.895 20 5 EDBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000416310369 304308529 /nfs/dbraw/zinc/30/85/29/304308529.db2.gz ZPFKMPHXOGCEAG-UHFFFAOYSA-N 0 3 329.360 1.605 20 5 EDBDHN CN1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C(C)(C)C1 ZINC000332076034 141118539 /nfs/dbraw/zinc/11/85/39/141118539.db2.gz WWMJVJOWTDOAFF-UHFFFAOYSA-N 0 3 348.403 1.919 20 5 EDBDHN C[C@]1(CO)CCC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332184592 141136661 /nfs/dbraw/zinc/13/66/61/141136661.db2.gz WKUGSEDWQJYWTR-HLLBOEOZSA-N 0 3 333.388 1.841 20 5 EDBDHN CCN1C[C@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332340652 141165337 /nfs/dbraw/zinc/16/53/37/141165337.db2.gz SCHZQIVLWCLWKA-KBPBESRZSA-N 0 3 346.431 1.898 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCN(C)C2)c1C ZINC000416495419 304324551 /nfs/dbraw/zinc/32/45/51/304324551.db2.gz LUJNJBXUUIJNAI-GFCCVEGCSA-N 0 3 327.406 1.442 20 5 EDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H](C)C1 ZINC000346174334 143175049 /nfs/dbraw/zinc/17/50/49/143175049.db2.gz CUGLPNUTQZNIRP-MISXGVKJSA-N 0 3 333.392 1.374 20 5 EDBDHN C[C@H]1[C@@H](N(C)CCO)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000347121312 143284988 /nfs/dbraw/zinc/28/49/88/143284988.db2.gz CZNAQPRDUCTVOE-FZMZJTMJSA-N 0 3 346.387 1.603 20 5 EDBDHN C[C@@H]1[C@@H](N(C)CCO)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000347121318 143285053 /nfs/dbraw/zinc/28/50/53/143285053.db2.gz CZNAQPRDUCTVOE-RISCZKNCSA-N 0 3 346.387 1.603 20 5 EDBDHN C[C@H]1CN(CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCCO1 ZINC000347211803 143295358 /nfs/dbraw/zinc/29/53/58/143295358.db2.gz ULYPUPSGLIUNGE-LBPRGKRZSA-N 0 3 339.367 1.965 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC(C)(C)CN(C)C)c1C ZINC000416508028 304327004 /nfs/dbraw/zinc/32/70/04/304327004.db2.gz NJOWNYCXUDPOGG-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN CO[C@@H]1C[C@H](CN2CCCC2)N(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000348075393 285842264 /nfs/dbraw/zinc/84/22/64/285842264.db2.gz PRUQOHPFOMAKCC-CHWSQXEVSA-N 0 3 349.391 1.129 20 5 EDBDHN Cc1cccc2c1OCC[C@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573111795 306612240 /nfs/dbraw/zinc/61/22/40/306612240.db2.gz OMOMNLZOUMXUAZ-UKRRQHHQSA-N 0 3 332.360 1.574 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1CCN[C@H]1CCCS(=O)(=O)C1 ZINC000352966456 149232483 /nfs/dbraw/zinc/23/24/83/149232483.db2.gz ITOATDXWIZCYNB-LBPRGKRZSA-N 0 3 332.809 1.958 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)Cn1cccn1 ZINC000354920707 150032843 /nfs/dbraw/zinc/03/28/43/150032843.db2.gz OCAPWXUJWSEUNX-LLVKDONJSA-N 0 3 333.348 1.417 20 5 EDBDHN COC(=O)COc1ccc(CN(C)CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000354982582 150064731 /nfs/dbraw/zinc/06/47/31/150064731.db2.gz QPBUXQVWJJARLJ-UHFFFAOYSA-N 0 3 338.360 1.493 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000357385294 151014359 /nfs/dbraw/zinc/01/43/59/151014359.db2.gz FUOJWXAJYWNLIR-BXUZGUMPSA-N 0 3 349.387 1.984 20 5 EDBDHN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000357661389 151106858 /nfs/dbraw/zinc/10/68/58/151106858.db2.gz FVHOGNHPZYJUFH-VIFPVBQESA-N 0 3 335.813 1.867 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000370082658 155316815 /nfs/dbraw/zinc/31/68/15/155316815.db2.gz OLYBZEXIWGZECQ-WFASDCNBSA-N 0 3 348.403 1.568 20 5 EDBDHN Cc1cc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000361010224 152277824 /nfs/dbraw/zinc/27/78/24/152277824.db2.gz BXQBEYIWHAJWQL-INIZCTEOSA-N 0 3 346.431 1.755 20 5 EDBDHN CCC(=O)N1CCC[C@H]1[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000363593485 153008880 /nfs/dbraw/zinc/00/88/80/153008880.db2.gz YPRCHDRPVKTNAE-KGLIPLIRSA-N 0 3 335.408 1.657 20 5 EDBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000364114045 153148591 /nfs/dbraw/zinc/14/85/91/153148591.db2.gz ZIEGPSGZIRWFLI-OAHLLOKOSA-N 0 3 346.387 1.149 20 5 EDBDHN CCOc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000364468246 153246520 /nfs/dbraw/zinc/24/65/20/153246520.db2.gz ZALQOYGVMMPIPK-ZIAGYGMSSA-N 0 3 349.387 1.587 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2cn[nH]c2)CC1 ZINC000371711788 156073579 /nfs/dbraw/zinc/07/35/79/156073579.db2.gz WEPMVNOEQSWNLP-OAHLLOKOSA-N 0 3 346.387 1.937 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000374305843 157234403 /nfs/dbraw/zinc/23/44/03/157234403.db2.gz ACTMZTNLVWDZEA-LSDHHAIUSA-N 0 3 343.387 1.314 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000116795517 287347256 /nfs/dbraw/zinc/34/72/56/287347256.db2.gz SOGRYMSIJJVJHC-YVZNUBBCSA-N 0 3 337.351 1.536 20 5 EDBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000158985285 225122095 /nfs/dbraw/zinc/12/20/95/225122095.db2.gz ZPAUMKDGXYOXOK-CYBMUJFWSA-N 0 3 329.360 1.712 20 5 EDBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000158985285 225122099 /nfs/dbraw/zinc/12/20/99/225122099.db2.gz ZPAUMKDGXYOXOK-CYBMUJFWSA-N 0 3 329.360 1.712 20 5 EDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000122450016 222090695 /nfs/dbraw/zinc/09/06/95/222090695.db2.gz QJZGKCNJYSPJSR-MNOVXSKESA-N 0 3 345.446 1.761 20 5 EDBDHN CN(C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276121712 268399113 /nfs/dbraw/zinc/39/91/13/268399113.db2.gz YJCHRDLAQLXUGY-UHFFFAOYSA-N 0 3 329.422 1.998 20 5 EDBDHN CN(C)CC1(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000351625415 273794448 /nfs/dbraw/zinc/79/44/48/273794448.db2.gz YBIYYZMEKBECJS-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000188375520 276093658 /nfs/dbraw/zinc/09/36/58/276093658.db2.gz TUXPMPARFLWIQC-UHFFFAOYSA-N 0 3 334.420 1.894 20 5 EDBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000286003667 287912538 /nfs/dbraw/zinc/91/25/38/287912538.db2.gz IVRPCZQQUQZPPV-ZDUSSCGKSA-N 0 3 347.375 1.370 20 5 EDBDHN CN1CCC2(CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000371411119 277037257 /nfs/dbraw/zinc/03/72/57/277037257.db2.gz LMZNAPJBNCBUNP-UHFFFAOYSA-N 0 3 336.396 1.061 20 5 EDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247133776 277083912 /nfs/dbraw/zinc/08/39/12/277083912.db2.gz RVDHGVRFGAHMAT-QWHCGFSZSA-N 0 3 339.417 1.700 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000358066072 277158662 /nfs/dbraw/zinc/15/86/62/277158662.db2.gz MBBBFAVBYUQSOI-CYBMUJFWSA-N 0 3 347.293 1.410 20 5 EDBDHN COCCCN(C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000266280811 277204811 /nfs/dbraw/zinc/20/48/11/277204811.db2.gz GHELGKXKUHJFJC-UHFFFAOYSA-N 0 3 338.408 1.116 20 5 EDBDHN COC(=O)CCN1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182113994 277318380 /nfs/dbraw/zinc/31/83/80/277318380.db2.gz BHALGYULGYUWQS-CQSZACIVSA-N 0 3 335.404 1.707 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@H]1CCO ZINC000286310839 287979424 /nfs/dbraw/zinc/97/94/24/287979424.db2.gz WBJRKJBEMISHBC-WCQYABFASA-N 0 3 337.376 1.683 20 5 EDBDHN CCN(CC)[C@@H](C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151740656 279145523 /nfs/dbraw/zinc/14/55/23/279145523.db2.gz ABPTVZVUWFETEJ-LBPRGKRZSA-N 0 3 329.422 1.745 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN(C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000089952653 280376687 /nfs/dbraw/zinc/37/66/87/280376687.db2.gz OQKBLWPAPJTITH-OLZOCXBDSA-N 0 3 326.422 1.778 20 5 EDBDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000265008683 288311937 /nfs/dbraw/zinc/31/19/37/288311937.db2.gz WPXHLINERZWAKQ-NEPJUHHUSA-N 0 3 347.371 1.675 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000289940256 288807838 /nfs/dbraw/zinc/80/78/38/288807838.db2.gz WXPNOXBMUQLTDQ-CQSZACIVSA-N 0 3 336.392 1.952 20 5 EDBDHN CON(C)C(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000291710455 289157916 /nfs/dbraw/zinc/15/79/16/289157916.db2.gz IOCAYOCFCYGHOU-UHFFFAOYSA-N 0 3 337.376 1.705 20 5 EDBDHN COc1ccc(OCCN(CCO)[C@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000361587838 295186015 /nfs/dbraw/zinc/18/60/15/295186015.db2.gz XBRDODWIUQRPLV-OCCSQVGLSA-N 0 3 340.376 1.454 20 5 EDBDHN C[C@@H]1C[C@@H]1N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)C1 ZINC000488747888 297305913 /nfs/dbraw/zinc/30/59/13/297305913.db2.gz FZZLGNWLJRKFLN-XQQFMLRXSA-N 0 3 330.392 1.804 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000294050682 303055951 /nfs/dbraw/zinc/05/59/51/303055951.db2.gz LIWVLZDNTYFSAA-UHFFFAOYSA-N 0 3 348.319 1.513 20 5 EDBDHN C[C@@H]1CSC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295304160 303202415 /nfs/dbraw/zinc/20/24/15/303202415.db2.gz XYEKIXQLUFCUCR-MNOVXSKESA-N 0 3 345.446 1.214 20 5 EDBDHN COC[C@]1(C(=O)OC)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296350127 303312565 /nfs/dbraw/zinc/31/25/65/303312565.db2.gz QJJGSPMIPICJES-INIZCTEOSA-N 0 3 338.360 1.485 20 5 EDBDHN C[C@@H]1C[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000296383552 303314417 /nfs/dbraw/zinc/31/44/17/303314417.db2.gz KQBRZYPMTSGEOL-JTNHKYCSSA-N 0 3 343.405 1.029 20 5 EDBDHN CN(C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000298987284 303575832 /nfs/dbraw/zinc/57/58/32/303575832.db2.gz HHCGNZLMWYRGBC-UHFFFAOYSA-N 0 3 332.360 1.793 20 5 EDBDHN Cc1nn(C)c(NCCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000301573654 303685010 /nfs/dbraw/zinc/68/50/10/303685010.db2.gz PEMQIHMTCGJRJK-VXGBXAGGSA-N 0 3 325.413 1.938 20 5 EDBDHN CN(C)C[C@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CCO1 ZINC000302072246 303711296 /nfs/dbraw/zinc/71/12/96/303711296.db2.gz ZDXOUVAUUAYHLF-NSHDSACASA-N 0 3 331.319 1.963 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000427934145 305001677 /nfs/dbraw/zinc/00/16/77/305001677.db2.gz UCPRRNQZCBVAOZ-SECBINFHSA-N 0 3 349.384 1.538 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)n1 ZINC000428539434 305011092 /nfs/dbraw/zinc/01/10/92/305011092.db2.gz SJYVKKPGDFVCPC-ZDUSSCGKSA-N 0 3 345.359 1.147 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCCO[C@@H](C)C2)n1 ZINC000432562228 305093904 /nfs/dbraw/zinc/09/39/04/305093904.db2.gz JCTFNTMBBDKLSH-LBPRGKRZSA-N 0 3 339.396 1.042 20 5 EDBDHN Cc1cnn(CC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000438712358 305188476 /nfs/dbraw/zinc/18/84/76/305188476.db2.gz HHHQKQZORUSRRE-INIZCTEOSA-N 0 3 348.407 1.069 20 5 EDBDHN COc1c(C(=O)NC[C@@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000452348774 305391023 /nfs/dbraw/zinc/39/10/23/305391023.db2.gz ANZJGVXROGITQY-LBPRGKRZSA-N 0 3 337.376 1.180 20 5 EDBDHN CC(C)c1n[nH]c(C(=O)NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000452362338 305392712 /nfs/dbraw/zinc/39/27/12/305392712.db2.gz KTOBFCBXVVQEIP-LLVKDONJSA-N 0 3 339.396 1.018 20 5 EDBDHN CC(C)(C(=O)NC[C@@H]1CCCCN1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000452389007 305397113 /nfs/dbraw/zinc/39/71/13/305397113.db2.gz KWUIMMVUQPWMPJ-INIZCTEOSA-N 0 3 349.431 1.835 20 5 EDBDHN CCc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000515885586 305729840 /nfs/dbraw/zinc/72/98/40/305729840.db2.gz XWRBOMIFNPQFIP-KRWDZBQOSA-N 0 3 333.388 1.344 20 5 EDBDHN NC[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000516768913 305741416 /nfs/dbraw/zinc/74/14/16/305741416.db2.gz GCPBFXTWPOAAEQ-HNNXBMFYSA-N 0 3 347.396 1.842 20 5 EDBDHN CC(C)OCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532397878 305982987 /nfs/dbraw/zinc/98/29/87/305982987.db2.gz PBGWHLZABUSARF-UHFFFAOYSA-N 0 3 336.392 1.609 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H](CO)[C@@H](O)C3)o2)c1 ZINC000554742187 306197395 /nfs/dbraw/zinc/19/73/95/306197395.db2.gz ULINFNQOVSSJEH-ZFWWWQNUSA-N 0 3 347.371 1.467 20 5 EDBDHN CN1CCNC[C@@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414959446 447374122 /nfs/dbraw/zinc/37/41/22/447374122.db2.gz FOFDJTVVCDXCEG-OAHLLOKOSA-N 0 3 330.388 1.848 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC[NH2+]CC2)c(Cl)c1 ZINC000044509044 440851561 /nfs/dbraw/zinc/85/15/61/440851561.db2.gz CKOXNHYPOPADIM-UHFFFAOYSA-N 0 3 333.797 1.526 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)CC(C)C ZINC000415434863 447435742 /nfs/dbraw/zinc/43/57/42/447435742.db2.gz WRHUBXWWDBEVHE-LBPRGKRZSA-N 0 3 336.392 1.585 20 5 EDBDHN C[C@H]1CCCCN1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000047144651 441159236 /nfs/dbraw/zinc/15/92/36/441159236.db2.gz ULPHGEAPCNOGPC-ZDUSSCGKSA-N 0 3 348.403 1.315 20 5 EDBDHN C[C@@H]1CCCN(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000047148052 441160554 /nfs/dbraw/zinc/16/05/54/441160554.db2.gz MRWBTLDDIDSFDG-CYBMUJFWSA-N 0 3 348.403 1.173 20 5 EDBDHN C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000105090241 441232683 /nfs/dbraw/zinc/23/26/83/441232683.db2.gz YEDDITJXERFTMG-GFCCVEGCSA-N 0 3 335.408 1.789 20 5 EDBDHN Cc1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000081764976 441310914 /nfs/dbraw/zinc/31/09/14/441310914.db2.gz DRMLFYZEHDXXIF-CYBMUJFWSA-N 0 3 349.435 1.099 20 5 EDBDHN O=[N+]([O-])c1ccc2oc(CN3CCN(C[C@H]4CCOC4)CC3)nc2c1 ZINC000083250095 441359453 /nfs/dbraw/zinc/35/94/53/441359453.db2.gz OEQHXLPTFWLYFN-CYBMUJFWSA-N 0 3 346.387 1.890 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000073842217 441359689 /nfs/dbraw/zinc/35/96/89/441359689.db2.gz FFWTXKZOVOLDQU-GFCCVEGCSA-N 0 3 339.417 1.666 20 5 EDBDHN COC1CCN(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087460492 441491755 /nfs/dbraw/zinc/49/17/55/441491755.db2.gz AAVHSCMFLHVAMP-UHFFFAOYSA-N 0 3 335.404 1.754 20 5 EDBDHN Cc1cc(N2CCC[C@H](CN3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000074747436 441462797 /nfs/dbraw/zinc/46/27/97/441462797.db2.gz QEHZETPXULCLKP-OAHLLOKOSA-N 0 3 333.436 1.762 20 5 EDBDHN COCCN(C)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000067274276 441623086 /nfs/dbraw/zinc/62/30/86/441623086.db2.gz RNNNYDDSOUQOLV-UHFFFAOYSA-N 0 3 325.365 1.058 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)CN1CCCC1 ZINC000055265228 441635567 /nfs/dbraw/zinc/63/55/67/441635567.db2.gz XIFXHVUNCAKUED-GFCCVEGCSA-N 0 3 341.433 1.913 20 5 EDBDHN CCN(C)CCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000091461645 441703583 /nfs/dbraw/zinc/70/35/83/441703583.db2.gz URJGDFUFTFBFMB-UHFFFAOYSA-N 0 3 336.392 1.431 20 5 EDBDHN Cc1c(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000041669665 441668641 /nfs/dbraw/zinc/66/86/41/441668641.db2.gz ATIJDZNYURERBA-LBPRGKRZSA-N 0 3 348.403 1.690 20 5 EDBDHN COCCN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000142439747 441863434 /nfs/dbraw/zinc/86/34/34/441863434.db2.gz HZFHXZITFAJTJJ-UHFFFAOYSA-N 0 3 340.355 1.157 20 5 EDBDHN CCc1ccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000043271970 441827371 /nfs/dbraw/zinc/82/73/71/441827371.db2.gz NFCCCEYWCWQZNU-HNNXBMFYSA-N 0 3 345.403 1.773 20 5 EDBDHN COCCN(CCOC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000150209735 441931022 /nfs/dbraw/zinc/93/10/22/441931022.db2.gz WSARWZKEVAGZKW-UHFFFAOYSA-N 0 3 339.392 1.827 20 5 EDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)C1 ZINC000069469429 441945111 /nfs/dbraw/zinc/94/51/11/441945111.db2.gz ZCQPCQHIABDTLC-HNNXBMFYSA-N 0 3 348.403 1.853 20 5 EDBDHN C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C)C1 ZINC000150974061 441984558 /nfs/dbraw/zinc/98/45/58/441984558.db2.gz KEIQQFSFDMMSMN-STQMWFEESA-N 0 3 338.412 1.211 20 5 EDBDHN CCCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000175359916 442048381 /nfs/dbraw/zinc/04/83/81/442048381.db2.gz YCXJLDOVRBEXIA-UHFFFAOYSA-N 0 3 329.422 1.913 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cccc(CN(C)C)c1 ZINC000126140653 442083090 /nfs/dbraw/zinc/08/30/90/442083090.db2.gz QTAWSENGLOQESI-UHFFFAOYSA-N 0 3 345.403 1.868 20 5 EDBDHN CN(C)CCOc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000162709431 442116740 /nfs/dbraw/zinc/11/67/40/442116740.db2.gz GVZINGCCBDEGNR-UHFFFAOYSA-N 0 3 333.348 1.521 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000177531114 442354217 /nfs/dbraw/zinc/35/42/17/442354217.db2.gz SKJOISOOLDFMTB-ZDUSSCGKSA-N 0 3 334.376 1.394 20 5 EDBDHN C[C@H]1CCCC[C@@]1(C[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000178980468 442543912 /nfs/dbraw/zinc/54/39/12/442543912.db2.gz OYSJNRNVOOXUPZ-FZMZJTMJSA-N 0 3 327.406 1.781 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000186753587 442606021 /nfs/dbraw/zinc/60/60/21/442606021.db2.gz HLCAHGDQIHHUOA-UHFFFAOYSA-N 0 3 343.387 1.947 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCN(C2CC2)CC1 ZINC000181643669 442707970 /nfs/dbraw/zinc/70/79/70/442707970.db2.gz ZSTFCKIYQWNIIK-HNNXBMFYSA-N 0 3 335.404 1.505 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(C2CCCC2)CC1 ZINC000182205614 442745221 /nfs/dbraw/zinc/74/52/21/442745221.db2.gz ZXWYTKSBTSDOOK-MRXNPFEDSA-N 0 3 349.431 1.895 20 5 EDBDHN CN(CCc1ccncc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182329971 442757605 /nfs/dbraw/zinc/75/76/05/442757605.db2.gz YEFVMYRXXBPGQG-HNNXBMFYSA-N 0 3 331.372 1.904 20 5 EDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188907854 442840712 /nfs/dbraw/zinc/84/07/12/442840712.db2.gz QOXYSWJYZZGXGU-LBPRGKRZSA-N 0 3 334.376 1.334 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CO)c2ccccc2)c1 ZINC000182924416 442848266 /nfs/dbraw/zinc/84/82/66/442848266.db2.gz QYTYTBUMLAFNEC-DOTOQJQBSA-N 0 3 332.356 1.658 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000268310172 442941941 /nfs/dbraw/zinc/94/19/41/442941941.db2.gz ZDDQTMIYLNNCCW-OCCSQVGLSA-N 0 3 341.433 1.782 20 5 EDBDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000189406575 442942989 /nfs/dbraw/zinc/94/29/89/442942989.db2.gz UYOUORDNIBIMOZ-RYUDHWBXSA-N 0 3 336.392 1.768 20 5 EDBDHN C[C@H]1CN(CC(C)(C)O)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000189421338 442948386 /nfs/dbraw/zinc/94/83/86/442948386.db2.gz AAFQRPCFJWTTEL-AWEZNQCLSA-N 0 3 337.420 1.751 20 5 EDBDHN COCCN(C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184581575 443043465 /nfs/dbraw/zinc/04/34/65/443043465.db2.gz VINSXPHPRKYJJL-UHFFFAOYSA-N 0 3 344.799 1.626 20 5 EDBDHN CCO[C@H]1C[C@](CO)(NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000190009024 443047000 /nfs/dbraw/zinc/04/70/00/443047000.db2.gz KAPUFVKAQJBSBL-YQQAZPJKSA-N 0 3 338.404 1.784 20 5 EDBDHN CCOC(=O)c1ccnc(NCCN(C)CCCOC)c1[N+](=O)[O-] ZINC000266213836 443060423 /nfs/dbraw/zinc/06/04/23/443060423.db2.gz GTTKYSDKXKECJD-UHFFFAOYSA-N 0 3 340.380 1.547 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000299204255 318887842 /nfs/dbraw/zinc/88/78/42/318887842.db2.gz GRTJZRDAWVFKJU-RISCZKNCSA-N 0 3 334.376 1.250 20 5 EDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCN(CC)C1 ZINC000412829732 319243719 /nfs/dbraw/zinc/24/37/19/319243719.db2.gz ACXCBAYIDHQWLP-NEPJUHHUSA-N 0 3 338.412 1.038 20 5 EDBDHN COCCN1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000264571353 443331805 /nfs/dbraw/zinc/33/18/05/443331805.db2.gz HPXUHZMJLFFGKZ-GFCCVEGCSA-N 0 3 334.376 1.612 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000272630068 443388832 /nfs/dbraw/zinc/38/88/32/443388832.db2.gz NCCONWZDFZFQQK-HZMBPMFUSA-N 0 3 329.360 1.637 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272582581 443371560 /nfs/dbraw/zinc/37/15/60/443371560.db2.gz GXBKKCBWNBGZFJ-DZGCQCFKSA-N 0 3 333.388 1.916 20 5 EDBDHN CSC1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CCN(C)CC1 ZINC000420624459 319630640 /nfs/dbraw/zinc/63/06/40/319630640.db2.gz GZSJIIXFZGHNMR-UHFFFAOYSA-N 0 3 338.433 1.933 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CCN(C[C@H]2CCOC2)CC1 ZINC000267439104 443457822 /nfs/dbraw/zinc/45/78/22/443457822.db2.gz PCXHYJWTSUDDOR-OAHLLOKOSA-N 0 3 335.404 1.628 20 5 EDBDHN COC(=O)[C@H](C)CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039339 443525934 /nfs/dbraw/zinc/52/59/34/443525934.db2.gz OPYOSVOBYHDQOA-NEPJUHHUSA-N 0 3 326.349 1.075 20 5 EDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000273044488 443527514 /nfs/dbraw/zinc/52/75/14/443527514.db2.gz PRLNZFFSTKYLHI-NVXWUHKLSA-N 0 3 346.383 2.000 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000265423097 443637905 /nfs/dbraw/zinc/63/79/05/443637905.db2.gz RJRWHRKHMRNHBA-LBPRGKRZSA-N 0 3 338.364 1.398 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272336398 443595107 /nfs/dbraw/zinc/59/51/07/443595107.db2.gz NPUTWDFIQXWANW-JOYOIKCWSA-N 0 3 333.344 1.536 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272336397 443595538 /nfs/dbraw/zinc/59/55/38/443595538.db2.gz NPUTWDFIQXWANW-CABZTGNLSA-N 0 3 333.344 1.536 20 5 EDBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286155132 443657454 /nfs/dbraw/zinc/65/74/54/443657454.db2.gz WBKNYGLAXMSVRJ-KBRIMQKVSA-N 0 3 335.404 1.423 20 5 EDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000440071567 320061542 /nfs/dbraw/zinc/06/15/42/320061542.db2.gz BKJHJEHCAVXLNJ-GFCCVEGCSA-N 0 3 329.422 1.745 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448974966 320168226 /nfs/dbraw/zinc/16/82/26/320168226.db2.gz FCPWEGFHAFLAGX-CYBMUJFWSA-N 0 3 329.360 1.605 20 5 EDBDHN CCN1CCN(CCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000298453929 443772223 /nfs/dbraw/zinc/77/22/23/443772223.db2.gz HTOLXJONYDJPNF-CMDGGOBGSA-N 0 3 346.431 1.752 20 5 EDBDHN CN(C)CC1(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCC1 ZINC000281138984 443830253 /nfs/dbraw/zinc/83/02/53/443830253.db2.gz UZLWEDHAJJVGJE-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000281553233 443942296 /nfs/dbraw/zinc/94/22/96/443942296.db2.gz CGUUYGUUKDGNKK-UHFFFAOYSA-N 0 3 337.380 1.941 20 5 EDBDHN COC[C@H](C)OC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285412811 443975466 /nfs/dbraw/zinc/97/54/66/443975466.db2.gz UYUADMOIIAECAI-ZFWWWQNUSA-N 0 3 326.393 1.482 20 5 EDBDHN O=c1nc([C@@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)[nH][n-]1 ZINC000288801940 443986871 /nfs/dbraw/zinc/98/68/71/443986871.db2.gz CZVWMBSKHAEOAJ-GFCCVEGCSA-N 0 3 347.375 1.655 20 5 EDBDHN O=c1nc([C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)[nH][n-]1 ZINC000288801940 443986873 /nfs/dbraw/zinc/98/68/73/443986873.db2.gz CZVWMBSKHAEOAJ-GFCCVEGCSA-N 0 3 347.375 1.655 20 5 EDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285639276 444056635 /nfs/dbraw/zinc/05/66/35/444056635.db2.gz LELAZWXOEAGWRV-DOMZBBRYSA-N 0 3 346.387 1.619 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000289557912 444171394 /nfs/dbraw/zinc/17/13/94/444171394.db2.gz ORLWBILZAKBLCW-AWEZNQCLSA-N 0 3 337.376 1.683 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc([O-])c(F)c2)c1 ZINC000574393720 321482572 /nfs/dbraw/zinc/48/25/72/321482572.db2.gz UTHZOFGCQAESNV-ZDUSSCGKSA-N 0 3 336.319 1.969 20 5 EDBDHN O=C1CC[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000296299296 444218362 /nfs/dbraw/zinc/21/83/62/444218362.db2.gz IGXYOXRUDFBPQY-CQSZACIVSA-N 0 3 332.404 1.633 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000296330486 444221128 /nfs/dbraw/zinc/22/11/28/444221128.db2.gz QRFACZAQXLERID-XZJROXQQSA-N 0 3 349.387 1.945 20 5 EDBDHN C[C@@H]1CN(CCCCNc2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](C)O1 ZINC000301973353 444198958 /nfs/dbraw/zinc/19/89/58/444198958.db2.gz UVKVQTYQQKRCAA-BETUJISGSA-N 0 3 348.407 1.939 20 5 EDBDHN COc1ccccc1[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304331548 444247416 /nfs/dbraw/zinc/24/74/16/444247416.db2.gz VGKTVXYEDINJNG-ZBFHGGJFSA-N 0 3 346.387 1.998 20 5 EDBDHN Cc1cnn([C@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000289970747 444225718 /nfs/dbraw/zinc/22/57/18/444225718.db2.gz RCISQWAEIGZHAE-HOTGVXAUSA-N 0 3 346.387 1.786 20 5 EDBDHN NCc1cn([C@@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000577750422 321680034 /nfs/dbraw/zinc/68/00/34/321680034.db2.gz DBOYSCUGYLBXJQ-GFCCVEGCSA-N 0 3 330.348 1.122 20 5 EDBDHN Cc1cccc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1[N+](=O)[O-] ZINC000579836782 321976819 /nfs/dbraw/zinc/97/68/19/321976819.db2.gz TVVRENXMIWNUOU-ZDUSSCGKSA-N 0 3 344.375 1.431 20 5 EDBDHN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580436850 322051060 /nfs/dbraw/zinc/05/10/60/322051060.db2.gz XDRIHNAKOZJXJA-TURKWSHLSA-N 0 3 336.323 1.403 20 5 EDBDHN CCC[C@@H](C)[C@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580649179 322078131 /nfs/dbraw/zinc/07/81/31/322078131.db2.gz OXDTUGSYRZBMOQ-DOMZBBRYSA-N 0 3 344.433 1.755 20 5 EDBDHN CC[C@H](NCCCS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000342262261 444597308 /nfs/dbraw/zinc/59/73/08/444597308.db2.gz CKQFWSFIAOTBIM-AWEZNQCLSA-N 0 3 329.422 1.917 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000341511927 444869415 /nfs/dbraw/zinc/86/94/15/444869415.db2.gz MRRSMQWRMMQOEF-OUAUKWLOSA-N 0 3 325.365 1.943 20 5 EDBDHN O=C([C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCCC1 ZINC000341610681 444919321 /nfs/dbraw/zinc/91/93/21/444919321.db2.gz UUEMSKIINKBUMI-AWEZNQCLSA-N 0 3 348.403 1.091 20 5 EDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330459844 444990499 /nfs/dbraw/zinc/99/04/99/444990499.db2.gz ZZRIGYMMEXTZNN-QWHCGFSZSA-N 0 3 337.424 1.763 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000345565201 445191123 /nfs/dbraw/zinc/19/11/23/445191123.db2.gz HHDGIRBIKYQPIA-CABCVRRESA-N 0 3 344.371 1.621 20 5 EDBDHN CN1CC=C(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000343250648 445161566 /nfs/dbraw/zinc/16/15/66/445161566.db2.gz GFPRRXYFKFLMTD-UHFFFAOYSA-N 0 3 347.371 1.287 20 5 EDBDHN COc1ccc(OCCN2CCC[C@@]3(CNC(=O)C3)C2)c([N+](=O)[O-])c1 ZINC000362409774 445366776 /nfs/dbraw/zinc/36/67/76/445366776.db2.gz IUWOYPCQXUVVQH-QGZVFWFLSA-N 0 3 349.387 1.584 20 5 EDBDHN C[C@H]1[C@H](N(C)CCO)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000356046188 445589183 /nfs/dbraw/zinc/58/91/83/445589183.db2.gz MKXWPVFHMITJBH-MEDUHNTESA-N 0 3 346.387 1.603 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349661365 445639226 /nfs/dbraw/zinc/63/92/26/445639226.db2.gz FSIVYVURUJXUNK-DOMZBBRYSA-N 0 3 341.433 1.298 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000353741724 445735162 /nfs/dbraw/zinc/73/51/62/445735162.db2.gz VAWXAUBILKLOJZ-ZDUSSCGKSA-N 0 3 338.360 1.805 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)CSC)cc1[N+](=O)[O-] ZINC000353757221 445741520 /nfs/dbraw/zinc/74/15/20/445741520.db2.gz HWBAFIZIJDPDFK-SNVBAGLBSA-N 0 3 328.390 1.988 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000353768206 445745794 /nfs/dbraw/zinc/74/57/94/445745794.db2.gz NMGAEENDKLITQY-STQMWFEESA-N 0 3 336.344 1.173 20 5 EDBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356455769 445799759 /nfs/dbraw/zinc/79/97/59/445799759.db2.gz KZJKIJGDNMRQBJ-UHFFFAOYSA-N 0 3 349.366 1.671 20 5 EDBDHN CC[C@@H](O)[C@H](CC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000582122512 325780076 /nfs/dbraw/zinc/78/00/76/325780076.db2.gz QNTOYQSEFFVVQV-UONOGXRCSA-N 0 3 330.406 1.508 20 5 EDBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)[C@H](C)OC)c([N+](=O)[O-])c1 ZINC000584035749 326186858 /nfs/dbraw/zinc/18/68/58/326186858.db2.gz MRRSMQWRMMQOEF-MXWKQRLJSA-N 0 3 325.365 1.943 20 5 EDBDHN CN1CCN(C[C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369309168 446063418 /nfs/dbraw/zinc/06/34/18/446063418.db2.gz FCFSPFOATRUXMM-OAHLLOKOSA-N 0 3 346.431 1.694 20 5 EDBDHN Cc1ccc(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000373269900 446135822 /nfs/dbraw/zinc/13/58/22/446135822.db2.gz XAPDSACPVNXHHA-KRWDZBQOSA-N 0 3 345.403 1.735 20 5 EDBDHN Cc1cccc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000374219934 446358578 /nfs/dbraw/zinc/35/85/78/446358578.db2.gz LSRNDEWJIQNDQB-OAHLLOKOSA-N 0 3 346.431 1.755 20 5 EDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CNCCO2)nc1OCc1ccccc1 ZINC000420283886 446450171 /nfs/dbraw/zinc/45/01/71/446450171.db2.gz ODDUUIFLOKZBAX-AWEZNQCLSA-N 0 3 344.371 1.969 20 5 EDBDHN COc1ccc(NC(=O)CN2CC[C@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375025771 446524337 /nfs/dbraw/zinc/52/43/37/446524337.db2.gz ZRENIFOFPPRGOK-MLGOLLRUSA-N 0 3 348.403 1.568 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000433155157 446539354 /nfs/dbraw/zinc/53/93/54/446539354.db2.gz CWMZKAWZHSVIEZ-GMXVVIOVSA-N 0 3 337.376 1.945 20 5 EDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCNC[C@@H]1C(F)F ZINC000367994967 446618208 /nfs/dbraw/zinc/61/82/08/446618208.db2.gz WXENSJVFQCICQZ-SNVBAGLBSA-N 0 3 325.275 1.150 20 5 EDBDHN CN(CC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000376644348 446625175 /nfs/dbraw/zinc/62/51/75/446625175.db2.gz QOQUIXLMOJZJAK-CZUORRHYSA-N 0 3 332.404 1.584 20 5 EDBDHN CN(C)CCN1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420588586 446692806 /nfs/dbraw/zinc/69/28/06/446692806.db2.gz RLYSMWBIGPCTFA-UHFFFAOYSA-N 0 3 335.408 1.132 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000454154431 446791668 /nfs/dbraw/zinc/79/16/68/446791668.db2.gz VSDUXYZHTXIQGI-AWEZNQCLSA-N 0 3 336.392 1.872 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412117418 446870388 /nfs/dbraw/zinc/87/03/88/446870388.db2.gz ZENNIBCAJDLHTK-VNQPRFMTSA-N 0 3 333.388 1.535 20 5 EDBDHN C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000419152930 446969648 /nfs/dbraw/zinc/96/96/48/446969648.db2.gz OVSSXBYCDWKGDS-HUBLWGQQSA-N 0 3 348.403 1.358 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000425058708 447006914 /nfs/dbraw/zinc/00/69/14/447006914.db2.gz PEGGLXCIJSDGEC-IINYFYTJSA-N 0 3 329.360 1.637 20 5 EDBDHN CC(C)(O)CN1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000368725145 447068032 /nfs/dbraw/zinc/06/80/32/447068032.db2.gz RQSBFMOUTXWESH-UHFFFAOYSA-N 0 3 338.364 1.786 20 5 EDBDHN C[C@@H]1C[C@H]1CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421395536 447149518 /nfs/dbraw/zinc/14/95/18/447149518.db2.gz YUBPCZRLXTXWDF-NEPJUHHUSA-N 0 3 327.406 1.461 20 5 EDBDHN CN(C[C@@H]1CCCN1C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421704735 447225317 /nfs/dbraw/zinc/22/53/17/447225317.db2.gz PPLBXPDLYZBHOR-HNNXBMFYSA-N 0 3 348.403 1.267 20 5 EDBDHN CNc1nc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000456025498 447287035 /nfs/dbraw/zinc/28/70/35/447287035.db2.gz VYFAYNXURUGCOB-NSHDSACASA-N 0 3 335.408 1.834 20 5 EDBDHN CCCN(CCN1CCN(CC)CC1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000450534003 447518562 /nfs/dbraw/zinc/51/85/62/447518562.db2.gz ZNWVNDLLXLYYCO-UHFFFAOYSA-N 0 3 336.440 1.547 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426941989 447519971 /nfs/dbraw/zinc/51/99/71/447519971.db2.gz GZZSWVQPVWATRR-ZDUSSCGKSA-N 0 3 337.376 1.444 20 5 EDBDHN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CCCN1CCCO ZINC000450598534 447534394 /nfs/dbraw/zinc/53/43/94/447534394.db2.gz RASCIFVXYYIKOS-CYBMUJFWSA-N 0 3 330.388 1.824 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN(CCCOC)CC2)n1 ZINC000427473442 447603182 /nfs/dbraw/zinc/60/31/82/447603182.db2.gz WPEKWEIJMGXSLM-UHFFFAOYSA-N 0 3 339.396 1.042 20 5 EDBDHN COC(=O)c1cnc(NCCCNCc2cccnc2)c([N+](=O)[O-])c1 ZINC000420183456 447659087 /nfs/dbraw/zinc/65/90/87/447659087.db2.gz MFKBGYCQLVPZRJ-UHFFFAOYSA-N 0 3 345.359 1.763 20 5 EDBDHN CN(C)CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000431406097 447801982 /nfs/dbraw/zinc/80/19/82/447801982.db2.gz YFURKGSYJVAPEF-UHFFFAOYSA-N 0 3 343.387 1.947 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1OC ZINC000575742686 447887230 /nfs/dbraw/zinc/88/72/30/447887230.db2.gz PWJHAUIVSINVPA-BVUBDWEXSA-N 0 3 340.376 1.117 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N(CCN1CCCC1)c1ccccc1 ZINC000523545081 447891658 /nfs/dbraw/zinc/89/16/58/447891658.db2.gz LCEKMDZDWMWJCM-UHFFFAOYSA-N 0 3 343.387 1.920 20 5 EDBDHN COc1ccc(CC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000530767264 447952739 /nfs/dbraw/zinc/95/27/39/447952739.db2.gz LTXZMILINYRVEB-YPMHNXCESA-N 0 3 333.388 1.887 20 5 EDBDHN CN(C)C(=O)[C@@H]1CC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000570862070 448078048 /nfs/dbraw/zinc/07/80/48/448078048.db2.gz GJYCTCQUGKPXGK-XFJVYGCCSA-N 0 3 333.388 1.808 20 5 EDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000532196865 448214754 /nfs/dbraw/zinc/21/47/54/448214754.db2.gz GONWLCQMUKWCTE-RYUDHWBXSA-N 0 3 340.405 1.095 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@@H]1C1(O)CC1 ZINC000572723883 448449311 /nfs/dbraw/zinc/44/93/11/448449311.db2.gz PLDBKPZTKHIRPC-CZUORRHYSA-N 0 3 336.388 1.714 20 5 EDBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000591768667 448487552 /nfs/dbraw/zinc/48/75/52/448487552.db2.gz RIJJMOWRRPEJIK-SMDDNHRTSA-N 0 3 333.344 1.786 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccnc(C(F)(F)F)c2)c1 ZINC000573200110 448566106 /nfs/dbraw/zinc/56/61/06/448566106.db2.gz XODLYQYMLMESLM-NSHDSACASA-N 0 3 345.281 1.356 20 5 EDBDHN C[C@@H](CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)S(C)(=O)=O ZINC000537945248 448575497 /nfs/dbraw/zinc/57/54/97/448575497.db2.gz GVVWVILSUVGQOZ-FZMZJTMJSA-N 0 3 326.418 1.939 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000591984893 448611013 /nfs/dbraw/zinc/61/10/13/448611013.db2.gz JRBDRMSOSDOQAV-NSHDSACASA-N 0 3 344.375 1.094 20 5 EDBDHN CCc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1[N+](=O)[O-] ZINC000592012889 448625857 /nfs/dbraw/zinc/62/58/57/448625857.db2.gz ODHPKJQWJJJSMH-UHFFFAOYSA-N 0 3 341.433 1.921 20 5 EDBDHN CCn1nc(C)c(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000578740348 448622722 /nfs/dbraw/zinc/62/27/22/448622722.db2.gz CSQUQECXZVSGKP-OAHLLOKOSA-N 0 3 348.403 1.958 20 5 EDBDHN C[C@@H](C(=O)NC[C@@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000518315175 448663917 /nfs/dbraw/zinc/66/39/17/448663917.db2.gz ZBISMLXHBWGVJP-CJNGLKHVSA-N 0 3 335.404 1.661 20 5 EDBDHN C[C@]1(CO)CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000545398710 448794397 /nfs/dbraw/zinc/79/43/97/448794397.db2.gz ZYKAMWVNVRHQDE-MRXNPFEDSA-N 0 3 335.360 1.740 20 5 EDBDHN CC[C@@H](C)C[C@@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592430653 448833097 /nfs/dbraw/zinc/83/30/97/448833097.db2.gz YNSARAVSRUECIF-OLZOCXBDSA-N 0 3 344.433 1.755 20 5 EDBDHN CS[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H]1N(C)C ZINC000588007931 448855861 /nfs/dbraw/zinc/85/58/61/448855861.db2.gz SONMNWBSSMMNQQ-CHWSQXEVSA-N 0 3 326.422 1.151 20 5 EDBDHN O=C(N[C@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000588867186 448943276 /nfs/dbraw/zinc/94/32/76/448943276.db2.gz LBVSPZJKYPNYPZ-JTQLQIEISA-N 0 3 327.768 1.435 20 5 EDBDHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588864044 448943622 /nfs/dbraw/zinc/94/36/22/448943622.db2.gz XVZOBXDDIYKVOA-CHWSQXEVSA-N 0 3 344.371 1.357 20 5 EDBDHN Cc1cc(C(=O)N2CC(CN3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000590399075 449147050 /nfs/dbraw/zinc/14/70/50/449147050.db2.gz FMGCKZOEJYRSCT-UHFFFAOYSA-N 0 3 332.404 1.223 20 5 EDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000590398792 449147622 /nfs/dbraw/zinc/14/76/22/449147622.db2.gz ALQYRPYICSMIEH-CVEARBPZSA-N 0 3 349.387 1.295 20 5 EDBDHN CCc1ccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593234528 449181378 /nfs/dbraw/zinc/18/13/78/449181378.db2.gz JNXNZVKCKAMBAZ-UHFFFAOYSA-N 0 3 348.403 1.003 20 5 EDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000590563889 449192147 /nfs/dbraw/zinc/19/21/47/449192147.db2.gz VLDIYXFJLZCTNH-HZPDHXFCSA-N 0 3 348.403 1.328 20 5 EDBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227423 449255016 /nfs/dbraw/zinc/25/50/16/449255016.db2.gz BJDSXNAFKYBQDU-ZDUSSCGKSA-N 0 3 335.408 1.774 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000602117066 449358165 /nfs/dbraw/zinc/35/81/65/449358165.db2.gz OBTWXCRWTVJNGY-BJJXKVORSA-N 0 3 333.388 1.944 20 5 EDBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN([C@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000611711120 449390298 /nfs/dbraw/zinc/39/02/98/449390298.db2.gz RTXKFPCDKVXKDO-HOTGVXAUSA-N 0 3 343.387 1.573 20 5 EDBDHN CC(C)(C(=O)N1CCNC2(CCCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000594629049 449599213 /nfs/dbraw/zinc/59/92/13/449599213.db2.gz ZEFNBALPGMABDQ-UHFFFAOYSA-N 0 3 335.408 1.661 20 5 EDBDHN COCCN1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602527826 449651628 /nfs/dbraw/zinc/65/16/28/449651628.db2.gz HKSJCCDDUGCHOS-UHFFFAOYSA-N 0 3 334.376 1.936 20 5 EDBDHN CN1CCN(CC2CN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000599109277 449742850 /nfs/dbraw/zinc/74/28/50/449742850.db2.gz RHQAUYKEIFBWAN-UHFFFAOYSA-N 0 3 341.415 1.827 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CCN(C)C)CC(=O)N(C)C ZINC000597203909 449868875 /nfs/dbraw/zinc/86/88/75/449868875.db2.gz ANLYSJBFMHONJT-RVDMUPIBSA-N 0 3 348.447 1.950 20 5 EDBDHN Cc1cc(S(=O)(=O)N[C@@H]2CNCC[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000595107979 449872740 /nfs/dbraw/zinc/87/27/40/449872740.db2.gz NUOZXABBUCMLQK-BXKDBHETSA-N 0 3 327.406 1.488 20 5 EDBDHN O=[N+]([O-])c1cccc(CCNS(=O)(=O)CCCN2CCCC2)c1 ZINC000601379702 449895349 /nfs/dbraw/zinc/89/53/49/449895349.db2.gz NCGJFMGTRIGGDQ-UHFFFAOYSA-N 0 3 341.433 1.543 20 5 EDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000602959775 449960313 /nfs/dbraw/zinc/96/03/13/449960313.db2.gz GPGFGKVRNISOAH-QWHCGFSZSA-N 0 3 333.392 1.811 20 5 EDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000602961051 449962659 /nfs/dbraw/zinc/96/26/59/449962659.db2.gz TVSGTADHBXCYSL-INIZCTEOSA-N 0 3 333.392 1.670 20 5 EDBDHN COc1cc(C(=O)NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000609383414 450020997 /nfs/dbraw/zinc/02/09/97/450020997.db2.gz ZQWHBMZTMCIAQF-LLVKDONJSA-N 0 3 337.376 1.684 20 5 EDBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610260151 450173054 /nfs/dbraw/zinc/17/30/54/450173054.db2.gz WSUYLZKVFWVPFF-UHFFFAOYSA-N 0 3 342.421 1.483 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000618924351 450342784 /nfs/dbraw/zinc/34/27/84/450342784.db2.gz YJQMHNNQMLALHI-OAHLLOKOSA-N 0 3 325.340 1.263 20 5 EDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000610896767 450371283 /nfs/dbraw/zinc/37/12/83/450371283.db2.gz AKFJPVBWBGSNSA-YPMHNXCESA-N 0 3 347.371 1.880 20 5 EDBDHN CC(=O)N1CCC[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619432677 450472341 /nfs/dbraw/zinc/47/23/41/450472341.db2.gz CAICPPPEXHURGH-ZDUSSCGKSA-N 0 3 349.387 1.714 20 5 EDBDHN O=C(NCCN1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000078632836 491003556 /nfs/dbraw/zinc/00/35/56/491003556.db2.gz BHUYLEXQXUDHHV-UHFFFAOYSA-N 0 3 329.360 1.606 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000190033804 534367221 /nfs/dbraw/zinc/36/72/21/534367221.db2.gz VNXOHRCTWGRXGS-HNNXBMFYSA-N 0 3 346.387 1.620 20 5 EDBDHN CCN1CCC[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332447639 535575391 /nfs/dbraw/zinc/57/53/91/535575391.db2.gz DPGMAPZYHZKJSQ-ZDUSSCGKSA-N 0 3 349.387 1.509 20 5 EDBDHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237048115 535846455 /nfs/dbraw/zinc/84/64/55/535846455.db2.gz HZPZGRAMMSPPBM-SWLSCSKDSA-N 0 3 348.403 1.253 20 5 EDBDHN CN(C)CCN1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347425500 535873545 /nfs/dbraw/zinc/87/35/45/535873545.db2.gz JZKAMVIDACZEIL-UHFFFAOYSA-N 0 3 344.419 1.976 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@@H](CN(C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000733165194 578745439 /nfs/dbraw/zinc/74/54/39/578745439.db2.gz IGCGRKNMSSPFCW-AWEZNQCLSA-N 0 3 337.376 1.697 20 5 EDBDHN CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736859252 579027780 /nfs/dbraw/zinc/02/77/80/579027780.db2.gz YACXTRHKXZASLL-LLVKDONJSA-N 0 3 331.380 1.553 20 5 EDBDHN CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736859252 579027781 /nfs/dbraw/zinc/02/77/81/579027781.db2.gz YACXTRHKXZASLL-LLVKDONJSA-N 0 3 331.380 1.553 20 5 EDBDHN CCN1CCN(CCNC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752356343 579846719 /nfs/dbraw/zinc/84/67/19/579846719.db2.gz UXUMKVJDNWYJPF-CCEZHUSRSA-N 0 3 346.431 1.752 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000758332479 579980114 /nfs/dbraw/zinc/98/01/14/579980114.db2.gz CAKCSXOBXDMCPM-RISCZKNCSA-N 0 3 347.371 1.385 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000776277420 580413719 /nfs/dbraw/zinc/41/37/19/580413719.db2.gz PCFGDYWPQGQMBX-GOEBONIOSA-N 0 3 343.387 1.677 20 5 EDBDHN Cn1cc(CN2C[C@@H]3C[C@]3(CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000783742486 580605090 /nfs/dbraw/zinc/60/50/90/580605090.db2.gz ONKVAPREYHDLHJ-WMLDXEAASA-N 0 3 328.372 1.810 20 5 EDBDHN O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCN1C1CCCC1 ZINC000786884685 580682849 /nfs/dbraw/zinc/68/28/49/580682849.db2.gz XOPMCYNNCNWFJF-OAHLLOKOSA-N 0 3 349.387 1.707 20 5 EDBDHN CN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H]1CCN(C2CC2)C1 ZINC000794629567 580900602 /nfs/dbraw/zinc/90/06/02/580900602.db2.gz XCAYVKMNCVNDHI-LBPRGKRZSA-N 0 3 332.360 1.629 20 5 EDBDHN O=C(CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NCC(F)F ZINC000795846372 580939081 /nfs/dbraw/zinc/93/90/81/580939081.db2.gz WIGDADUKUYIYKY-UHFFFAOYSA-N 0 3 342.346 1.535 20 5 EDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000893045970 590633486 /nfs/dbraw/zinc/63/34/86/590633486.db2.gz BWIXQRCPALFGOP-IUODEOHRSA-N 0 3 337.399 1.591 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000893157707 590687612 /nfs/dbraw/zinc/68/76/12/590687612.db2.gz AAWCAKVFRYUHHX-UHFFFAOYSA-N 0 3 336.440 1.182 20 5 EDBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1c([N+](=O)[O-])cnn1C ZINC000893283882 590753704 /nfs/dbraw/zinc/75/37/04/590753704.db2.gz APFXJVKLARNPMR-KRWDZBQOSA-N 0 3 345.403 1.402 20 5 EDBDHN C[C@@H]1CCCN1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000891612061 591149792 /nfs/dbraw/zinc/14/97/92/591149792.db2.gz JMDSCNYLXABINQ-CYBMUJFWSA-N 0 3 335.408 1.790 20 5 EDBDHN COc1cc(N2CC[C@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])cc1C ZINC000897218482 591773538 /nfs/dbraw/zinc/77/35/38/591773538.db2.gz DFZUVDOSCOEWCZ-KBPBESRZSA-N 0 3 335.404 1.947 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3[C@@H]2CCCN3CCO)s1 ZINC000897220562 591774563 /nfs/dbraw/zinc/77/45/63/591774563.db2.gz XNQUBUDSFDOGCX-RYUDHWBXSA-N 0 3 349.416 1.635 20 5 EDBDHN CCN1CCC(NC(=O)COc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000902234959 591952213 /nfs/dbraw/zinc/95/22/13/591952213.db2.gz QSCBOBBLVPLUIT-UHFFFAOYSA-N 0 3 325.340 1.713 20 5 EDBDHN COCC[C@@H]1CNCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000900436721 592017418 /nfs/dbraw/zinc/01/74/18/592017418.db2.gz OKNIQOUUFFBFKE-SECBINFHSA-N 0 3 345.197 1.567 20 5 EDBDHN COC[C@@H]1CNCCN1c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000900449943 592020856 /nfs/dbraw/zinc/02/08/56/592020856.db2.gz KBUVNQXKDFPXPH-ZDUSSCGKSA-N 0 3 336.392 1.158 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906676647 592258367 /nfs/dbraw/zinc/25/83/67/592258367.db2.gz ODLFUZDXZJQJHW-LLVKDONJSA-N 0 3 335.360 1.580 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901186133 592268730 /nfs/dbraw/zinc/26/87/30/592268730.db2.gz KRLRGHJEDQXEIA-CYBMUJFWSA-N 0 3 333.747 1.430 20 5 EDBDHN COc1cc(CCNC[C@@](C)(O)C(F)F)c([N+](=O)[O-])cc1OC ZINC000905890994 592669356 /nfs/dbraw/zinc/66/93/56/592669356.db2.gz DROLOWPPTVWYRW-CQSZACIVSA-N 0 3 334.319 1.760 20 5 EDBDHN Cc1nc(CN2CCC(C(=O)OCC(C)[N+](=O)[O-])CC2)cs1 ZINC000813102319 593517598 /nfs/dbraw/zinc/51/75/98/593517598.db2.gz PQVIFYNULBHRRA-JTQLQIEISA-N 0 3 327.406 1.872 20 5 EDBDHN CC(COC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)[N+](=O)[O-] ZINC000813107226 593518002 /nfs/dbraw/zinc/51/80/02/593518002.db2.gz MXIHPJPFOACLIM-RISCZKNCSA-N 0 3 326.324 1.407 20 5 EDBDHN CC(C)NS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109706 593518464 /nfs/dbraw/zinc/51/84/64/593518464.db2.gz OACMQJPIQZXUCF-JTQLQIEISA-N 0 3 330.362 1.195 20 5 EDBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000813760677 593554013 /nfs/dbraw/zinc/55/40/13/593554013.db2.gz ZKPCORMCJPTCNL-GFCCVEGCSA-N 0 3 331.419 1.373 20 5 EDBDHN C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000820656573 593855175 /nfs/dbraw/zinc/85/51/75/593855175.db2.gz GPAKISBBVPGWHO-GHMZBOCLSA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000820656573 593855176 /nfs/dbraw/zinc/85/51/76/593855176.db2.gz GPAKISBBVPGWHO-GHMZBOCLSA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000820656573 593855177 /nfs/dbraw/zinc/85/51/77/593855177.db2.gz GPAKISBBVPGWHO-GHMZBOCLSA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000820656573 593855178 /nfs/dbraw/zinc/85/51/78/593855178.db2.gz GPAKISBBVPGWHO-GHMZBOCLSA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828041076 594328668 /nfs/dbraw/zinc/32/86/68/594328668.db2.gz OPCPRSKBNPZSTQ-BLLLJJGKSA-N 0 3 335.404 1.817 20 5 EDBDHN CS[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000826227710 594388138 /nfs/dbraw/zinc/38/81/38/594388138.db2.gz WKWYTYSNKIADIQ-QWHCGFSZSA-N 0 3 349.420 1.257 20 5 EDBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(OCCO)CCOC2)cc1Cl ZINC000826940293 594606509 /nfs/dbraw/zinc/60/65/09/594606509.db2.gz CCFXRXGLPRPYOW-AWEZNQCLSA-N 0 3 330.768 1.506 20 5 EDBDHN CC(COC(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1)[N+](=O)[O-] ZINC000835456977 594829955 /nfs/dbraw/zinc/82/99/55/594829955.db2.gz VHNSKIYVOHDBFR-WCQYABFASA-N 0 3 330.344 1.716 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000837239537 595064405 /nfs/dbraw/zinc/06/44/05/595064405.db2.gz USYYVMXMKXOKSR-AWEZNQCLSA-N 0 3 334.376 1.544 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C)cc1F ZINC000867296975 595107191 /nfs/dbraw/zinc/10/71/91/595107191.db2.gz YLRBMTKGQCZZNQ-VIFPVBQESA-N 0 3 333.385 1.518 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)OCCN(C)Cc1ccccc1 ZINC000837475613 595120240 /nfs/dbraw/zinc/12/02/40/595120240.db2.gz IQNKKMLEMCKSCR-UHFFFAOYSA-N 0 3 332.360 1.775 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000834563221 595162916 /nfs/dbraw/zinc/16/29/16/595162916.db2.gz BETISLLQEYPVAY-BJRSVTDJSA-N 0 3 347.415 1.913 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000843791206 595187234 /nfs/dbraw/zinc/18/72/34/595187234.db2.gz PJORPMUDJFVFDE-UHFFFAOYSA-N 0 3 329.784 1.898 20 5 EDBDHN COCCCN(C)CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843804432 595190604 /nfs/dbraw/zinc/19/06/04/595190604.db2.gz GAWKSDFLXGGTRW-UHFFFAOYSA-N 0 3 327.356 1.740 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000843106125 595288267 /nfs/dbraw/zinc/28/82/67/595288267.db2.gz HPRCQFDKQCIDCN-CGTJXYLNSA-N 0 3 346.383 1.702 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CONC(=N)COC(C)C)c1 ZINC000844763462 595392215 /nfs/dbraw/zinc/39/22/15/595392215.db2.gz MMQQSJZKCGIBNG-UHFFFAOYSA-N 0 3 325.321 1.805 20 5 EDBDHN CN(C[C@H]1CCCN1C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853518110 595779985 /nfs/dbraw/zinc/77/99/85/595779985.db2.gz KVBGVHPOLFQNNT-CYBMUJFWSA-N 0 3 330.392 1.837 20 5 EDBDHN CC[C@H](NC[C@@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1 ZINC000866555817 596250206 /nfs/dbraw/zinc/25/02/06/596250206.db2.gz OLMSMQOYWWABFT-RDJZCZTQSA-N 0 3 349.387 1.263 20 5 EDBDHN CN(CCN1CCCCC1)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870950664 596415957 /nfs/dbraw/zinc/41/59/57/596415957.db2.gz LODGYOFIOAUDMU-QGZVFWFLSA-N 0 3 334.420 1.713 20 5 EDBDHN O=[N+]([O-])c1ccc2nccc(NC[C@H]3CN4CCC[C@H]4CO3)c2c1 ZINC000865484764 596588176 /nfs/dbraw/zinc/58/81/76/596588176.db2.gz ISILLXAVMVEBGI-KBPBESRZSA-N 0 3 328.372 1.840 20 5 EDBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1Cc2ccccc2CN1 ZINC000877344010 597496811 /nfs/dbraw/zinc/49/68/11/597496811.db2.gz CGAFQJSRMIHJNF-OAHLLOKOSA-N 0 3 340.383 1.837 20 5 EDBDHN CN1C(=O)c2ccccc2[C@H]1CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877656946 597545638 /nfs/dbraw/zinc/54/56/38/597545638.db2.gz UDZAESIBWVRACX-ZEPSKSRBSA-N 0 3 341.371 1.911 20 5 EDBDHN CC1(N2CCC2)CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000882768819 598050854 /nfs/dbraw/zinc/05/08/54/598050854.db2.gz UGOQHOXZUZOYCC-UHFFFAOYSA-N 0 3 340.405 1.239 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000997538589 703795731 /nfs/dbraw/zinc/79/57/31/703795731.db2.gz UEMQAELCYUDYEP-UHFFFAOYSA-N 0 3 346.391 1.298 20 5 EDBDHN O=C(Cc1nnc[nH]1)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001003930116 710983074 /nfs/dbraw/zinc/98/30/74/710983074.db2.gz IZLSWCDKONUHHU-UHFFFAOYSA-N 0 3 344.375 1.036 20 5 EDBDHN CCc1[nH]nc(C(=O)N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000178011628 529466184 /nfs/dbraw/zinc/46/61/84/529466184.db2.gz YYSCLMIITFASBO-UHFFFAOYSA-N 0 3 335.408 1.971 20 5 EDBDHN C[NH+](C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000175080738 231380526 /nfs/dbraw/zinc/38/05/26/231380526.db2.gz ONLRRURAQNMLJM-NEPJUHHUSA-N 0 3 327.406 1.746 20 5 EDBDHN NC(=O)[C@@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000183911706 235259345 /nfs/dbraw/zinc/25/93/45/235259345.db2.gz XOVHIYJZOFPMRM-ZIAGYGMSSA-N 0 3 335.360 1.595 20 5 EDBDHN COC(=O)c1cc(N2CCCN(CCO)CC2)cc(C)c1[N+](=O)[O-] ZINC000130580434 138342407 /nfs/dbraw/zinc/34/24/07/138342407.db2.gz XWDNWVAUTINPHG-UHFFFAOYSA-N 0 3 337.376 1.194 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2COc3ccccc3C2)c1 ZINC000564845669 306366861 /nfs/dbraw/zinc/36/68/61/306366861.db2.gz VVTGMVGLGRVIRA-HOCLYGCPSA-N 0 3 344.367 1.928 20 5 EDBDHN CC(C)NC(=O)[C@@H](C)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414348058 304109433 /nfs/dbraw/zinc/10/94/33/304109433.db2.gz RSIKYKJZSRNIPM-NWDGAFQWSA-N 0 3 336.392 1.815 20 5 EDBDHN CSCC[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000199160475 139020347 /nfs/dbraw/zinc/02/03/47/139020347.db2.gz CZDAVCOJNFBMKS-CQSZACIVSA-N 0 3 338.433 1.324 20 5 EDBDHN COCCNCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000216315142 139020498 /nfs/dbraw/zinc/02/04/98/139020498.db2.gz JPPXVRGAZWBTMM-UHFFFAOYSA-N 0 3 346.181 1.323 20 5 EDBDHN CCC[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000236821798 139032628 /nfs/dbraw/zinc/03/26/28/139032628.db2.gz SAGYUOOIRSGVRK-JTQLQIEISA-N 0 3 340.405 1.068 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)CN1 ZINC000237580235 139054664 /nfs/dbraw/zinc/05/46/64/139054664.db2.gz QPRPINWSTXGZCC-RYUDHWBXSA-N 0 3 329.360 1.603 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246394932 139106965 /nfs/dbraw/zinc/10/69/65/139106965.db2.gz PNOXYAHLCINRAZ-STQMWFEESA-N 0 3 348.403 1.710 20 5 EDBDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248426697 139163183 /nfs/dbraw/zinc/16/31/83/139163183.db2.gz LTTHGQWIXFMZFD-GXTWGEPZSA-N 0 3 341.433 1.697 20 5 EDBDHN CC[C@](C)(NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC000411384780 250521140 /nfs/dbraw/zinc/52/11/40/250521140.db2.gz GAMVHCAGWYWYJK-HNNXBMFYSA-N 0 3 338.364 1.176 20 5 EDBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1csc([N+](=O)[O-])c1 ZINC000261915628 139236537 /nfs/dbraw/zinc/23/65/37/139236537.db2.gz QVEIFOVKBOIGLY-UHFFFAOYSA-N 0 3 333.373 1.713 20 5 EDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)CNCCO2 ZINC000415968905 251040085 /nfs/dbraw/zinc/04/00/85/251040085.db2.gz FXUPIBADCNPHIT-UHFFFAOYSA-N 0 3 346.347 1.095 20 5 EDBDHN C[C@@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262793726 139303957 /nfs/dbraw/zinc/30/39/57/139303957.db2.gz SKVXSWPCRASILS-KCJUWKMLSA-N 0 3 333.797 1.525 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000153397493 224098212 /nfs/dbraw/zinc/09/82/12/224098212.db2.gz VAWPRZOYGRGCAY-CQSZACIVSA-N 0 3 327.406 1.116 20 5 EDBDHN C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000490339884 255085066 /nfs/dbraw/zinc/08/50/66/255085066.db2.gz DAPHAFAFBILGSN-OLZOCXBDSA-N 0 3 338.412 1.353 20 5 EDBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@@]1(O)CN2CCC1CC2 ZINC000493146074 255193133 /nfs/dbraw/zinc/19/31/33/255193133.db2.gz GSBJYECBTJBMSH-POKLJVKSSA-N 0 3 349.362 1.320 20 5 EDBDHN CN1CCN(CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000493233735 255198281 /nfs/dbraw/zinc/19/82/81/255198281.db2.gz OFCATVGDEKUULC-HJWRWDBZSA-N 0 3 346.431 1.750 20 5 EDBDHN CC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000571284468 306561136 /nfs/dbraw/zinc/56/11/36/306561136.db2.gz XSTKWDHPVIQCKL-OUJBWJOFSA-N 0 3 334.319 1.329 20 5 EDBDHN CCN1CC[C@H]2OCCN(CCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339387146 142033882 /nfs/dbraw/zinc/03/38/82/142033882.db2.gz FRJSWPGTWPWQOG-IAGOWNOFSA-N 0 3 335.404 1.769 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345013294 143039310 /nfs/dbraw/zinc/03/93/10/143039310.db2.gz QRPXBLMHNNWHFM-HUBLWGQQSA-N 0 3 348.403 1.312 20 5 EDBDHN CN1CCC(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000346196565 143177774 /nfs/dbraw/zinc/17/77/74/143177774.db2.gz RBIXJNDGQIMBOJ-ZDUSSCGKSA-N 0 3 333.392 1.344 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355386474 150247127 /nfs/dbraw/zinc/24/71/27/150247127.db2.gz RDYPOMZPZIISTM-CVEARBPZSA-N 0 3 333.388 1.459 20 5 EDBDHN COc1cc(OCC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000357384614 151014366 /nfs/dbraw/zinc/01/43/66/151014366.db2.gz FLPZGFYDWYYIJC-NWDGAFQWSA-N 0 3 337.376 1.581 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1Cc1nc(CC2=N[C@@H]3CCCC[C@@H]3N2)no1 ZINC000357956556 151209632 /nfs/dbraw/zinc/20/96/32/151209632.db2.gz ZBFZBUZGCVPQTD-PHIMTYICSA-N 0 3 345.363 1.386 20 5 EDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358061755 151252534 /nfs/dbraw/zinc/25/25/34/151252534.db2.gz HCQYRFXRGCARDX-XHDPSFHLSA-N 0 3 339.417 1.258 20 5 EDBDHN CSc1cccc(C(=O)NC[C@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000362409891 152700709 /nfs/dbraw/zinc/70/07/09/152700709.db2.gz HLGHXTVKPIKBIW-CQSZACIVSA-N 0 3 325.390 1.113 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)c1C ZINC000192921238 292292007 /nfs/dbraw/zinc/29/20/07/292292007.db2.gz ZRVYTAOVAJZHDC-BETUJISGSA-N 0 3 339.417 1.394 20 5 EDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000375923169 157691757 /nfs/dbraw/zinc/69/17/57/157691757.db2.gz SFXOOVCLPGWYLT-ZBFHGGJFSA-N 0 3 344.346 1.883 20 5 EDBDHN O=C([C@@H]1CC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2)N1CCCC1 ZINC000378384163 158160028 /nfs/dbraw/zinc/16/00/28/158160028.db2.gz UPIGPPUSIYTVIE-AWEZNQCLSA-N 0 3 347.419 1.516 20 5 EDBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000352551554 162246650 /nfs/dbraw/zinc/24/66/50/162246650.db2.gz OIMCMUYFEWKOHR-LBPRGKRZSA-N 0 3 329.422 1.994 20 5 EDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000366570909 162396145 /nfs/dbraw/zinc/39/61/45/162396145.db2.gz PYXDSMVKNBGJPX-RYUDHWBXSA-N 0 3 336.367 1.625 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C[C@H]1CC=CCC1 ZINC000123264992 222245319 /nfs/dbraw/zinc/24/53/19/222245319.db2.gz WEMMZZXGZWDJGG-ZDUSSCGKSA-N 0 3 339.417 1.819 20 5 EDBDHN CS(=O)(=O)N1CC(CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000189683991 272967511 /nfs/dbraw/zinc/96/75/11/272967511.db2.gz FVJYSUAAIKILSN-UHFFFAOYSA-N 0 3 333.797 1.229 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCOC[C@@H]1C ZINC000277945260 273236768 /nfs/dbraw/zinc/23/67/68/273236768.db2.gz RFWDVARHRVPFBS-GVXVVHGQSA-N 0 3 337.376 1.945 20 5 EDBDHN CN(C)CC1(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCC1 ZINC000281039256 273428621 /nfs/dbraw/zinc/42/86/21/273428621.db2.gz IUWGPDGYMMRQIN-HNNXBMFYSA-N 0 3 346.387 1.688 20 5 EDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)C(=O)N1CCCC1 ZINC000343499142 274472196 /nfs/dbraw/zinc/47/21/96/274472196.db2.gz HKJVBJGMJGCFHX-CHWSQXEVSA-N 0 3 348.403 1.912 20 5 EDBDHN C[C@H](N[C@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000248388968 274525539 /nfs/dbraw/zinc/52/55/39/274525539.db2.gz AGMBKNXXVSUMJP-GDLCADMTSA-N 0 3 334.376 1.556 20 5 EDBDHN COCCN1CCC(NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269379638 277219484 /nfs/dbraw/zinc/21/94/84/277219484.db2.gz JCHQJUWGTIYBHU-UHFFFAOYSA-N 0 3 339.396 1.282 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000291669636 289144540 /nfs/dbraw/zinc/14/45/40/289144540.db2.gz CKKKKJSKLFJXRG-HIFRSBDPSA-N 0 3 343.387 1.571 20 5 EDBDHN COc1ccc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000340873954 295197676 /nfs/dbraw/zinc/19/76/76/295197676.db2.gz CRSABGQIFKCFNY-GWCFXTLKSA-N 0 3 343.405 1.174 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](N)Cc2ccccc21 ZINC000261696447 302046776 /nfs/dbraw/zinc/04/67/76/302046776.db2.gz OGNZDLRTMNMDJQ-CYBMUJFWSA-N 0 3 347.396 1.982 20 5 EDBDHN CCN(CCO)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296832805 303340153 /nfs/dbraw/zinc/34/01/53/303340153.db2.gz SVIWMWZXQCWMRV-UHFFFAOYSA-N 0 3 328.344 1.478 20 5 EDBDHN Cc1nn(C)c(N2CC[C@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301744425 303692834 /nfs/dbraw/zinc/69/28/34/303692834.db2.gz NEAQUSATOLWIMG-AWEZNQCLSA-N 0 3 337.424 1.718 20 5 EDBDHN CC1(C)CCCN[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411737 304894774 /nfs/dbraw/zinc/89/47/74/304894774.db2.gz GFZMXERCTLWOIE-IUODEOHRSA-N 0 3 347.419 1.781 20 5 EDBDHN CCN1CCC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000445267695 305258753 /nfs/dbraw/zinc/25/87/53/305258753.db2.gz YEMFRURVGCZKOR-LLVKDONJSA-N 0 3 346.391 1.755 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2CCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000449525623 305312832 /nfs/dbraw/zinc/31/28/32/305312832.db2.gz WMKLSWYSAPCFKR-TZMCWYRMSA-N 0 3 338.360 1.804 20 5 EDBDHN Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451631431 305357655 /nfs/dbraw/zinc/35/76/55/305357655.db2.gz NPVQPVKQIJSXSK-HEHGZKQESA-N 0 3 332.404 1.866 20 5 EDBDHN COC(=O)[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000452007866 305377872 /nfs/dbraw/zinc/37/78/72/305377872.db2.gz RMXCIUKEVOKFEJ-HOTGVXAUSA-N 0 3 344.371 1.680 20 5 EDBDHN Cc1nn(CCC(=O)N2CCN(C3CC3)C[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000452173188 305385663 /nfs/dbraw/zinc/38/56/63/305385663.db2.gz MCMWBYSIRLOFEV-GFCCVEGCSA-N 0 3 349.435 1.741 20 5 EDBDHN CC(C)(C(=O)N[C@H]1CCCN(CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000452386889 305396835 /nfs/dbraw/zinc/39/68/35/305396835.db2.gz YGHHQXOGNDJVPN-AWEZNQCLSA-N 0 3 349.431 1.835 20 5 EDBDHN CNc1nc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456046484 305450706 /nfs/dbraw/zinc/45/07/06/305450706.db2.gz GEPWNZDOXUNZTR-RYUDHWBXSA-N 0 3 333.392 1.730 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCCOc2ccc(F)cc2F)c1 ZINC000519536166 305769640 /nfs/dbraw/zinc/76/96/40/305769640.db2.gz CHTRJWRVBCERQY-GFCCVEGCSA-N 0 3 342.302 1.099 20 5 EDBDHN CN(C)CCOCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000538649873 306031333 /nfs/dbraw/zinc/03/13/33/306031333.db2.gz LVGWQFDXDGIANC-UHFFFAOYSA-N 0 3 336.392 1.477 20 5 EDBDHN C[C@@H](C(=O)NCCOCCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000542635817 306055468 /nfs/dbraw/zinc/05/54/68/306055468.db2.gz ALSWLDHWWXLUHF-LLVKDONJSA-N 0 3 327.356 1.532 20 5 EDBDHN C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(C)C1CC1 ZINC000057709471 441129453 /nfs/dbraw/zinc/12/94/53/441129453.db2.gz OKHSEGBYHAATQI-LBPRGKRZSA-N 0 3 343.387 1.993 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000104748721 441203563 /nfs/dbraw/zinc/20/35/63/441203563.db2.gz NWPQXLMZRSXYIE-LBPRGKRZSA-N 0 3 327.406 1.475 20 5 EDBDHN CN1CCC(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000048773668 441331509 /nfs/dbraw/zinc/33/15/09/441331509.db2.gz URYGDNZMQSLDTC-UHFFFAOYSA-N 0 3 340.767 1.397 20 5 EDBDHN CCS(=O)(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000074337483 441423078 /nfs/dbraw/zinc/42/30/78/441423078.db2.gz RSFPJZHVANPKOY-UHFFFAOYSA-N 0 3 327.406 1.499 20 5 EDBDHN CN1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000108406513 441452317 /nfs/dbraw/zinc/45/23/17/441452317.db2.gz LKEKNJJWDJINTB-SNVBAGLBSA-N 0 3 347.824 1.868 20 5 EDBDHN C[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000108406513 441452320 /nfs/dbraw/zinc/45/23/20/441452320.db2.gz LKEKNJJWDJINTB-SNVBAGLBSA-N 0 3 347.824 1.868 20 5 EDBDHN C[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000108406513 441452324 /nfs/dbraw/zinc/45/23/24/441452324.db2.gz LKEKNJJWDJINTB-SNVBAGLBSA-N 0 3 347.824 1.868 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(CCc2cccc(F)c2)C2CC2)c1 ZINC000075743833 441553713 /nfs/dbraw/zinc/55/37/13/441553713.db2.gz ZNVOXQOVCQTIFX-KRWDZBQOSA-N 0 3 348.378 1.998 20 5 EDBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112918349 441568538 /nfs/dbraw/zinc/56/85/38/441568538.db2.gz BGFGPTDQZPJBQL-UHFFFAOYSA-N 0 3 340.811 1.616 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCC1CCN(c2ccncc2)CC1 ZINC000090145258 441622554 /nfs/dbraw/zinc/62/25/54/441622554.db2.gz OHFODUZZJGLDCH-UHFFFAOYSA-N 0 3 344.375 1.219 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000055245952 441633667 /nfs/dbraw/zinc/63/36/67/441633667.db2.gz HFJZIQGXOBZWIH-UHFFFAOYSA-N 0 3 339.417 1.844 20 5 EDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000092687693 441821860 /nfs/dbraw/zinc/82/18/60/441821860.db2.gz CXZYHNMUXJTTQI-HNNXBMFYSA-N 0 3 333.436 1.905 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173711742 441828598 /nfs/dbraw/zinc/82/85/98/441828598.db2.gz WFXOKZVCPPLPPX-CQSZACIVSA-N 0 3 334.420 1.280 20 5 EDBDHN Cn1cc(C[C@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cn1 ZINC000159865757 441843584 /nfs/dbraw/zinc/84/35/84/441843584.db2.gz WQXQJBWOYNAFJQ-CYBMUJFWSA-N 0 3 331.376 1.055 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000160492670 441888419 /nfs/dbraw/zinc/88/84/19/441888419.db2.gz FNRUTWYIBKOUQN-CQSZACIVSA-N 0 3 343.387 1.895 20 5 EDBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000093583156 441890752 /nfs/dbraw/zinc/89/07/52/441890752.db2.gz UIFMXCGZXBDMIS-NBUZRDOWSA-N 0 3 335.404 1.233 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000146624440 441898990 /nfs/dbraw/zinc/89/89/90/441898990.db2.gz NUCWXNXQIPRZRY-GFCCVEGCSA-N 0 3 325.390 1.454 20 5 EDBDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174859627 441976035 /nfs/dbraw/zinc/97/60/35/441976035.db2.gz QEZZHCIALAEAQO-ZDUSSCGKSA-N 0 3 337.424 1.666 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000125208331 441997058 /nfs/dbraw/zinc/99/70/58/441997058.db2.gz CBICKYFXIOKMIU-VXGBXAGGSA-N 0 3 327.406 1.760 20 5 EDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C[C@@H]1CN ZINC000162334067 442084369 /nfs/dbraw/zinc/08/43/69/442084369.db2.gz TUHCSEUPWYOBTC-AAEUAGOBSA-N 0 3 338.433 1.177 20 5 EDBDHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000120757046 442127315 /nfs/dbraw/zinc/12/73/15/442127315.db2.gz YUFFPRZDFMWREZ-AAEUAGOBSA-N 0 3 334.376 1.474 20 5 EDBDHN O=C(CN1CC[C@@H](N2CCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000170744428 442256461 /nfs/dbraw/zinc/25/64/61/442256461.db2.gz YZQDWTREXWABJJ-MRXNPFEDSA-N 0 3 344.415 1.654 20 5 EDBDHN CN(C(=O)CN1CCCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000172541176 442485010 /nfs/dbraw/zinc/48/50/10/442485010.db2.gz BBWZBIPNSNSSPX-UHFFFAOYSA-N 0 3 332.404 1.728 20 5 EDBDHN Cc1ccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000157625263 442599198 /nfs/dbraw/zinc/59/91/98/442599198.db2.gz SDSUDKFDZGGDCU-ZDUSSCGKSA-N 0 3 349.435 1.908 20 5 EDBDHN CN1CCN(C(=O)CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192821313 442689809 /nfs/dbraw/zinc/68/98/09/442689809.db2.gz PXHFBPGCLRBHNW-QGZVFWFLSA-N 0 3 346.431 1.726 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC2=CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000193389054 442738404 /nfs/dbraw/zinc/73/84/04/442738404.db2.gz CUNVWFTYSWCAFN-UHFFFAOYSA-N 0 3 325.390 1.410 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000182500808 442777385 /nfs/dbraw/zinc/77/73/85/442777385.db2.gz RNVVDWSQURZXHP-UHFFFAOYSA-N 0 3 349.435 1.374 20 5 EDBDHN COC(=O)CC1(NCc2ccc(OC)c([N+](=O)[O-])c2)CCOCC1 ZINC000268049684 442829612 /nfs/dbraw/zinc/82/96/12/442829612.db2.gz RSTVLEABKUVXAT-UHFFFAOYSA-N 0 3 338.360 1.805 20 5 EDBDHN COc1cc(CNC[C@](C)(O)CSC)c([N+](=O)[O-])cc1OC ZINC000265684364 442879017 /nfs/dbraw/zinc/87/90/17/442879017.db2.gz KHTAAIJVERMTFJ-AWEZNQCLSA-N 0 3 330.406 1.816 20 5 EDBDHN COc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000268176144 442884471 /nfs/dbraw/zinc/88/44/71/442884471.db2.gz KSBFJEMDSJFBJU-ZWNOBZJWSA-N 0 3 349.387 1.825 20 5 EDBDHN Cc1nn(CCC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000268191144 442891713 /nfs/dbraw/zinc/89/17/13/442891713.db2.gz HSCLEPPPVSXKQM-QMTHXVAHSA-N 0 3 335.408 1.397 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000268262691 442923566 /nfs/dbraw/zinc/92/35/66/442923566.db2.gz ZPWKZCSUDIKRPO-BMIGLBTASA-N 0 3 347.371 1.594 20 5 EDBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000183456338 442933314 /nfs/dbraw/zinc/93/33/14/442933314.db2.gz MPGXIOWXQLRVLV-IINYFYTJSA-N 0 3 337.376 1.945 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C ZINC000268307744 442941020 /nfs/dbraw/zinc/94/10/20/442941020.db2.gz YLBCOQAZLKFQTD-CABZTGNLSA-N 0 3 347.824 1.819 20 5 EDBDHN C[C@H]1CN(CC(C)(C)O)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189432721 442951745 /nfs/dbraw/zinc/95/17/45/442951745.db2.gz ZIMWFXFLXJRMBR-AWEZNQCLSA-N 0 3 337.420 1.751 20 5 EDBDHN COC(=O)C1=NOC2(C1)CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000185095404 443135801 /nfs/dbraw/zinc/13/58/01/443135801.db2.gz PWQNJHNXTVMBKI-UHFFFAOYSA-N 0 3 347.371 1.921 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C[NH3+] ZINC000237666582 443178899 /nfs/dbraw/zinc/17/88/99/443178899.db2.gz JLBSMBMSHFTDLE-NEPJUHHUSA-N 0 3 327.406 1.699 20 5 EDBDHN COC(=O)c1cc(N2CCN(C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301590582 318915157 /nfs/dbraw/zinc/91/51/57/318915157.db2.gz XILXUGXQHVKMNC-CYBMUJFWSA-N 0 3 349.387 1.540 20 5 EDBDHN C[C@H](N[C@H](CO)[C@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411995512 319219783 /nfs/dbraw/zinc/21/97/83/319219783.db2.gz QADSWGBSTLGNSW-SLEUVZQESA-N 0 3 337.376 1.299 20 5 EDBDHN CCN1CC[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000413565234 319277725 /nfs/dbraw/zinc/27/77/25/319277725.db2.gz HBGRVNSTJCGIHF-NSHDSACASA-N 0 3 342.421 1.351 20 5 EDBDHN CN(C)[C@]1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267196561 443374382 /nfs/dbraw/zinc/37/43/82/443374382.db2.gz DGFUYVYBNSOVGE-HNNXBMFYSA-N 0 3 338.433 1.560 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H]2CN2CCOCC2)c1 ZINC000269680389 443393110 /nfs/dbraw/zinc/39/31/10/443393110.db2.gz XXVHJXZUHDLJEF-SJORKVTESA-N 0 3 335.404 1.425 20 5 EDBDHN COC(=O)C[C@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269658307 443383116 /nfs/dbraw/zinc/38/31/16/443383116.db2.gz NTXLOETZXRYXOG-GFCCVEGCSA-N 0 3 335.360 1.951 20 5 EDBDHN C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272781276 443442679 /nfs/dbraw/zinc/44/26/79/443442679.db2.gz RMWLCECQVGGPBU-CYBMUJFWSA-N 0 3 347.419 1.956 20 5 EDBDHN O=C([C@@H]1CCCN1C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000279402585 443577768 /nfs/dbraw/zinc/57/77/68/443577768.db2.gz DBCWQBSBEZPSGQ-KRWDZBQOSA-N 0 3 344.415 1.870 20 5 EDBDHN CC1(C)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1O ZINC000279877867 443634635 /nfs/dbraw/zinc/63/46/35/443634635.db2.gz UFUUAGFVFZWNLM-ZDUSSCGKSA-N 0 3 325.340 1.765 20 5 EDBDHN COCCCN1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439172472 320041271 /nfs/dbraw/zinc/04/12/71/320041271.db2.gz XLCMMIWLWIGZJI-UHFFFAOYSA-N 0 3 336.392 1.607 20 5 EDBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000286190757 443665251 /nfs/dbraw/zinc/66/52/51/443665251.db2.gz RTUVSMNMBDUBQB-LBPRGKRZSA-N 0 3 333.348 1.359 20 5 EDBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000286190757 443665252 /nfs/dbraw/zinc/66/52/52/443665252.db2.gz RTUVSMNMBDUBQB-LBPRGKRZSA-N 0 3 333.348 1.359 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCN1CCCO ZINC000452357193 320248383 /nfs/dbraw/zinc/24/83/83/320248383.db2.gz DTYMNMYFWADHEA-CYBMUJFWSA-N 0 3 337.376 1.180 20 5 EDBDHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292691543 443818543 /nfs/dbraw/zinc/81/85/43/443818543.db2.gz CPKYLIBCMHRVLC-OAHLLOKOSA-N 0 3 339.417 1.701 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000276786504 443826865 /nfs/dbraw/zinc/82/68/65/443826865.db2.gz IVLNWNMDOXEEEQ-OLZOCXBDSA-N 0 3 341.433 1.782 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CC[C@@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285114984 443861068 /nfs/dbraw/zinc/86/10/68/443861068.db2.gz RDWZILLGDRBVMS-AAEUAGOBSA-N 0 3 334.376 1.615 20 5 EDBDHN CCN1CC[C@H]2OCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293405578 444008053 /nfs/dbraw/zinc/00/80/53/444008053.db2.gz YNRVKWOVYRCJHH-JKSUJKDBSA-N 0 3 348.403 1.328 20 5 EDBDHN O=c1c([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)nc2ccccn12 ZINC000301142557 444148631 /nfs/dbraw/zinc/14/86/31/444148631.db2.gz GVTXEXZACVDSIO-GFCCVEGCSA-N 0 3 329.360 1.277 20 5 EDBDHN CCCN1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301266550 444159171 /nfs/dbraw/zinc/15/91/71/444159171.db2.gz IIZLTRRXXGOZAZ-UHFFFAOYSA-N 0 3 342.421 1.164 20 5 EDBDHN Cc1c(CC(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000285989924 444170445 /nfs/dbraw/zinc/17/04/45/444170445.db2.gz YIFIHLKXJBZYAB-JKSUJKDBSA-N 0 3 333.388 1.377 20 5 EDBDHN CC[C@@H](C)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000296121739 444206366 /nfs/dbraw/zinc/20/63/66/444206366.db2.gz QYFULPKCJHUDLM-CABCVRRESA-N 0 3 337.420 1.751 20 5 EDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000286003665 444173868 /nfs/dbraw/zinc/17/38/68/444173868.db2.gz IVRPCZQQUQZPPV-CYBMUJFWSA-N 0 3 347.375 1.370 20 5 EDBDHN CCc1ccc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000577487610 321656983 /nfs/dbraw/zinc/65/69/83/321656983.db2.gz FWGPUZWRPBLNHS-ZDUSSCGKSA-N 0 3 341.433 1.872 20 5 EDBDHN CN(C[C@@H](O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C1CC1 ZINC000290830889 444328162 /nfs/dbraw/zinc/32/81/62/444328162.db2.gz UPQRWBQACIDVJM-OAHLLOKOSA-N 0 3 344.371 1.274 20 5 EDBDHN Cc1cccc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1[N+](=O)[O-] ZINC000579836778 321976762 /nfs/dbraw/zinc/97/67/62/321976762.db2.gz TVVRENXMIWNUOU-CYBMUJFWSA-N 0 3 344.375 1.431 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNC[C@@H]1C(F)F ZINC000579958669 321992031 /nfs/dbraw/zinc/99/20/31/321992031.db2.gz OUPAMZIBBMIDMV-GFCCVEGCSA-N 0 3 328.319 1.381 20 5 EDBDHN C[C@H]1C[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000580979502 322119870 /nfs/dbraw/zinc/11/98/70/322119870.db2.gz JKZOGSSZXSFCMA-QWHCGFSZSA-N 0 3 342.417 1.773 20 5 EDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341541868 444883677 /nfs/dbraw/zinc/88/36/77/444883677.db2.gz DRMBQLKOEVHUIL-BETUJISGSA-N 0 3 348.403 1.912 20 5 EDBDHN C[C@@H](NCC1(O)CCS(=O)(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000330522183 445017115 /nfs/dbraw/zinc/01/71/15/445017115.db2.gz MCPYORPWTTYNIR-LLVKDONJSA-N 0 3 328.390 1.185 20 5 EDBDHN C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000343141346 445091158 /nfs/dbraw/zinc/09/11/58/445091158.db2.gz XQXAFHDXFJHCHK-QWHCGFSZSA-N 0 3 336.392 1.136 20 5 EDBDHN C[C@H](CN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000346137523 445206607 /nfs/dbraw/zinc/20/66/07/445206607.db2.gz FLQZEQNXMKXDHR-GFCCVEGCSA-N 0 3 336.392 1.111 20 5 EDBDHN COC(=O)C1CCN(CCCNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000354566355 445297200 /nfs/dbraw/zinc/29/72/00/445297200.db2.gz DJEFBERCMRKJBN-UHFFFAOYSA-N 0 3 336.392 1.985 20 5 EDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000357300714 445535355 /nfs/dbraw/zinc/53/53/55/445535355.db2.gz BQAYSDKYJULROB-CYBMUJFWSA-N 0 3 347.375 1.370 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000352119283 445505025 /nfs/dbraw/zinc/50/50/25/445505025.db2.gz DMLJPEICRNRQKZ-CQSZACIVSA-N 0 3 329.784 1.681 20 5 EDBDHN C[C@H]1[C@@H](N(C)CCO)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356047988 445589887 /nfs/dbraw/zinc/58/98/87/445589887.db2.gz OVFODMOMJZTSPL-FZMZJTMJSA-N 0 3 346.387 1.603 20 5 EDBDHN Cn1nccc1-c1ccccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000352670908 445546906 /nfs/dbraw/zinc/54/69/06/445546906.db2.gz JLPYWTMISUAFQY-UHFFFAOYSA-N 0 3 326.360 1.982 20 5 EDBDHN CN(C)C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000360212875 445632478 /nfs/dbraw/zinc/63/24/78/445632478.db2.gz LSOGPGZRGUNCLB-GFCCVEGCSA-N 0 3 335.339 1.500 20 5 EDBDHN CCN1C[C@@H](C)[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000349660533 445638113 /nfs/dbraw/zinc/63/81/13/445638113.db2.gz CIHRCFZLZSIDQK-DOMZBBRYSA-N 0 3 341.433 1.298 20 5 EDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000364983370 445973290 /nfs/dbraw/zinc/97/32/90/445973290.db2.gz YIOIPVJRCOOKNI-AWEZNQCLSA-N 0 3 336.367 1.652 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CN1Cc1ccccc1 ZINC000356749993 445987470 /nfs/dbraw/zinc/98/74/70/445987470.db2.gz ZAKQAVWTKIOMAX-TZMCWYRMSA-N 0 3 343.387 1.721 20 5 EDBDHN CN(C)[C@H]1CCc2ccccc2[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000361830410 445987568 /nfs/dbraw/zinc/98/75/68/445987568.db2.gz MIOYGYGCOGFOCT-JSGCOSHPSA-N 0 3 328.376 1.997 20 5 EDBDHN CC(C)NS(=O)(=O)NCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582796040 325931486 /nfs/dbraw/zinc/93/14/86/325931486.db2.gz HSVUWCLEBROSNL-ZDUSSCGKSA-N 0 3 342.421 1.004 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359218117 446048536 /nfs/dbraw/zinc/04/85/36/446048536.db2.gz CNIOPEJYGTVMFK-LBPRGKRZSA-N 0 3 334.376 1.639 20 5 EDBDHN Cc1ccnc([C@@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000583271484 326039884 /nfs/dbraw/zinc/03/98/84/326039884.db2.gz GULRHKBZPVKSPJ-CQSZACIVSA-N 0 3 328.372 1.949 20 5 EDBDHN C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000351503832 446108601 /nfs/dbraw/zinc/10/86/01/446108601.db2.gz UISUSTWHYPKQGH-NOZJJQNGSA-N 0 3 338.339 1.081 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359415320 446210696 /nfs/dbraw/zinc/21/06/96/446210696.db2.gz UROLOJWXOXFTOU-AWEZNQCLSA-N 0 3 347.318 1.239 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000376189064 446372792 /nfs/dbraw/zinc/37/27/92/446372792.db2.gz RWPGKHQLVWTWLL-OLZOCXBDSA-N 0 3 349.387 1.965 20 5 EDBDHN C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000376446889 446501847 /nfs/dbraw/zinc/50/18/47/446501847.db2.gz DLPYBZKFZGIMOT-ZDUSSCGKSA-N 0 3 333.436 1.782 20 5 EDBDHN CN1C(=O)N[C@@]2(CCC[C@@H]2CNCc2csc([N+](=O)[O-])c2)C1=O ZINC000371086475 446619985 /nfs/dbraw/zinc/61/99/85/446619985.db2.gz LGBDNKSOPOICDC-QMTHXVAHSA-N 0 3 338.389 1.466 20 5 EDBDHN CN(C(=O)CN[C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000375279006 446690479 /nfs/dbraw/zinc/69/04/79/446690479.db2.gz DPNMXMFUPBZXPE-PBHICJAKSA-N 0 3 346.387 1.204 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H](N(C)C)C2)c1F ZINC000411981626 446773411 /nfs/dbraw/zinc/77/34/11/446773411.db2.gz IZKRGVSRZSGHED-SNVBAGLBSA-N 0 3 325.340 1.448 20 5 EDBDHN CC(C)COC[C@H](O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402612 446776269 /nfs/dbraw/zinc/77/62/69/446776269.db2.gz KCCPZHHSANXVIW-UKRRQHHQSA-N 0 3 326.397 1.462 20 5 EDBDHN COC(=O)[C@H]1CSCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000412080720 446839154 /nfs/dbraw/zinc/83/91/54/446839154.db2.gz QDFSDKFTCFAZGI-GFCCVEGCSA-N 0 3 340.401 1.812 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCCN1CCO ZINC000455151716 447065378 /nfs/dbraw/zinc/06/53/78/447065378.db2.gz AANYOOJSIPWLAO-CQSZACIVSA-N 0 3 336.392 1.872 20 5 EDBDHN CNc1nc(C(=O)NC[C@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000455874969 447246900 /nfs/dbraw/zinc/24/69/00/447246900.db2.gz MGICWRROPXGATH-CQSZACIVSA-N 0 3 339.421 1.199 20 5 EDBDHN CN(C)CCN1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000377577403 447217180 /nfs/dbraw/zinc/21/71/80/447217180.db2.gz PKFPRYYVYZZEJC-UHFFFAOYSA-N 0 3 338.383 1.443 20 5 EDBDHN CN(C[C@@H]1CCCN1C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000421705602 447225519 /nfs/dbraw/zinc/22/55/19/447225519.db2.gz RTFNGGNQURIULF-LBPRGKRZSA-N 0 3 348.359 1.055 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000421767687 447243740 /nfs/dbraw/zinc/24/37/40/447243740.db2.gz BNHRUNRNICZMGT-ZDUSSCGKSA-N 0 3 348.447 1.825 20 5 EDBDHN O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000372749686 447267503 /nfs/dbraw/zinc/26/75/03/447267503.db2.gz ILNJPZUKJOJGLE-KBPBESRZSA-N 0 3 328.372 2.418 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)c2ccccc2O1 ZINC000372783294 447283221 /nfs/dbraw/zinc/28/32/21/447283221.db2.gz IUGMITXARHUMAY-GFCCVEGCSA-N 0 3 345.359 1.147 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000420038307 447560347 /nfs/dbraw/zinc/56/03/47/447560347.db2.gz KEKQKKYUPCAJCN-MRXNPFEDSA-N 0 3 334.376 1.509 20 5 EDBDHN CC(COC(=O)CCOC1CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000495899980 447629155 /nfs/dbraw/zinc/62/91/55/447629155.db2.gz WYTLIYWWKQJOTI-JTQLQIEISA-N 0 3 332.353 1.221 20 5 EDBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCN(C)C ZINC000552310920 447943373 /nfs/dbraw/zinc/94/33/73/447943373.db2.gz OPQUMPQZXPEJNZ-VIFPVBQESA-N 0 3 342.783 1.044 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000525291449 447987646 /nfs/dbraw/zinc/98/76/46/447987646.db2.gz HIADRXVMYJSSRG-NSHDSACASA-N 0 3 335.360 1.438 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000531283516 448052992 /nfs/dbraw/zinc/05/29/92/448052992.db2.gz OTENBAJELGRIDO-LLVKDONJSA-N 0 3 334.376 1.300 20 5 EDBDHN NCc1cn([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)nn1 ZINC000571881315 448226273 /nfs/dbraw/zinc/22/62/73/448226273.db2.gz YQNQUVKCIHFRKJ-SNVBAGLBSA-N 0 3 336.377 1.184 20 5 EDBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000582720813 448320290 /nfs/dbraw/zinc/32/02/90/448320290.db2.gz IMFDUNRITVKNMR-LBPRGKRZSA-N 0 3 340.767 1.604 20 5 EDBDHN CCCN1C[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O ZINC000591504092 448379997 /nfs/dbraw/zinc/37/99/97/448379997.db2.gz OOCHXBJUGHCJLI-GFCCVEGCSA-N 0 3 349.387 1.714 20 5 EDBDHN C[C@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000566791497 448558278 /nfs/dbraw/zinc/55/82/78/448558278.db2.gz CJSLFVKEFMBYJZ-CQSZACIVSA-N 0 3 328.390 1.527 20 5 EDBDHN CN1CCN(CCCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000591888630 448541157 /nfs/dbraw/zinc/54/11/57/448541157.db2.gz FERGMSXXCJMJBP-UHFFFAOYSA-N 0 3 333.436 1.918 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000591984436 448610362 /nfs/dbraw/zinc/61/03/62/448610362.db2.gz GRWRAYWXJBJJGX-JTQLQIEISA-N 0 3 332.364 1.027 20 5 EDBDHN O=[N+]([O-])c1ccccc1CN(CCOCCO)[C@H]1CC[C@H](O)CC1 ZINC000592130989 448700773 /nfs/dbraw/zinc/70/07/73/448700773.db2.gz OAXJFVYCZHNNKX-WKILWMFISA-N 0 3 338.404 1.709 20 5 EDBDHN CN1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](Cc2ccccc2)C1 ZINC000593088652 449128500 /nfs/dbraw/zinc/12/85/00/449128500.db2.gz JVJGNBQSBNPWIQ-MRXNPFEDSA-N 0 3 329.404 1.650 20 5 EDBDHN CC(C)(C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000599939954 449118472 /nfs/dbraw/zinc/11/84/72/449118472.db2.gz KADRAETYFMQNSU-ZIAGYGMSSA-N 0 3 347.415 1.540 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590278839 449122734 /nfs/dbraw/zinc/12/27/34/449122734.db2.gz VCVZOURCTHHIOT-TZMCWYRMSA-N 0 3 346.387 1.313 20 5 EDBDHN O=[N+]([O-])c1cccc(OCCN2CCC(Cn3cnnc3)CC2)c1 ZINC000593075070 449123595 /nfs/dbraw/zinc/12/35/95/449123595.db2.gz AXVVIYAHXKIDRN-UHFFFAOYSA-N 0 3 331.376 1.977 20 5 EDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](C)CN(C)C)c1 ZINC000593707739 449154287 /nfs/dbraw/zinc/15/42/87/449154287.db2.gz PLPAATXGBCUIJI-LBPRGKRZSA-N 0 3 345.403 1.828 20 5 EDBDHN COc1ccc(NC(=O)CCN2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595756007 449149189 /nfs/dbraw/zinc/14/91/89/449149189.db2.gz BAFSCCLWLLQUBA-MEDUHNTESA-N 0 3 335.360 1.389 20 5 EDBDHN Cc1ccc(CN2CC[C@@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000601879018 449202396 /nfs/dbraw/zinc/20/23/96/449202396.db2.gz FKFYLELMOOFMBV-OAHLLOKOSA-N 0 3 343.387 1.490 20 5 EDBDHN CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598040188 449208673 /nfs/dbraw/zinc/20/86/73/449208673.db2.gz DMCRCLXQERZPMF-AWEZNQCLSA-N 0 3 349.387 1.938 20 5 EDBDHN C[C@@H](CCCCO)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611520926 449318419 /nfs/dbraw/zinc/31/84/19/449318419.db2.gz QTSBYZMNAWVJBX-LBPRGKRZSA-N 0 3 345.421 1.014 20 5 EDBDHN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)N1CCN(C)CC1 ZINC000596069942 449347415 /nfs/dbraw/zinc/34/74/15/449347415.db2.gz KPJMBEODFQISFZ-MRXNPFEDSA-N 0 3 349.435 1.378 20 5 EDBDHN CCN1CCN(CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000596073648 449349951 /nfs/dbraw/zinc/34/99/51/449349951.db2.gz OBLPSRSFHKLRQA-UHFFFAOYSA-N 0 3 329.404 2.192 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000598343310 449357884 /nfs/dbraw/zinc/35/78/84/449357884.db2.gz UBWPMZQTVDQFDI-LLVKDONJSA-N 0 3 337.376 1.826 20 5 EDBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1(C)C ZINC000596221178 449423146 /nfs/dbraw/zinc/42/31/46/449423146.db2.gz AWVFWBUIMDQGMU-UHFFFAOYSA-N 0 3 335.408 1.132 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N2C[C@@H](C)N[C@@H](CC)C2)cc([N+](=O)[O-])c1 ZINC000598536830 449453163 /nfs/dbraw/zinc/45/31/63/449453163.db2.gz ZALUCSXQGXGEBJ-RISCZKNCSA-N 0 3 349.387 1.984 20 5 EDBDHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000600622615 449463988 /nfs/dbraw/zinc/46/39/88/449463988.db2.gz JSZWUEGODSDCQL-FPMFFAJLSA-N 0 3 348.403 1.549 20 5 EDBDHN COCC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594576854 449581389 /nfs/dbraw/zinc/58/13/89/449581389.db2.gz CBFWVMWBBQMJQF-UHFFFAOYSA-N 0 3 328.390 1.385 20 5 EDBDHN CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CN)C1 ZINC000598913001 449644243 /nfs/dbraw/zinc/64/42/43/449644243.db2.gz DUIBGWGDSOHACE-JTQLQIEISA-N 0 3 327.772 1.355 20 5 EDBDHN CC(C)(C)N1CC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594801823 449712727 /nfs/dbraw/zinc/71/27/27/449712727.db2.gz SYEXYMQZCUJOOV-ZDUSSCGKSA-N 0 3 341.433 1.887 20 5 EDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCN1CC[C@H](O)C1 ZINC000602730589 449771596 /nfs/dbraw/zinc/77/15/96/449771596.db2.gz RBPICSLHTCBCOJ-LBPRGKRZSA-N 0 3 333.310 1.770 20 5 EDBDHN CO[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCOC1 ZINC000594951747 449817992 /nfs/dbraw/zinc/81/79/92/449817992.db2.gz NBPTUOFFCAPZLY-BDJLRTHQSA-N 0 3 338.360 1.507 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000594969128 449823890 /nfs/dbraw/zinc/82/38/90/449823890.db2.gz MPHCDNZNWVEGLD-NSHDSACASA-N 0 3 338.360 1.397 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCN1CCN(C)CC1 ZINC000595005049 449839806 /nfs/dbraw/zinc/83/98/06/449839806.db2.gz WFQKNWDXMJDOFC-AWEZNQCLSA-N 0 3 336.436 1.892 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(OCCO)CCOC1 ZINC000595077918 449857792 /nfs/dbraw/zinc/85/77/92/449857792.db2.gz LAOYNARBBVZQJS-BLLLJJGKSA-N 0 3 340.376 1.422 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000597300985 449929798 /nfs/dbraw/zinc/92/97/98/449929798.db2.gz LSBOAGDJGVRSSB-CQSZACIVSA-N 0 3 348.403 1.120 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595232991 449963525 /nfs/dbraw/zinc/96/35/25/449963525.db2.gz GUWPVHABVDTWBF-UHFFFAOYSA-N 0 3 346.347 1.488 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[C@H]1N(C)C ZINC000615297025 450051925 /nfs/dbraw/zinc/05/19/25/450051925.db2.gz MKZJTTGHAVRCAP-ZIAGYGMSSA-N 0 3 341.433 1.973 20 5 EDBDHN C[C@H](C(=O)N1CCC[C@](O)(CN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597574048 450118609 /nfs/dbraw/zinc/11/86/09/450118609.db2.gz MDHSMRHITBWLTH-GUYCJALGSA-N 0 3 335.404 1.613 20 5 EDBDHN O=C1N[C@@H]2CCCC[C@H]2C[C@H]1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461890 450158619 /nfs/dbraw/zinc/15/86/19/450158619.db2.gz QKHSUJXOOVNXIA-NWANDNLSSA-N 0 3 347.419 1.876 20 5 EDBDHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000619786661 450334783 /nfs/dbraw/zinc/33/47/83/450334783.db2.gz CZBRHKMRNGMGBZ-CQSZACIVSA-N 0 3 343.387 1.960 20 5 EDBDHN Cc1nc(N[C@@H]2CCCN(CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000603421779 450294124 /nfs/dbraw/zinc/29/41/24/450294124.db2.gz CDNQTHIOXPFZPS-OAHLLOKOSA-N 0 3 349.435 1.507 20 5 EDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H](CO)Cc1ccco1)OCCO2 ZINC000610871156 450362377 /nfs/dbraw/zinc/36/23/77/450362377.db2.gz LWMNGSKORLWQQW-GFCCVEGCSA-N 0 3 348.355 1.900 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000125072705 535540260 /nfs/dbraw/zinc/54/02/60/535540260.db2.gz KTLXLANWPGZHCN-UHFFFAOYSA-N 0 3 329.422 1.832 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000046946518 535728951 /nfs/dbraw/zinc/72/89/51/535728951.db2.gz CQEZDZRJDPAXQU-AWEZNQCLSA-N 0 3 334.420 1.659 20 5 EDBDHN COCc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000090394465 536824768 /nfs/dbraw/zinc/82/47/68/536824768.db2.gz JXHVLRWUYKEAML-WCQYABFASA-N 0 3 331.376 1.998 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000246121711 536953152 /nfs/dbraw/zinc/95/31/52/536953152.db2.gz ILUPUMHHZFDNAP-HIFRSBDPSA-N 0 3 348.403 1.982 20 5 EDBDHN O=[N+]([O-])c1cn(CN2CC[C@@H](N3CC=CC3)C2)nc1-c1ccncc1 ZINC000742162222 579437194 /nfs/dbraw/zinc/43/71/94/579437194.db2.gz SVXKWUIMSOVMGW-OAHLLOKOSA-N 0 3 340.387 1.757 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@H]1C ZINC000743980692 579496619 /nfs/dbraw/zinc/49/66/19/579496619.db2.gz GXSWQGZOHZZUFT-GFCCVEGCSA-N 0 3 334.376 1.442 20 5 EDBDHN CN1CCC[C@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000731024889 578666039 /nfs/dbraw/zinc/66/60/39/578666039.db2.gz KFUISGPYMSUPGZ-GFCCVEGCSA-N 0 3 331.376 1.403 20 5 EDBDHN Cc1nn(CN(C)[C@@H]2CCN(C3CC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954120 579745163 /nfs/dbraw/zinc/74/51/63/579745163.db2.gz RCSJKXLNVHAMKO-CYBMUJFWSA-N 0 3 330.392 1.774 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(-n3ccnc3)nc2)cc1 ZINC000753369754 579878073 /nfs/dbraw/zinc/87/80/73/579878073.db2.gz YCLDSNOBVYEMKT-MRXNPFEDSA-N 0 3 339.355 1.999 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000753707477 579885426 /nfs/dbraw/zinc/88/54/26/579885426.db2.gz PXPRIYASPXLPFU-DGCLKSJQSA-N 0 3 343.387 1.686 20 5 EDBDHN COc1cccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000767774242 580199150 /nfs/dbraw/zinc/19/91/50/580199150.db2.gz GDHDEMWLZGKVPZ-NWDGAFQWSA-N 0 3 335.360 1.196 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000770222506 580255963 /nfs/dbraw/zinc/25/59/63/580255963.db2.gz LPVZDBXWBITDCR-ZDUSSCGKSA-N 0 3 332.408 1.680 20 5 EDBDHN CC(C)c1n[nH]c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000771378693 580285367 /nfs/dbraw/zinc/28/53/67/580285367.db2.gz GZUJNVCJZLXFSE-QWRGUYRKSA-N 0 3 337.380 1.034 20 5 EDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)OCC1CCN(Cc2ccco2)CC1 ZINC000772693550 580318019 /nfs/dbraw/zinc/31/80/19/580318019.db2.gz MWSYUQJQVMNANM-UHFFFAOYSA-N 0 3 349.347 1.235 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOCCS(C)(=O)=O ZINC000773012007 580325141 /nfs/dbraw/zinc/32/51/41/580325141.db2.gz CBJRPKBRYFPCQF-GFCCVEGCSA-N 0 3 330.406 1.615 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000776578568 580421943 /nfs/dbraw/zinc/42/19/43/580421943.db2.gz GKTCFTHPCNSSII-ROUUACIJSA-N 0 3 349.431 1.815 20 5 EDBDHN CN(C)C(=O)CC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000781347230 580547228 /nfs/dbraw/zinc/54/72/28/580547228.db2.gz QKGOEIIQQYXDOG-INIZCTEOSA-N 0 3 335.404 1.819 20 5 EDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781951642 580561182 /nfs/dbraw/zinc/56/11/82/580561182.db2.gz ZQUVLLRXKIRXNC-BDJLRTHQSA-N 0 3 344.371 1.441 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)NCCN2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000783919541 580608315 /nfs/dbraw/zinc/60/83/15/580608315.db2.gz RDMILDMZIZOKQU-ZDUSSCGKSA-N 0 3 348.403 1.234 20 5 EDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000786974587 580685662 /nfs/dbraw/zinc/68/56/62/580685662.db2.gz LPPKTWLXGVSXHD-AWEZNQCLSA-N 0 3 348.403 1.550 20 5 EDBDHN C[C@H]1CN(c2ccncc2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000895268556 591690713 /nfs/dbraw/zinc/69/07/13/591690713.db2.gz OPSQWRVULXJVSM-NSHDSACASA-N 0 3 330.348 1.074 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@H]3CCCN4CCO)c21 ZINC000897221634 591776619 /nfs/dbraw/zinc/77/66/19/591776619.db2.gz NYHXVZUEJMAKSQ-UONOGXRCSA-N 0 3 343.387 1.573 20 5 EDBDHN CNCCN(C(C)C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000903590296 592234655 /nfs/dbraw/zinc/23/46/55/592234655.db2.gz SWSZSOYCVVQWKO-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN C[C@H](NC(=O)c1ccnn1CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000901328024 592330311 /nfs/dbraw/zinc/33/03/11/592330311.db2.gz ANBZUNRNJAMFMT-LBPRGKRZSA-N 0 3 331.376 1.844 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H](O)Cc2ccc(F)cc2)c1 ZINC000905470243 592544259 /nfs/dbraw/zinc/54/42/59/592544259.db2.gz CCYJSNSECSHPTP-DLBZAZTESA-N 0 3 334.347 1.961 20 5 EDBDHN CCc1[nH]nc(C(=O)N2CCN(C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908573769 592544841 /nfs/dbraw/zinc/54/48/41/592544841.db2.gz PQGLCVQRUUJDBS-UHFFFAOYSA-N 0 3 335.408 1.971 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000907446717 592659787 /nfs/dbraw/zinc/65/97/87/592659787.db2.gz BURPKAILWAHLME-UHFFFAOYSA-N 0 3 326.784 1.997 20 5 EDBDHN CSc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813102257 593517438 /nfs/dbraw/zinc/51/74/38/593517438.db2.gz CSIYKTUEXYCNQL-MNOVXSKESA-N 0 3 338.385 1.970 20 5 EDBDHN CC(COC(=O)CCCOc1ccc2c(c1)NC(=O)CC2)[N+](=O)[O-] ZINC000813102661 593517562 /nfs/dbraw/zinc/51/75/62/593517562.db2.gz IHKPEAVUNHUTKZ-NSHDSACASA-N 0 3 336.344 1.939 20 5 EDBDHN CC(COC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2)[N+](=O)[O-] ZINC000813111115 593518407 /nfs/dbraw/zinc/51/84/07/593518407.db2.gz OCTFNJJSWLUEHG-SNVBAGLBSA-N 0 3 334.328 1.743 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816953588 593563231 /nfs/dbraw/zinc/56/32/31/593563231.db2.gz JYCOWTZEHXAEKE-PRHODGIISA-N 0 3 333.373 1.376 20 5 EDBDHN CC1(C)OCC(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CO1 ZINC000819225921 593745502 /nfs/dbraw/zinc/74/55/02/593745502.db2.gz JOPSQDPSSKLZQK-ZDUSSCGKSA-N 0 3 326.349 1.076 20 5 EDBDHN CC1(C)OCC(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CO1 ZINC000819226482 593745535 /nfs/dbraw/zinc/74/55/35/593745535.db2.gz REPOXKRNMQGQCL-LBPRGKRZSA-N 0 3 326.349 1.076 20 5 EDBDHN CCS(=O)(=O)CCNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000819316816 593750504 /nfs/dbraw/zinc/75/05/04/593750504.db2.gz LBTCTDJDKXZAPM-UHFFFAOYSA-N 0 3 325.390 1.643 20 5 EDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000820459445 593820149 /nfs/dbraw/zinc/82/01/49/593820149.db2.gz SACZXFXPOWSPES-CABCVRRESA-N 0 3 334.376 1.112 20 5 EDBDHN CN1CCC(N(CCO)C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824157858 593940938 /nfs/dbraw/zinc/94/09/38/593940938.db2.gz KHCAGWJPXZRHDL-SJORKVTESA-N 0 3 347.415 1.613 20 5 EDBDHN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000825763676 594240749 /nfs/dbraw/zinc/24/07/49/594240749.db2.gz ATQFHOZWYWIWLO-JKSUJKDBSA-N 0 3 333.388 1.715 20 5 EDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831416061 594626776 /nfs/dbraw/zinc/62/67/76/594626776.db2.gz KHFOJWYASHXERO-LSDHHAIUSA-N 0 3 335.404 1.865 20 5 EDBDHN CCO[C@@H](CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])CN(C)C ZINC000831713155 594695229 /nfs/dbraw/zinc/69/52/29/594695229.db2.gz JCLVXDNSPPPFHL-JTQLQIEISA-N 0 3 343.355 1.439 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)n1 ZINC000832048662 594722062 /nfs/dbraw/zinc/72/20/62/594722062.db2.gz WWVLIKWDZJOYKP-KGLIPLIRSA-N 0 3 336.392 1.799 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]21 ZINC000836849859 595004338 /nfs/dbraw/zinc/00/43/38/595004338.db2.gz RBWWIJYBFDOIRV-DYVFJYSZSA-N 0 3 344.415 1.971 20 5 EDBDHN CCN(OC)C(=O)CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000843431051 595109208 /nfs/dbraw/zinc/10/92/08/595109208.db2.gz VZYOVZKPJYQQES-NSHDSACASA-N 0 3 338.364 1.311 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1 ZINC000843468475 595121579 /nfs/dbraw/zinc/12/15/79/595121579.db2.gz UANHIJXSJSWTMK-CYBMUJFWSA-N 0 3 325.340 1.569 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000834564282 595163764 /nfs/dbraw/zinc/16/37/64/595163764.db2.gz IZLAYDCYVVCQQT-HNNXBMFYSA-N 0 3 325.340 1.263 20 5 EDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000842690944 595171505 /nfs/dbraw/zinc/17/15/05/595171505.db2.gz HIMCKOXMGKCEED-UHFFFAOYSA-N 0 3 335.813 1.835 20 5 EDBDHN [NH3+]C1CC2(C1)CC([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000842795820 595202192 /nfs/dbraw/zinc/20/21/92/595202192.db2.gz ZDOOCLBQZVASNA-UHFFFAOYSA-N 0 3 345.808 1.796 20 5 EDBDHN [NH3+]C[C@@H]1CC[C@@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857765440 595600230 /nfs/dbraw/zinc/60/02/30/595600230.db2.gz GRMYRAYMJNOFPL-NXEZZACHSA-N 0 3 329.303 1.810 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000852918686 595614883 /nfs/dbraw/zinc/61/48/83/595614883.db2.gz HVENBPHBYLPOIL-NXEZZACHSA-N 0 3 326.284 1.323 20 5 EDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1[C@H]3C[C@H]4CO[C@H]1[C@H]4C3)OCCO2 ZINC000865692629 596652208 /nfs/dbraw/zinc/65/22/08/596652208.db2.gz MHAZDBZYZXRHAU-PXFDNMLUSA-N 0 3 332.356 1.879 20 5 EDBDHN CN1CCN(C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000866211232 596829376 /nfs/dbraw/zinc/82/93/76/596829376.db2.gz CLZRMRBFBCLTSR-UHFFFAOYSA-N 0 3 339.827 1.859 20 5 EDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000866384515 596872264 /nfs/dbraw/zinc/87/22/64/596872264.db2.gz ZFMIXUVEFYYATM-MFKMUULPSA-N 0 3 345.396 1.288 20 5 EDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000874847501 597199316 /nfs/dbraw/zinc/19/93/16/597199316.db2.gz PEAHWWZTFQHEAM-STQMWFEESA-N 0 3 347.371 1.675 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000918464480 697169145 /nfs/dbraw/zinc/16/91/45/697169145.db2.gz AHBBVGNQFWZQBK-CYBMUJFWSA-N 0 3 348.403 1.832 20 5 EDBDHN CC1(NCc2nnc(C3CC3)o2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940107705 700219754 /nfs/dbraw/zinc/21/97/54/700219754.db2.gz PNUDAJDGIGMNHF-VXGBXAGGSA-N 0 3 349.391 1.083 20 5 EDBDHN COc1ccc(CNC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000922850766 704437879 /nfs/dbraw/zinc/43/78/79/704437879.db2.gz CYARXTNHKSOXMU-YHWZYXNKSA-N 0 3 340.401 1.801 20 5 EDBDHN COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c([N+](=O)[O-])cc1OC ZINC000174696475 231282219 /nfs/dbraw/zinc/28/22/19/231282219.db2.gz DNTPOJWIHDAVBS-NWDGAFQWSA-N 0 3 349.387 1.921 20 5 EDBDHN Cc1nn(CCC(=O)N(CCN(C)C)CC(C)C)c(C)c1[N+](=O)[O-] ZINC000102488438 219206941 /nfs/dbraw/zinc/20/69/41/219206941.db2.gz OGEFGRFZIWWDGT-UHFFFAOYSA-N 0 3 339.440 1.844 20 5 EDBDHN CC1CCN(CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000068279021 215296071 /nfs/dbraw/zinc/29/60/71/215296071.db2.gz MUGVXXQQIAAFBB-UHFFFAOYSA-N 0 3 349.387 1.634 20 5 EDBDHN COCCN(C)C[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478459 306299754 /nfs/dbraw/zinc/29/97/54/306299754.db2.gz HNJWCJDCYWGNJZ-UKRRQHHQSA-N 0 3 325.409 1.493 20 5 EDBDHN COC(=O)c1cccc(Oc2ncnc3c2CN(C)CC3)c1[N+](=O)[O-] ZINC000413553979 304066212 /nfs/dbraw/zinc/06/62/12/304066212.db2.gz MRBZTJZPDCLXOG-UHFFFAOYSA-N 0 3 344.327 1.952 20 5 EDBDHN CCN(CC)C[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565298873 306381100 /nfs/dbraw/zinc/38/11/00/306381100.db2.gz ATQBNTAWKBHTIK-CYBMUJFWSA-N 0 3 343.449 1.688 20 5 EDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000247257252 139142585 /nfs/dbraw/zinc/14/25/85/139142585.db2.gz DWUKXPLNGWNKPR-IINYFYTJSA-N 0 3 331.376 1.883 20 5 EDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261686584 139217493 /nfs/dbraw/zinc/21/74/93/139217493.db2.gz NGEHTFOXTZBTCQ-CKEIUWERSA-N 0 3 333.388 1.744 20 5 EDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F ZINC000417773214 251264728 /nfs/dbraw/zinc/26/47/28/251264728.db2.gz WTVRTZPUQINPQQ-LBPRGKRZSA-N 0 3 328.319 1.434 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000425067931 252297125 /nfs/dbraw/zinc/29/71/25/252297125.db2.gz SMSPGOLSCCHPKY-ZUZCIYMTSA-N 0 3 339.342 1.968 20 5 EDBDHN C[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000263674449 139351832 /nfs/dbraw/zinc/35/18/32/139351832.db2.gz GZANQURCQCVCRW-CQSZACIVSA-N 0 3 332.404 1.585 20 5 EDBDHN O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1cccnc1 ZINC000489003900 255062174 /nfs/dbraw/zinc/06/21/74/255062174.db2.gz AJKDWXZCEOOZFL-UHFFFAOYSA-N 0 3 344.375 1.852 20 5 EDBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F ZINC000493042410 255189360 /nfs/dbraw/zinc/18/93/60/255189360.db2.gz BXJKKJPUYQNYSM-QQHVMHFCSA-N 0 3 329.278 1.861 20 5 EDBDHN CCN1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117333238 221054108 /nfs/dbraw/zinc/05/41/08/221054108.db2.gz MHVWRIWTWILMEF-UHFFFAOYSA-N 0 3 334.376 1.530 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2n[nH]cc2C1 ZINC000118853770 221196897 /nfs/dbraw/zinc/19/68/97/221196897.db2.gz MDRNOYUINCPCOL-UHFFFAOYSA-N 0 3 345.359 1.713 20 5 EDBDHN CC(C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)S(C)(=O)=O ZINC000154685519 224290170 /nfs/dbraw/zinc/29/01/70/224290170.db2.gz KMFZANPGULUJEP-SNVBAGLBSA-N 0 3 326.374 1.519 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270351207 140084118 /nfs/dbraw/zinc/08/41/18/140084118.db2.gz OMSKLBCNZCLFOB-WBMJQRKESA-N 0 3 332.404 1.919 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@H](N3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000331720382 141072828 /nfs/dbraw/zinc/07/28/28/141072828.db2.gz IRNVNIHBDZHVHF-HNNXBMFYSA-N 0 3 349.435 1.885 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCN1C ZINC000332656402 141224035 /nfs/dbraw/zinc/22/40/35/141224035.db2.gz JRZLOLFEPMEVRU-NEPJUHHUSA-N 0 3 344.375 1.388 20 5 EDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000345705734 143123534 /nfs/dbraw/zinc/12/35/34/143123534.db2.gz KXJHIPJROHUWLP-DZGCQCFKSA-N 0 3 340.401 1.421 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCN(C)C2)c1C ZINC000416495420 304324580 /nfs/dbraw/zinc/32/45/80/304324580.db2.gz LUJNJBXUUIJNAI-LBPRGKRZSA-N 0 3 327.406 1.442 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000416494474 304324362 /nfs/dbraw/zinc/32/43/62/304324362.db2.gz IVJFMJIBEBIXPU-LBPRGKRZSA-N 0 3 327.406 1.442 20 5 EDBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)n(C2CCN(C)CC2)n1 ZINC000360745686 152181916 /nfs/dbraw/zinc/18/19/16/152181916.db2.gz MHAJVRBSLTZVFB-UHFFFAOYSA-N 0 3 347.379 1.352 20 5 EDBDHN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000364342200 153209664 /nfs/dbraw/zinc/20/96/64/153209664.db2.gz IEUQBKDJRRARGE-LSDHHAIUSA-N 0 3 335.408 1.657 20 5 EDBDHN COc1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc([N+](=O)[O-])c1C ZINC000364570938 153275013 /nfs/dbraw/zinc/27/50/13/153275013.db2.gz AHKPBTJZDJBKLN-UONOGXRCSA-N 0 3 349.387 1.505 20 5 EDBDHN CN(C(=O)CN1CCCC[C@H]1C(=N)NO)c1ccc([N+](=O)[O-])cc1 ZINC000364771101 153328732 /nfs/dbraw/zinc/32/87/32/153328732.db2.gz QAOKVFZUHJYBAQ-ZDUSSCGKSA-N 0 3 335.364 1.368 20 5 EDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(C2CCOCC2)CC1 ZINC000371566625 156006301 /nfs/dbraw/zinc/00/63/01/156006301.db2.gz XAWRFSMPAODHLI-UHFFFAOYSA-N 0 3 348.403 1.504 20 5 EDBDHN CCN1CCC(N(C(=O)c2cc([N+](=O)[O-])cnc2N)C2CC2)CC1 ZINC000371947269 156177178 /nfs/dbraw/zinc/17/71/78/156177178.db2.gz KYWSZFBMZYVXKW-UHFFFAOYSA-N 0 3 333.392 1.661 20 5 EDBDHN N=C(NO)[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000374176172 157179758 /nfs/dbraw/zinc/17/97/58/157179758.db2.gz QQOKBZRJOVWXJU-LBPRGKRZSA-N 0 3 346.347 1.955 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000575802925 306672121 /nfs/dbraw/zinc/67/21/21/306672121.db2.gz XVRMEZCDIGWCCS-ZDUSSCGKSA-N 0 3 344.375 1.431 20 5 EDBDHN C[C@@H](N[C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000375503709 287056361 /nfs/dbraw/zinc/05/63/61/287056361.db2.gz XVRBIHRNLDEZPO-JDSLSITLSA-N 0 3 343.387 1.999 20 5 EDBDHN C[C@@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)CN1 ZINC000418084117 304456285 /nfs/dbraw/zinc/45/62/85/304456285.db2.gz OMEJQZQZZSCGRV-NXEZZACHSA-N 0 3 332.364 1.363 20 5 EDBDHN CC(=O)NC[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000067419446 287245864 /nfs/dbraw/zinc/24/58/64/287245864.db2.gz ASRSKTXUNCJJGD-CQSZACIVSA-N 0 3 348.403 1.772 20 5 EDBDHN CN(C)C1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275468382 268347431 /nfs/dbraw/zinc/34/74/31/268347431.db2.gz LJEXUUVEKXRKPX-UHFFFAOYSA-N 0 3 341.433 1.541 20 5 EDBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000275540965 268357843 /nfs/dbraw/zinc/35/78/43/268357843.db2.gz ZJWXDZKVXTXBIJ-JTQLQIEISA-N 0 3 339.323 1.557 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000274336928 273085069 /nfs/dbraw/zinc/08/50/69/273085069.db2.gz CCCUGPJRQUMLBL-NSHDSACASA-N 0 3 327.768 1.651 20 5 EDBDHN C[C@@H]1CN(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277422252 273195096 /nfs/dbraw/zinc/19/50/96/273195096.db2.gz FYOMVOIZNCCZLK-CQSZACIVSA-N 0 3 335.404 1.754 20 5 EDBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000279629512 273314172 /nfs/dbraw/zinc/31/41/72/273314172.db2.gz IJVNVSKDGPAVLK-UHFFFAOYSA-N 0 3 340.811 1.616 20 5 EDBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN(C)C ZINC000284285698 274146902 /nfs/dbraw/zinc/14/69/02/274146902.db2.gz KBEHFRUYDMNLQI-UHFFFAOYSA-N 0 3 330.182 1.957 20 5 EDBDHN CN1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1Cc1ccccc1 ZINC000284818828 274345043 /nfs/dbraw/zinc/34/50/43/274345043.db2.gz QWZFPRIALOOAEL-MRXNPFEDSA-N 0 3 329.404 1.650 20 5 EDBDHN CCN1CCC[C@@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000186202816 276173997 /nfs/dbraw/zinc/17/39/97/276173997.db2.gz QSZXUWINEKXYFS-OAHLLOKOSA-N 0 3 341.433 1.541 20 5 EDBDHN COCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000177248219 277272443 /nfs/dbraw/zinc/27/24/43/277272443.db2.gz MNWTXNYWFSTYRM-WCQYABFASA-N 0 3 331.376 1.998 20 5 EDBDHN CO[C@H]1C[C@H](CN2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000348001201 277761408 /nfs/dbraw/zinc/76/14/08/277761408.db2.gz JNAYYPKGWCJZQK-OLZOCXBDSA-N 0 3 336.392 1.259 20 5 EDBDHN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420419563 278245208 /nfs/dbraw/zinc/24/52/08/278245208.db2.gz IYVACKYNUQKEPX-ZETCQYMHSA-N 0 3 341.311 1.487 20 5 EDBDHN Cc1c(CN2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000286754071 288078514 /nfs/dbraw/zinc/07/85/14/288078514.db2.gz LXAUUUQLRCRZAM-CABCVRRESA-N 0 3 343.387 1.338 20 5 EDBDHN C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000419158770 304572351 /nfs/dbraw/zinc/57/23/51/304572351.db2.gz YFMXGYLRKQSDJA-FZMZJTMJSA-N 0 3 348.403 1.406 20 5 EDBDHN Cn1ccnc1C(=O)c1ccc(N2CCNC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000420280229 304742896 /nfs/dbraw/zinc/74/28/96/304742896.db2.gz PYDSHIGRGDXUGP-UHFFFAOYSA-N 0 3 343.387 1.748 20 5 EDBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420432898 304757743 /nfs/dbraw/zinc/75/77/43/304757743.db2.gz BZPSTPUDYMCDGL-MRVPVSSYSA-N 0 3 341.311 1.629 20 5 EDBDHN COCCN(C)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294588840 303128196 /nfs/dbraw/zinc/12/81/96/303128196.db2.gz PGZRKPCKKBKLIB-UHFFFAOYSA-N 0 3 329.328 1.051 20 5 EDBDHN C[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000295041185 303166400 /nfs/dbraw/zinc/16/64/00/303166400.db2.gz SCHQDBXYIZKWHS-IUODEOHRSA-N 0 3 333.388 1.966 20 5 EDBDHN COc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000295120729 303175617 /nfs/dbraw/zinc/17/56/17/303175617.db2.gz MIVGVKWSDFPCDZ-RNCFNFMXSA-N 0 3 337.351 1.955 20 5 EDBDHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297723985 303434675 /nfs/dbraw/zinc/43/46/75/303434675.db2.gz CAONMDIZOIOYTN-UHFFFAOYSA-N 0 3 342.783 1.643 20 5 EDBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299122586 303586207 /nfs/dbraw/zinc/58/62/07/303586207.db2.gz JKNWAPAJAFOTMX-HNNXBMFYSA-N 0 3 345.403 1.471 20 5 EDBDHN CCc1ccccc1[C@H](N)CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000423938914 304919792 /nfs/dbraw/zinc/91/97/92/304919792.db2.gz KRXKVNMJWRPSFL-CYBMUJFWSA-N 0 3 331.376 1.803 20 5 EDBDHN CCc1ccccc1[C@H](N)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000423975249 304921824 /nfs/dbraw/zinc/92/18/24/304921824.db2.gz LPJNCKMQFBHYLG-OAHLLOKOSA-N 0 3 331.376 1.560 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]1CSCCN1 ZINC000434876030 305131938 /nfs/dbraw/zinc/13/19/38/305131938.db2.gz WKISYLOFXGAANC-NSHDSACASA-N 0 3 325.390 1.315 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@H](CO)[C@H]3CCCO3)o2)c1 ZINC000447911431 305288832 /nfs/dbraw/zinc/28/88/32/305288832.db2.gz DZQQDGDISIZIEY-HUUCEWRRSA-N 0 3 347.371 1.922 20 5 EDBDHN CC[C@@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H](C)O ZINC000449533615 305313003 /nfs/dbraw/zinc/31/30/03/305313003.db2.gz BJURRYCUBWZCJH-CMPLNLGQSA-N 0 3 326.349 1.396 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000449698560 305317375 /nfs/dbraw/zinc/31/73/75/305317375.db2.gz NGVWNBFIEZOJOR-MRXNPFEDSA-N 0 3 346.431 1.690 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc(F)cc([N+](=O)[O-])c1 ZINC000452346576 305390719 /nfs/dbraw/zinc/39/07/19/305390719.db2.gz GYJWBLWHLVTUPT-ZDUSSCGKSA-N 0 3 325.340 1.311 20 5 EDBDHN CNc1nc(C(=O)N2CCC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455541531 305443252 /nfs/dbraw/zinc/44/32/52/305443252.db2.gz XEKVHOCGLVRVKE-LBPRGKRZSA-N 0 3 333.392 1.732 20 5 EDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(CN2CCCCC2)c1 ZINC000058123991 441152253 /nfs/dbraw/zinc/15/22/53/441152253.db2.gz DZPHPNDFVSDTGR-UHFFFAOYSA-N 0 3 344.375 1.811 20 5 EDBDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104748832 441203713 /nfs/dbraw/zinc/20/37/13/441203713.db2.gz YOXQCZUHBMGMOX-JTQLQIEISA-N 0 3 347.824 1.820 20 5 EDBDHN CNS(=O)(=O)c1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000058851334 441215108 /nfs/dbraw/zinc/21/51/08/441215108.db2.gz ZQLGKGWOXMWXSS-UHFFFAOYSA-N 0 3 328.394 1.009 20 5 EDBDHN CCOc1cc(C(=O)NC[C@@H](C)N(C)C)c([N+](=O)[O-])cc1OC ZINC000025149082 441332320 /nfs/dbraw/zinc/33/23/20/441332320.db2.gz GPFPIHMSWKGDBY-SNVBAGLBSA-N 0 3 325.365 1.682 20 5 EDBDHN CN(C)CCNC(=O)c1cccc(CNc2ccncc2[N+](=O)[O-])c1 ZINC000066816395 441570886 /nfs/dbraw/zinc/57/08/86/441570886.db2.gz FBMXPEHDRQWSKM-UHFFFAOYSA-N 0 3 343.387 1.893 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CCO)c1ccccc1 ZINC000090550917 441633383 /nfs/dbraw/zinc/63/33/83/441633383.db2.gz RIPYJVFVPWSKGN-INIZCTEOSA-N 0 3 331.372 1.812 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000076776686 441684567 /nfs/dbraw/zinc/68/45/67/441684567.db2.gz OMDPXYGVODRTBA-UHFFFAOYSA-N 0 3 344.419 1.688 20 5 EDBDHN CCN(CCCNCc1ccc(OC)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000121562085 441732631 /nfs/dbraw/zinc/73/26/31/441732631.db2.gz MOLVHLWTQIABPG-UHFFFAOYSA-N 0 3 345.421 1.365 20 5 EDBDHN COCCN1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000140303554 441836133 /nfs/dbraw/zinc/83/61/33/441836133.db2.gz XOLBMIUNVXAPMJ-UHFFFAOYSA-N 0 3 336.392 1.505 20 5 EDBDHN CCc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000174216648 441904831 /nfs/dbraw/zinc/90/48/31/441904831.db2.gz KHFXPXUXWMJNIK-UHFFFAOYSA-N 0 3 348.447 1.867 20 5 EDBDHN CCN(C)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000078583874 441947035 /nfs/dbraw/zinc/94/70/35/441947035.db2.gz PQGGXWGZXWNXFO-GFCCVEGCSA-N 0 3 341.433 1.776 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000125230817 442000407 /nfs/dbraw/zinc/00/04/07/442000407.db2.gz JIOSAQOKNAJPQE-UWVGGRQHSA-N 0 3 329.378 1.152 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000151148483 442013499 /nfs/dbraw/zinc/01/34/99/442013499.db2.gz NJKZBPPZRKBRAO-UHFFFAOYSA-N 0 3 335.339 1.673 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCC1 ZINC000069902317 442071650 /nfs/dbraw/zinc/07/16/50/442071650.db2.gz JDNBTIIKPAEYIF-UHFFFAOYSA-N 0 3 343.405 1.368 20 5 EDBDHN COC(=O)c1cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000120831067 442139954 /nfs/dbraw/zinc/13/99/54/442139954.db2.gz BPIWRYVVFJOXPG-ABAIWWIYSA-N 0 3 349.387 1.794 20 5 EDBDHN CSCC[C@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169192356 442226292 /nfs/dbraw/zinc/22/62/92/442226292.db2.gz UWGJORKXNAWJTQ-JQWIXIFHSA-N 0 3 339.421 1.083 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000156081707 442446471 /nfs/dbraw/zinc/44/64/71/442446471.db2.gz XMWPVOHEXJMVRA-ZDUSSCGKSA-N 0 3 349.435 1.908 20 5 EDBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000186246792 442495306 /nfs/dbraw/zinc/49/53/06/442495306.db2.gz HAMZTUMEQSZHFU-GFCCVEGCSA-N 0 3 343.387 1.822 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178730737 442466569 /nfs/dbraw/zinc/46/65/69/442466569.db2.gz GQEOUERDXNYNBX-HNNXBMFYSA-N 0 3 337.401 1.852 20 5 EDBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1C ZINC000182146411 442740038 /nfs/dbraw/zinc/74/00/38/442740038.db2.gz YKEDJJDJWDVHJL-CMPLNLGQSA-N 0 3 335.360 1.878 20 5 EDBDHN Nc1c(C(=O)NCc2ccc3c(c2)CNC3)cc(F)cc1[N+](=O)[O-] ZINC000188686024 442787989 /nfs/dbraw/zinc/78/79/89/442787989.db2.gz PIODKTVUOJJEQS-UHFFFAOYSA-N 0 3 330.319 1.849 20 5 EDBDHN COc1cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1OC ZINC000267983953 442807174 /nfs/dbraw/zinc/80/71/74/442807174.db2.gz OTZXQVKEWJXFQR-PWSUYJOCSA-N 0 3 349.387 1.967 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000268189501 442890820 /nfs/dbraw/zinc/89/08/20/442890820.db2.gz DOHGPHDVTYRQFG-RISCZKNCSA-N 0 3 327.406 1.307 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2C[C@H](C)[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000268298275 442937483 /nfs/dbraw/zinc/93/74/83/442937483.db2.gz NYHGVHLBXHXGQP-IINYFYTJSA-N 0 3 334.376 1.250 20 5 EDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@](C)(O)CN(C)C ZINC000184898033 443094027 /nfs/dbraw/zinc/09/40/27/443094027.db2.gz FOYKNMQVGWJTCM-RHSMWYFYSA-N 0 3 337.420 1.592 20 5 EDBDHN CN(C)C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000266335005 443100564 /nfs/dbraw/zinc/10/05/64/443100564.db2.gz HKIMAOUJFFEVAF-LLVKDONJSA-N 0 3 331.319 1.963 20 5 EDBDHN Cc1cnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c([N+](=O)[O-])c1 ZINC000268850697 443127654 /nfs/dbraw/zinc/12/76/54/443127654.db2.gz QNDBZKVOKJCSNL-CYBMUJFWSA-N 0 3 333.392 1.041 20 5 EDBDHN CC(C)(N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269029517 443177924 /nfs/dbraw/zinc/17/79/24/443177924.db2.gz IBDPYOWMGVFDFT-UHFFFAOYSA-N 0 3 334.298 1.879 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@H]1CCC[NH2+]1 ZINC000262392042 443192797 /nfs/dbraw/zinc/19/27/97/443192797.db2.gz BJKCAMBVNYCKBX-SNVBAGLBSA-N 0 3 329.378 1.024 20 5 EDBDHN COC(=O)[C@@H](C)CN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266523945 443155960 /nfs/dbraw/zinc/15/59/60/443155960.db2.gz JRYFUUPMYFEZJK-NSHDSACASA-N 0 3 326.349 1.723 20 5 EDBDHN O=C(CCN1CCC(CO)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185181778 443156728 /nfs/dbraw/zinc/15/67/28/443156728.db2.gz USMYYZUSXUCMJH-UHFFFAOYSA-N 0 3 325.340 1.767 20 5 EDBDHN COC(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc([N+](=O)[O-])c1 ZINC000245442932 443228310 /nfs/dbraw/zinc/22/83/10/443228310.db2.gz IKCKNFQXXFPVMZ-KGLIPLIRSA-N 0 3 347.371 1.690 20 5 EDBDHN COC(=O)CN1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000185649625 443232569 /nfs/dbraw/zinc/23/25/69/443232569.db2.gz CKGPPAQWSLWVMT-UHFFFAOYSA-N 0 3 341.795 1.975 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000185546408 443217298 /nfs/dbraw/zinc/21/72/98/443217298.db2.gz VORHKIZNKMYBJW-AWEZNQCLSA-N 0 3 349.435 1.420 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000411247368 319174615 /nfs/dbraw/zinc/17/46/15/319174615.db2.gz UXUDJJHXNXISKM-OAHLLOKOSA-N 0 3 348.403 1.607 20 5 EDBDHN Cc1c(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)cccc1[N+](=O)[O-] ZINC000415823227 319374686 /nfs/dbraw/zinc/37/46/86/319374686.db2.gz PGSYIVMIXGWDEA-ZDUSSCGKSA-N 0 3 334.376 1.475 20 5 EDBDHN COc1ccc(S(=O)(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000416511461 319436745 /nfs/dbraw/zinc/43/67/45/319436745.db2.gz XJVHDCHWQUMAFF-UHFFFAOYSA-N 0 3 331.394 1.222 20 5 EDBDHN COCCN1CC[C@@H](Nc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000264555185 443324694 /nfs/dbraw/zinc/32/46/94/443324694.db2.gz DMFLTXZBEXKATP-KXQLTZBTSA-N 0 3 349.387 1.914 20 5 EDBDHN CCc1n[nH]c(C(=O)NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267109239 443344483 /nfs/dbraw/zinc/34/44/83/443344483.db2.gz MYQVETFDGPPBTJ-CYBMUJFWSA-N 0 3 327.410 1.047 20 5 EDBDHN COCCN1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000264454753 443297581 /nfs/dbraw/zinc/29/75/81/443297581.db2.gz DEXUIAPYTWCJRR-ZDUSSCGKSA-N 0 3 336.392 1.234 20 5 EDBDHN COc1cc(C(=O)NC[C@@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000267142946 443355902 /nfs/dbraw/zinc/35/59/02/443355902.db2.gz UWRFHEJIRYZLTF-HNNXBMFYSA-N 0 3 339.417 1.771 20 5 EDBDHN CC[C@H](O)[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265185918 443562364 /nfs/dbraw/zinc/56/23/64/443562364.db2.gz HNHHCBYPLYBDTO-XIRDDKMYSA-N 0 3 338.404 1.960 20 5 EDBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N(C)C ZINC000445517446 320130197 /nfs/dbraw/zinc/13/01/97/320130197.db2.gz CJNDJZNGDUEFOV-VIFPVBQESA-N 0 3 344.209 1.966 20 5 EDBDHN COC(=O)[C@@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000280850651 443758593 /nfs/dbraw/zinc/75/85/93/443758593.db2.gz XZOBIJUDANYVRZ-DGCLKSJQSA-N 0 3 338.360 1.723 20 5 EDBDHN C[C@@H](O)CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000276816426 443838391 /nfs/dbraw/zinc/83/83/91/443838391.db2.gz VPMVJRPVDJNYES-VHSXEESVSA-N 0 3 347.209 1.921 20 5 EDBDHN COCCOCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000289014580 444034820 /nfs/dbraw/zinc/03/48/20/444034820.db2.gz NKRMYRHRPPWYAN-UHFFFAOYSA-N 0 3 339.392 1.827 20 5 EDBDHN CN(C)CCOc1cnccc1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000558142461 321011390 /nfs/dbraw/zinc/01/13/90/321011390.db2.gz QMASJHFNHFFLIW-UHFFFAOYSA-N 0 3 347.375 1.199 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285734447 444090345 /nfs/dbraw/zinc/09/03/45/444090345.db2.gz KQCWLYMRHCYDDR-HOTGVXAUSA-N 0 3 348.403 1.328 20 5 EDBDHN CC(C)(C)NC(=O)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570564121 321348062 /nfs/dbraw/zinc/34/80/62/321348062.db2.gz HSADAWPMJFPUAD-ZDUSSCGKSA-N 0 3 339.392 1.229 20 5 EDBDHN CCN(CCO)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289632585 444183743 /nfs/dbraw/zinc/18/37/43/444183743.db2.gz KNVXSGQCGZKEPG-UHFFFAOYSA-N 0 3 330.772 1.684 20 5 EDBDHN COC[C@@]1(C(=O)OC)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000296366348 444223906 /nfs/dbraw/zinc/22/39/06/444223906.db2.gz RFIWTCNRLJXXIJ-MRXNPFEDSA-N 0 3 338.360 1.485 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000297510936 444295144 /nfs/dbraw/zinc/29/51/44/444295144.db2.gz USLKDGVUYORPRF-UHFFFAOYSA-N 0 3 332.364 1.675 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2CCN(C)C)c1 ZINC000297918625 444357362 /nfs/dbraw/zinc/35/73/62/444357362.db2.gz XZTXYHBNXPRFCV-UHFFFAOYSA-N 0 3 333.348 1.614 20 5 EDBDHN COc1cc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1OC ZINC000325304575 444364400 /nfs/dbraw/zinc/36/44/00/444364400.db2.gz VGRVDCVVYYPLTR-NEPJUHHUSA-N 0 3 337.376 1.887 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NCc2c[nH]c3nccnc23)cc1 ZINC000290827402 444327035 /nfs/dbraw/zinc/32/70/35/444327035.db2.gz HODHABNCTDGMCR-DZGCQCFKSA-N 0 3 343.343 1.050 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298067081 444404595 /nfs/dbraw/zinc/40/45/95/444404595.db2.gz JGBHWLUZYHSCTO-CYBMUJFWSA-N 0 3 348.403 1.751 20 5 EDBDHN CC(C)(O)C(C)(C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343709400 444536004 /nfs/dbraw/zinc/53/60/04/444536004.db2.gz KIVDOKXJMKTINY-UHFFFAOYSA-N 0 3 330.406 1.508 20 5 EDBDHN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCN(C)C1 ZINC000342433612 444689988 /nfs/dbraw/zinc/68/99/88/444689988.db2.gz IABYQHOFTXBMBM-JTQLQIEISA-N 0 3 327.331 1.968 20 5 EDBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1)N(C)C ZINC000344259443 444867817 /nfs/dbraw/zinc/86/78/17/444867817.db2.gz COBOITFXXOPBNG-SWLSCSKDSA-N 0 3 346.391 1.302 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000330665295 445087039 /nfs/dbraw/zinc/08/70/39/445087039.db2.gz WRQYEPLKLPQSKQ-HNNXBMFYSA-N 0 3 343.387 1.947 20 5 EDBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000337482120 445099411 /nfs/dbraw/zinc/09/94/11/445099411.db2.gz RBXRFNXKYVVPOC-WDEREUQCSA-N 0 3 340.355 1.376 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[C@@H]1N1CCN(C)CC1 ZINC000343316062 445195699 /nfs/dbraw/zinc/19/56/99/445195699.db2.gz DOLAWWPKAQTIHZ-OCCSQVGLSA-N 0 3 335.408 1.021 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000348144460 445288742 /nfs/dbraw/zinc/28/87/42/445288742.db2.gz AZHJJHOBZAFOLI-OLZOCXBDSA-N 0 3 334.376 1.346 20 5 EDBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000354787565 445388874 /nfs/dbraw/zinc/38/88/74/445388874.db2.gz DEYSQGMTOWIQEG-UHFFFAOYSA-N 0 3 349.366 1.969 20 5 EDBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000354787565 445388877 /nfs/dbraw/zinc/38/88/77/445388877.db2.gz DEYSQGMTOWIQEG-UHFFFAOYSA-N 0 3 349.366 1.969 20 5 EDBDHN Cc1ccc(NCCCNC(=O)CCOC2CNC2)c([N+](=O)[O-])c1 ZINC000349026299 445479274 /nfs/dbraw/zinc/47/92/74/445479274.db2.gz JUDFAIICFGSSQZ-UHFFFAOYSA-N 0 3 336.392 1.200 20 5 EDBDHN O=[N+]([O-])c1cc(CN[C@@H](CO)C2CCOCC2)c2c(c1)COCO2 ZINC000359844771 445457806 /nfs/dbraw/zinc/45/78/06/445457806.db2.gz KURLLCHCJFWOKO-HNNXBMFYSA-N 0 3 338.360 1.338 20 5 EDBDHN Cc1sc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000363103949 445680071 /nfs/dbraw/zinc/68/00/71/445680071.db2.gz LJYQTZCIFSWQSI-MNOVXSKESA-N 0 3 325.390 1.558 20 5 EDBDHN CC[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358707249 445732269 /nfs/dbraw/zinc/73/22/69/445732269.db2.gz ONQHYQCRJWXNCC-GOEBONIOSA-N 0 3 336.392 1.412 20 5 EDBDHN Cn1ccnc1[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000373116433 446040041 /nfs/dbraw/zinc/04/00/41/446040041.db2.gz VYELNXAPUBXXRD-ZDUSSCGKSA-N 0 3 331.376 1.370 20 5 EDBDHN Cc1cc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc([N+](=O)[O-])c1 ZINC000583498964 326085325 /nfs/dbraw/zinc/08/53/25/326085325.db2.gz GJVYAQSBOSQYKX-AWEZNQCLSA-N 0 3 344.375 1.431 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000361935236 446083721 /nfs/dbraw/zinc/08/37/21/446083721.db2.gz BGPUAOHVLFCIQH-QMTHXVAHSA-N 0 3 329.360 1.637 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(n3cccn3)CC2)c1 ZINC000361942603 446093111 /nfs/dbraw/zinc/09/31/11/446093111.db2.gz ICEZQQHQXQERTH-INIZCTEOSA-N 0 3 346.387 1.868 20 5 EDBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000366590915 446272371 /nfs/dbraw/zinc/27/23/71/446272371.db2.gz STFUTYAJYAKAOK-ZDUSSCGKSA-N 0 3 337.351 1.717 20 5 EDBDHN CN1CCC(n2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000365874850 446381966 /nfs/dbraw/zinc/38/19/66/446381966.db2.gz NPEFMNNAXZUUPP-UHFFFAOYSA-N 0 3 343.387 2.239 20 5 EDBDHN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000367045325 446486369 /nfs/dbraw/zinc/48/63/69/446486369.db2.gz KQQLVIBTHIXSRT-WMLDXEAASA-N 0 3 346.431 1.693 20 5 EDBDHN O=C(CCN1CCSC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411424884 446535209 /nfs/dbraw/zinc/53/52/09/446535209.db2.gz LXBBGUBIIVJMMS-ZDUSSCGKSA-N 0 3 325.390 1.333 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000375042316 446537536 /nfs/dbraw/zinc/53/75/36/446537536.db2.gz SBFHQVXFCAQIAP-SWLSCSKDSA-N 0 3 346.387 1.394 20 5 EDBDHN C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000367434328 446546402 /nfs/dbraw/zinc/54/64/02/446546402.db2.gz GPUIWUAHQDSIDB-HIFRSBDPSA-N 0 3 333.436 1.639 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)c1 ZINC000420460637 446639641 /nfs/dbraw/zinc/63/96/41/446639641.db2.gz LHNLXUPMTUIMAP-SECBINFHSA-N 0 3 337.348 1.472 20 5 EDBDHN CN1CC[C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@H]21 ZINC000375233255 446658949 /nfs/dbraw/zinc/65/89/49/446658949.db2.gz JPMHKKIOIUPPBZ-QMTHXVAHSA-N 0 3 329.360 1.774 20 5 EDBDHN COc1ccc(OCCN2CC[C@@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC000411943320 446752808 /nfs/dbraw/zinc/75/28/08/446752808.db2.gz QHLZNWZFLBELGY-GFCCVEGCSA-N 0 3 337.376 1.392 20 5 EDBDHN Cc1cc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000368390887 446833166 /nfs/dbraw/zinc/83/31/66/446833166.db2.gz UGWKQJQDBUNDQE-ZIAGYGMSSA-N 0 3 334.376 1.888 20 5 EDBDHN CNc1nc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454743389 446960221 /nfs/dbraw/zinc/96/02/21/446960221.db2.gz PNZCLKUHEAWQHO-NEPJUHHUSA-N 0 3 335.408 1.882 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](O)CC23CCC3)c1 ZINC000420993678 446972174 /nfs/dbraw/zinc/97/21/74/446972174.db2.gz MCICOTZEJXXLKY-CABCVRRESA-N 0 3 336.388 1.714 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455330099 447109974 /nfs/dbraw/zinc/10/99/74/447109974.db2.gz JVNAQARNYLZDHL-ZDUSSCGKSA-N 0 3 340.355 1.702 20 5 EDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1NCCc2ccccc21 ZINC000375960987 447176040 /nfs/dbraw/zinc/17/60/40/447176040.db2.gz ZKBDAOKUVXOLMK-KRWDZBQOSA-N 0 3 341.367 1.977 20 5 EDBDHN CCCC[C@@H](CN)NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420129441 447621745 /nfs/dbraw/zinc/62/17/45/447621745.db2.gz UXZGLNVCNLXTIC-ZDUSSCGKSA-N 0 3 336.392 1.187 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)C[C@H](O)C1 ZINC000452072703 447810485 /nfs/dbraw/zinc/81/04/85/447810485.db2.gz XOMYURFDEBQHTC-AAEUAGOBSA-N 0 3 337.376 1.635 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000524721292 447944552 /nfs/dbraw/zinc/94/45/52/447944552.db2.gz KRVLMADPVUPGMN-ZDUSSCGKSA-N 0 3 343.387 1.852 20 5 EDBDHN CCN1CCCC[C@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000530940892 447987700 /nfs/dbraw/zinc/98/77/00/447987700.db2.gz CUMGSNQONFWFKB-NSHDSACASA-N 0 3 342.421 1.529 20 5 EDBDHN COC(=O)c1cc(C)nc(NC[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000552976091 447966117 /nfs/dbraw/zinc/96/61/17/447966117.db2.gz GOUXKDYWSODVKN-NSHDSACASA-N 0 3 334.376 1.981 20 5 EDBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000514645194 448177438 /nfs/dbraw/zinc/17/74/38/448177438.db2.gz NLZMOQIQJFDJLO-NWDGAFQWSA-N 0 3 340.405 1.095 20 5 EDBDHN CNc1nccc(C(=O)N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000557623714 448187556 /nfs/dbraw/zinc/18/75/56/448187556.db2.gz FJHYWJWNQBHZBR-UHFFFAOYSA-N 0 3 347.419 2.122 20 5 EDBDHN CN(C)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccccc1 ZINC000558688399 448201690 /nfs/dbraw/zinc/20/16/90/448201690.db2.gz ITDDJJXUUMMOEH-CYBMUJFWSA-N 0 3 329.360 1.605 20 5 EDBDHN COc1ccc(NC(=O)CN2CCNC[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000582486826 448250985 /nfs/dbraw/zinc/25/09/85/448250985.db2.gz STXBORUJGPJRIH-GFCCVEGCSA-N 0 3 344.318 1.081 20 5 EDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000582881799 448365049 /nfs/dbraw/zinc/36/50/49/448365049.db2.gz UMHKZPGJTLJLPL-OAHLLOKOSA-N 0 3 344.371 1.752 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000572455542 448381280 /nfs/dbraw/zinc/38/12/80/448381280.db2.gz DVIXUPYDWQTOQK-CJNGLKHVSA-N 0 3 341.371 1.557 20 5 EDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H](C)S(C)(=O)=O ZINC000537944105 448575287 /nfs/dbraw/zinc/57/52/87/448575287.db2.gz NONCKDDXSXBLCW-QWRGUYRKSA-N 0 3 343.405 1.335 20 5 EDBDHN Cc1cccc2c1OCC[C@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573111794 448547540 /nfs/dbraw/zinc/54/75/40/448547540.db2.gz OMOMNLZOUMXUAZ-DZGCQCFKSA-N 0 3 332.360 1.574 20 5 EDBDHN Cn1ccnc1[C@H]1CNCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000578988696 448687275 /nfs/dbraw/zinc/68/72/75/448687275.db2.gz SLILUXHCQOWISW-DQOPKJQZSA-N 0 3 327.388 1.988 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CC[C@H](O)C2)cc1 ZINC000592431268 448832569 /nfs/dbraw/zinc/83/25/69/448832569.db2.gz ACUOMMLHCVRLBI-YPMHNXCESA-N 0 3 328.390 1.119 20 5 EDBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000592430713 448832846 /nfs/dbraw/zinc/83/28/46/448832846.db2.gz CJDCQYRIVBYFQF-PEXQALLHSA-N 0 3 338.282 1.236 20 5 EDBDHN CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000579854729 448897195 /nfs/dbraw/zinc/89/71/95/448897195.db2.gz JUFBYYHEFKLSPQ-HNNXBMFYSA-N 0 3 337.424 1.103 20 5 EDBDHN CNc1nccc(C(=O)N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000521367229 448974224 /nfs/dbraw/zinc/97/42/24/448974224.db2.gz WFBDFQQKYLKXBY-UHFFFAOYSA-N 0 3 335.408 1.978 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)COc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592898875 449042562 /nfs/dbraw/zinc/04/25/62/449042562.db2.gz MEGMFZYTQTYNLL-UHFFFAOYSA-N 0 3 349.387 1.297 20 5 EDBDHN C[C@H](CO)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000593079918 449125629 /nfs/dbraw/zinc/12/56/29/449125629.db2.gz BBXMQYMDHJUYTR-HIFRSBDPSA-N 0 3 338.404 1.675 20 5 EDBDHN CN(C)C[C@H](CO)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599938636 449117097 /nfs/dbraw/zinc/11/70/97/449117097.db2.gz CNZWDKVUZZBREU-MRVPVSSYSA-N 0 3 346.181 1.010 20 5 EDBDHN C[C@@H]1CCCN(CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603930034 449161322 /nfs/dbraw/zinc/16/13/22/449161322.db2.gz FUBUMFWTALZBBT-LLVKDONJSA-N 0 3 342.421 1.386 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1OC ZINC000590445038 449165552 /nfs/dbraw/zinc/16/55/52/449165552.db2.gz PQJGPLQORINZNY-RISCZKNCSA-N 0 3 349.387 1.778 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000597926340 449144839 /nfs/dbraw/zinc/14/48/39/449144839.db2.gz YXTGBTXATVGRGG-ZDUSSCGKSA-N 0 3 349.387 1.984 20 5 EDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000590546663 449183681 /nfs/dbraw/zinc/18/36/81/449183681.db2.gz LWTRZBCIVDPYNP-KRWDZBQOSA-N 0 3 349.387 1.180 20 5 EDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000590563917 449191230 /nfs/dbraw/zinc/19/12/30/449191230.db2.gz VSFONUWTLODSQX-TZMCWYRMSA-N 0 3 334.376 1.112 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)c2ccccc2O1 ZINC000611236647 449231209 /nfs/dbraw/zinc/23/12/09/449231209.db2.gz MRILCZFHAHROJG-LLVKDONJSA-N 0 3 345.359 1.298 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])c1 ZINC000595906767 449244783 /nfs/dbraw/zinc/24/47/83/449244783.db2.gz NJCWPWWQSKQLGK-MVWJERBFSA-N 0 3 340.355 1.302 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C2CCCCC2)n1 ZINC000600230016 449256187 /nfs/dbraw/zinc/25/61/87/449256187.db2.gz OCRFPEFOEDCYNH-CYBMUJFWSA-N 0 3 335.408 1.948 20 5 EDBDHN CN(C)CCN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1=O ZINC000593486263 449306005 /nfs/dbraw/zinc/30/60/05/449306005.db2.gz SHALNAZPILPUIZ-UHFFFAOYSA-N 0 3 343.387 1.353 20 5 EDBDHN O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1(NC2CC2)CCC1 ZINC000595950154 449276009 /nfs/dbraw/zinc/27/60/09/449276009.db2.gz QRWLXVUZPLXGIO-CYBMUJFWSA-N 0 3 345.403 1.677 20 5 EDBDHN CCN1CCC[C@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596050861 449337537 /nfs/dbraw/zinc/33/75/37/449337537.db2.gz RGXBOBGXGMWVDA-NSHDSACASA-N 0 3 328.394 1.138 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](CN)C(F)(F)F ZINC000596053392 449338519 /nfs/dbraw/zinc/33/85/19/449338519.db2.gz ZIIOOGWZFFINFZ-SNVBAGLBSA-N 0 3 341.311 1.413 20 5 EDBDHN C[C@@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000596155399 449388289 /nfs/dbraw/zinc/38/82/89/449388289.db2.gz JSNSUDUSVQCAPS-MWLCHTKSSA-N 0 3 340.405 1.279 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594325061 449450801 /nfs/dbraw/zinc/45/08/01/449450801.db2.gz AUIOCRJUQFMTIG-CABCVRRESA-N 0 3 346.387 1.666 20 5 EDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598536228 449452241 /nfs/dbraw/zinc/45/22/41/449452241.db2.gz PCQKCLJGJSFDRK-LBPRGKRZSA-N 0 3 336.392 1.638 20 5 EDBDHN CC1(C)CC[C@@H](CO)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598647030 449516181 /nfs/dbraw/zinc/51/61/81/449516181.db2.gz JQURRXWSILVFCG-GJZGRUSLSA-N 0 3 338.404 1.817 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000596588367 449564470 /nfs/dbraw/zinc/56/44/70/449564470.db2.gz PZZQKFVKPWNZGL-LLVKDONJSA-N 0 3 346.391 1.755 20 5 EDBDHN CN1C2(CCC2)COC[C@]1(CO)CNCc1ccc([N+](=O)[O-])cc1 ZINC000598990081 449683162 /nfs/dbraw/zinc/68/31/62/449683162.db2.gz GAULCWAMXYKRAP-QGZVFWFLSA-N 0 3 335.404 1.300 20 5 EDBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000598991670 449684005 /nfs/dbraw/zinc/68/40/05/449684005.db2.gz REPRIMGBSRPFAG-CYBMUJFWSA-N 0 3 339.359 1.401 20 5 EDBDHN CN1CC[C@](O)(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602612768 449704939 /nfs/dbraw/zinc/70/49/39/449704939.db2.gz QOGRUTYUBZJVSD-ZDUSSCGKSA-N 0 3 333.310 1.770 20 5 EDBDHN C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599101800 449733120 /nfs/dbraw/zinc/73/31/20/449733120.db2.gz BXISBFGRHFLUSB-WCBMZHEXSA-N 0 3 333.797 1.667 20 5 EDBDHN Cc1cc(NCCN2CC[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599175952 449780476 /nfs/dbraw/zinc/78/04/76/449780476.db2.gz KVTCNLBGKPMUAB-OAHLLOKOSA-N 0 3 343.387 1.261 20 5 EDBDHN COCC(C)(C)N1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602844647 449851489 /nfs/dbraw/zinc/85/14/89/449851489.db2.gz FLGGKGLEYQRJDU-UHFFFAOYSA-N 0 3 325.413 1.142 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000601420254 449936882 /nfs/dbraw/zinc/93/68/82/449936882.db2.gz CPZVWPWFJMOLHI-OLZOCXBDSA-N 0 3 341.433 1.925 20 5 EDBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000601421314 449938062 /nfs/dbraw/zinc/93/80/62/449938062.db2.gz DYMRZFIRTXIBDS-MWLCHTKSSA-N 0 3 347.824 1.961 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCCCN(C)C2)cc1[N+](=O)[O-] ZINC000599411629 449956691 /nfs/dbraw/zinc/95/66/91/449956691.db2.gz AWOWYTCNLKYZAE-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN COc1cc(C(=O)NC[C@H](C)N2CCCC2)cc([N+](=O)[O-])c1OC ZINC000610196787 450151110 /nfs/dbraw/zinc/15/11/10/450151110.db2.gz IPWMWPUMVXGDGR-NSHDSACASA-N 0 3 337.376 1.826 20 5 EDBDHN Cc1noc([C@@H]2OCC[C@@H]2NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000599685455 450152603 /nfs/dbraw/zinc/15/26/03/450152603.db2.gz PRSXWXJMQZXIIB-UONOGXRCSA-N 0 3 334.332 1.785 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1 ZINC000610240547 450157575 /nfs/dbraw/zinc/15/75/75/450157575.db2.gz SBZOWWYEBFYPKP-HNNXBMFYSA-N 0 3 346.431 1.755 20 5 EDBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597654894 450172830 /nfs/dbraw/zinc/17/28/30/450172830.db2.gz VEOKCLYTUOWLLC-VIFPVBQESA-N 0 3 335.282 1.266 20 5 EDBDHN COCC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000595501629 450189187 /nfs/dbraw/zinc/18/91/87/450189187.db2.gz UWDTVQGFFPARFS-UHFFFAOYSA-N 0 3 337.376 1.627 20 5 EDBDHN O=C([C@H](C1CC1)N1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618869089 450325113 /nfs/dbraw/zinc/32/51/13/450325113.db2.gz QCORPMDURYBRGY-INIZCTEOSA-N 0 3 347.419 1.829 20 5 EDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000153075963 534885676 /nfs/dbraw/zinc/88/56/76/534885676.db2.gz QSABYQCXWKYXKL-HNNXBMFYSA-N 0 3 339.417 1.595 20 5 EDBDHN CCN1CCN(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000174534480 529141124 /nfs/dbraw/zinc/14/11/24/529141124.db2.gz TUUCYDHYTPIDRB-UHFFFAOYSA-N 0 3 332.404 1.512 20 5 EDBDHN CCC[C@@](C)(N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262718179 535524166 /nfs/dbraw/zinc/52/41/66/535524166.db2.gz XFWASVBKWQVWJQ-QGZVFWFLSA-N 0 3 348.403 1.397 20 5 EDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000346726682 535861226 /nfs/dbraw/zinc/86/12/26/535861226.db2.gz ISJCXNLWMGGLPU-LLVKDONJSA-N 0 3 327.406 1.839 20 5 EDBDHN COC(=O)c1cc(C(=O)N2CCC[C@@H]2CN(C)C)cc([N+](=O)[O-])c1 ZINC000263908093 536868574 /nfs/dbraw/zinc/86/85/74/536868574.db2.gz ICMKYOKAICJTGB-CYBMUJFWSA-N 0 3 335.360 1.548 20 5 EDBDHN COc1ccc(CC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000727675785 578537080 /nfs/dbraw/zinc/53/70/80/578537080.db2.gz SHMFERNJYFBPEL-KGLIPLIRSA-N 0 3 349.387 1.125 20 5 EDBDHN CCCCN(C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732771547 578727170 /nfs/dbraw/zinc/72/71/70/578727170.db2.gz JFVAWPTXXYBXBI-UHFFFAOYSA-N 0 3 333.392 1.793 20 5 EDBDHN CC(C)(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000739708038 579239312 /nfs/dbraw/zinc/23/93/12/579239312.db2.gz CRWAPWRZWGFVER-JKSUJKDBSA-N 0 3 347.415 1.852 20 5 EDBDHN Cc1nn(CN2CCN(C3CCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749952552 579744824 /nfs/dbraw/zinc/74/48/24/579744824.db2.gz IDOJWIZRQDTVIM-UHFFFAOYSA-N 0 3 330.392 1.776 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000762966437 580088852 /nfs/dbraw/zinc/08/88/52/580088852.db2.gz GHRKERJRBAMDCO-RYUDHWBXSA-N 0 3 344.371 1.669 20 5 EDBDHN CCCN(CCN(C)C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781682516 580554648 /nfs/dbraw/zinc/55/46/48/580554648.db2.gz RGEXMBGEWZJIEM-MRXNPFEDSA-N 0 3 348.403 1.888 20 5 EDBDHN CN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@@H]1CCN(C2CC2)C1 ZINC000794629565 580900590 /nfs/dbraw/zinc/90/05/90/580900590.db2.gz XCAYVKMNCVNDHI-GFCCVEGCSA-N 0 3 332.360 1.629 20 5 EDBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796375437 580952468 /nfs/dbraw/zinc/95/24/68/580952468.db2.gz JBOGGBGCFIDAOF-XOKHGSTOSA-N 0 3 335.404 1.423 20 5 EDBDHN CN1CC[C@](O)(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC000893187502 590701642 /nfs/dbraw/zinc/70/16/42/590701642.db2.gz RKRZYLXMTXEFLZ-HNNXBMFYSA-N 0 3 336.779 1.697 20 5 EDBDHN CN1CC[C@@](O)(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC000893187606 590701754 /nfs/dbraw/zinc/70/17/54/590701754.db2.gz RKRZYLXMTXEFLZ-OAHLLOKOSA-N 0 3 336.779 1.697 20 5 EDBDHN C[C@]1(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CN2CCC1CC2 ZINC000892784349 591175530 /nfs/dbraw/zinc/17/55/30/591175530.db2.gz HWWLSWGKZYLNSQ-INIZCTEOSA-N 0 3 337.351 1.713 20 5 EDBDHN O=[N+]([O-])c1c2nonc2ccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000892837867 591200719 /nfs/dbraw/zinc/20/07/19/591200719.db2.gz HUJFZBYXZLSYCE-LLVKDONJSA-N 0 3 333.348 1.290 20 5 EDBDHN COC(=O)[C@@H]1OCC[C@@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895831007 591284119 /nfs/dbraw/zinc/28/41/19/591284119.db2.gz PEQIKONGVQJKFB-ZWNOBZJWSA-N 0 3 328.752 1.916 20 5 EDBDHN CNC(=O)c1ccc(NC[C@@H]2CCN2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896517452 591488713 /nfs/dbraw/zinc/48/87/13/591488713.db2.gz GBFLOAKSHHXYHQ-AWEZNQCLSA-N 0 3 348.403 1.620 20 5 EDBDHN CN1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000841010877 591539344 /nfs/dbraw/zinc/53/93/44/591539344.db2.gz JWPFEASQEMCNIC-JTQLQIEISA-N 0 3 327.772 1.355 20 5 EDBDHN COc1ccc(N2C(=O)C3CC(F)(F)CN3C2=O)cc1[N+](=O)[O-] ZINC000905441809 592535117 /nfs/dbraw/zinc/53/51/17/592535117.db2.gz AQWYLBCUDDEWAV-VIFPVBQESA-N 0 3 327.243 1.780 20 5 EDBDHN CN1CC[C@@H]2CN(CN3C(=O)C[C@@H]3Oc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000840130147 593228215 /nfs/dbraw/zinc/22/82/15/593228215.db2.gz LEHDEPNREUENKR-PVUWLOKVSA-N 0 3 346.387 1.125 20 5 EDBDHN COCCc1nnc(-c2cccc(C(=O)OCC(C)[N+](=O)[O-])c2)o1 ZINC000813107074 593518026 /nfs/dbraw/zinc/51/80/26/593518026.db2.gz LQVNJZKNLYCBIS-JTQLQIEISA-N 0 3 335.316 1.748 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000816953695 593563351 /nfs/dbraw/zinc/56/33/51/593563351.db2.gz MFIITCGFQONNMJ-BONVTDFDSA-N 0 3 336.367 1.576 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000818944428 593729270 /nfs/dbraw/zinc/72/92/70/593729270.db2.gz NOSKNWGSLGGOGH-UHFFFAOYSA-N 0 3 339.302 1.883 20 5 EDBDHN CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820752143 593881472 /nfs/dbraw/zinc/88/14/72/593881472.db2.gz KXIZUDGOWWDNKA-IINYFYTJSA-N 0 3 331.380 1.916 20 5 EDBDHN CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820752143 593881473 /nfs/dbraw/zinc/88/14/73/593881473.db2.gz KXIZUDGOWWDNKA-IINYFYTJSA-N 0 3 331.380 1.916 20 5 EDBDHN CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820752143 593881474 /nfs/dbraw/zinc/88/14/74/593881474.db2.gz KXIZUDGOWWDNKA-IINYFYTJSA-N 0 3 331.380 1.916 20 5 EDBDHN CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820752143 593881475 /nfs/dbraw/zinc/88/14/75/593881475.db2.gz KXIZUDGOWWDNKA-IINYFYTJSA-N 0 3 331.380 1.916 20 5 EDBDHN C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820753062 593882062 /nfs/dbraw/zinc/88/20/62/593882062.db2.gz VXGNJKYPQJRFOD-MFKMUULPSA-N 0 3 331.380 1.551 20 5 EDBDHN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820753062 593882063 /nfs/dbraw/zinc/88/20/63/593882063.db2.gz VXGNJKYPQJRFOD-MFKMUULPSA-N 0 3 331.380 1.551 20 5 EDBDHN C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820753062 593882064 /nfs/dbraw/zinc/88/20/64/593882064.db2.gz VXGNJKYPQJRFOD-MFKMUULPSA-N 0 3 331.380 1.551 20 5 EDBDHN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820753062 593882065 /nfs/dbraw/zinc/88/20/65/593882065.db2.gz VXGNJKYPQJRFOD-MFKMUULPSA-N 0 3 331.380 1.551 20 5 EDBDHN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000823949804 593893107 /nfs/dbraw/zinc/89/31/07/593893107.db2.gz VKLVPXAUXCSMMR-INIZCTEOSA-N 0 3 342.355 1.372 20 5 EDBDHN C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000825079208 594127073 /nfs/dbraw/zinc/12/70/73/594127073.db2.gz NXTCSHLSBLSCGK-WWGRRREGSA-N 0 3 335.404 1.865 20 5 EDBDHN CCN(CC)CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000825256067 594156312 /nfs/dbraw/zinc/15/63/12/594156312.db2.gz WTAJWWWSRDTTDU-UHFFFAOYSA-N 0 3 337.376 1.518 20 5 EDBDHN CCO[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000831713390 594695195 /nfs/dbraw/zinc/69/51/95/594695195.db2.gz LOJNLKZTFHLFOG-OWCLPIDISA-N 0 3 335.404 1.781 20 5 EDBDHN CCO[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])CN(C)C ZINC000831777222 594702153 /nfs/dbraw/zinc/70/21/53/594702153.db2.gz UAMCNXIIIFWNJK-LBPRGKRZSA-N 0 3 325.365 1.057 20 5 EDBDHN CCO[C@@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)CN(C)C ZINC000831777416 594702287 /nfs/dbraw/zinc/70/22/87/594702287.db2.gz YWKJRSBYXNDYQY-LBPRGKRZSA-N 0 3 325.365 1.300 20 5 EDBDHN CCO[C@@H]1COC[C@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832455542 594751622 /nfs/dbraw/zinc/75/16/22/594751622.db2.gz KYXWXWOAEDNAPQ-ZIAGYGMSSA-N 0 3 341.339 1.456 20 5 EDBDHN C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000833426864 594846410 /nfs/dbraw/zinc/84/64/10/594846410.db2.gz RNZFHSFXYDMLLW-GUYCJALGSA-N 0 3 347.415 1.961 20 5 EDBDHN COc1cc(Cc2noc(C3(CN)CC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843226069 595044045 /nfs/dbraw/zinc/04/40/45/595044045.db2.gz ULQAEHRBTWPIEO-UHFFFAOYSA-N 0 3 334.332 1.576 20 5 EDBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN[C@@H](C)C1 ZINC000842473443 595113610 /nfs/dbraw/zinc/11/36/10/595113610.db2.gz JTAALXWTTAAGJW-UWVGGRQHSA-N 0 3 326.784 1.869 20 5 EDBDHN C[C@@H]1CC[NH2+]C[C@H]1[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766868 595600685 /nfs/dbraw/zinc/60/06/85/595600685.db2.gz WSHOGLABVKOVAQ-BXKDBHETSA-N 0 3 329.303 1.681 20 5 EDBDHN CN([C@@H](CN)C(F)(F)F)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000853080676 595658307 /nfs/dbraw/zinc/65/83/07/595658307.db2.gz CDAGOILCVFJMLP-QMMMGPOBSA-N 0 3 345.274 1.244 20 5 EDBDHN CCCN1CC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000856073950 595888986 /nfs/dbraw/zinc/88/89/86/595888986.db2.gz YLUHVIVPJINHFL-JTQLQIEISA-N 0 3 335.389 1.814 20 5 EDBDHN O=C(NC[C@H]1CCN1C1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863031524 596490800 /nfs/dbraw/zinc/49/08/00/596490800.db2.gz HRHMMQDSEOKBRW-HZPDHXFCSA-N 0 3 333.388 1.761 20 5 EDBDHN COCCNC(=O)C1(N[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866373486 596868651 /nfs/dbraw/zinc/86/86/51/596868651.db2.gz NZYDKZXDEOMYCL-NSHDSACASA-N 0 3 339.367 1.550 20 5 EDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(=O)(=O)C1CC1 ZINC000866376766 596869375 /nfs/dbraw/zinc/86/93/75/596869375.db2.gz YMFSFMYFPFMQRT-SNVBAGLBSA-N 0 3 330.381 1.832 20 5 EDBDHN COc1ccc([C@@H]2CN(CCn3c(C)ncc3[N+](=O)[O-])CCN2)cc1 ZINC000879523195 597616771 /nfs/dbraw/zinc/61/67/71/597616771.db2.gz VHFVATMIUBINKS-INIZCTEOSA-N 0 3 345.403 1.755 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000880741658 598001230 /nfs/dbraw/zinc/00/12/30/598001230.db2.gz MNLHFLVXOUBKLG-GFCCVEGCSA-N 0 3 349.387 1.970 20 5 EDBDHN CN(CCNc1cc(Cl)c(F)cc1[N+](=O)[O-])CCOCCO ZINC000882950961 598113853 /nfs/dbraw/zinc/11/38/53/598113853.db2.gz IAUYQFJQGHNZAD-UHFFFAOYSA-N 0 3 335.763 1.740 20 5 EDBDHN CC(C)[C@@H]1CN(C)CCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000153629560 695938335 /nfs/dbraw/zinc/93/83/35/695938335.db2.gz PIYYHUPOGLSPDI-HNNXBMFYSA-N 0 3 346.387 1.420 20 5 EDBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000917067972 696907600 /nfs/dbraw/zinc/90/76/00/696907600.db2.gz GFINKMNUPLNGRU-NSHDSACASA-N 0 3 334.380 1.569 20 5 EDBDHN CCC1(C(=O)N2CCC(C)(NCc3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000940302261 700485290 /nfs/dbraw/zinc/48/52/90/700485290.db2.gz CYWFQWRSTYFXAA-UHFFFAOYSA-N 0 3 349.435 1.989 20 5 EDBDHN O=C(Cc1cnc[nH]1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000997042661 703292321 /nfs/dbraw/zinc/29/23/21/703292321.db2.gz SIHDZVKKPINBOD-UHFFFAOYSA-N 0 3 349.416 1.703 20 5 EDBDHN CCc1n[nH]c(C(=O)NCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000171677663 529467257 /nfs/dbraw/zinc/46/72/57/529467257.db2.gz RPNPTXKOVWFJJU-UHFFFAOYSA-N 0 3 331.376 1.742 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000186770777 529902668 /nfs/dbraw/zinc/90/26/68/529902668.db2.gz MVWRPLNWXAPEOX-UHFFFAOYSA-N 0 3 344.375 1.342 20 5 EDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103150915 219262998 /nfs/dbraw/zinc/26/29/98/219262998.db2.gz BDWDQUUDWARESE-OAHLLOKOSA-N 0 3 346.431 1.896 20 5 EDBDHN Cc1c(NC(=O)C(=O)NCCN2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000041664483 138103512 /nfs/dbraw/zinc/10/35/12/138103512.db2.gz HULVGWRABSNGRH-GFCCVEGCSA-N 0 3 348.403 1.832 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCC(Cn3cncn3)CC2)cc1 ZINC000186246081 235856348 /nfs/dbraw/zinc/85/63/48/235856348.db2.gz IWUFVQYAQBSPEP-UHFFFAOYSA-N 0 3 331.376 1.977 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC2(CO)CC2)cc1 ZINC000566855645 306430809 /nfs/dbraw/zinc/43/08/09/306430809.db2.gz KJEHWFPPMAHSRN-UHFFFAOYSA-N 0 3 328.390 1.121 20 5 EDBDHN CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2cnccc21 ZINC000195345142 139015266 /nfs/dbraw/zinc/01/52/66/139015266.db2.gz XFHZAARBHFIXNV-UHFFFAOYSA-N 0 3 334.357 1.635 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000110355139 220033103 /nfs/dbraw/zinc/03/31/03/220033103.db2.gz PZJNUSHYKAGUQG-CYBMUJFWSA-N 0 3 345.403 1.736 20 5 EDBDHN CN(C)CCOc1ccccc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000567293600 306445900 /nfs/dbraw/zinc/44/59/00/306445900.db2.gz HOXOEDPWEABTKK-UHFFFAOYSA-N 0 3 333.348 1.188 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000078760495 217115107 /nfs/dbraw/zinc/11/51/07/217115107.db2.gz ZNVHYGJCFTZXIA-LBPRGKRZSA-N 0 3 327.406 1.618 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC([NH3+])CC1 ZINC000237191000 139043498 /nfs/dbraw/zinc/04/34/98/139043498.db2.gz PPEACYASVXHRRT-UHFFFAOYSA-N 0 3 329.378 1.152 20 5 EDBDHN COc1ccc(C(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000237130153 139041605 /nfs/dbraw/zinc/04/16/05/139041605.db2.gz PPRUVAFYZDEQBY-UHFFFAOYSA-N 0 3 344.371 1.908 20 5 EDBDHN COC[C@@](C)(CCO)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000079921474 217263858 /nfs/dbraw/zinc/26/38/58/217263858.db2.gz UGDFYHPSMIRDET-MRXNPFEDSA-N 0 3 339.392 1.609 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3nccs3)C2)c1 ZINC000246986381 139129738 /nfs/dbraw/zinc/12/97/38/139129738.db2.gz MYIRQWOHLNXPNJ-WCQYABFASA-N 0 3 337.405 1.488 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCOc3c(F)cccc32)c1 ZINC000569111987 306496860 /nfs/dbraw/zinc/49/68/60/306496860.db2.gz HQIHEZLMGWEGRE-FZMZJTMJSA-N 0 3 336.323 1.405 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000415499154 250974335 /nfs/dbraw/zinc/97/43/35/250974335.db2.gz JNYQPOOAYJDTCJ-CABZTGNLSA-N 0 3 338.364 1.838 20 5 EDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262311405 139269052 /nfs/dbraw/zinc/26/90/52/139269052.db2.gz CXHTVCUFTPWUEN-NWDGAFQWSA-N 0 3 329.360 1.603 20 5 EDBDHN CCCCN(C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000112363908 220314382 /nfs/dbraw/zinc/31/43/82/220314382.db2.gz UCFAPTOTHNXTJY-UHFFFAOYSA-N 0 3 329.422 1.913 20 5 EDBDHN CCN(C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118109077 221120025 /nfs/dbraw/zinc/12/00/25/221120025.db2.gz SCUDETLJRNJGTE-UHFFFAOYSA-N 0 3 328.756 1.255 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@](C)(O)CN1CCOCC1 ZINC000344857089 533409292 /nfs/dbraw/zinc/40/92/92/533409292.db2.gz LMLZKAJMGQBQLL-SPQRHKFCSA-N 0 3 349.431 1.671 20 5 EDBDHN CS[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270386207 140090583 /nfs/dbraw/zinc/09/05/83/140090583.db2.gz RBXLVZWEBYVBAV-IUCAKERBSA-N 0 3 327.435 1.786 20 5 EDBDHN COCCN(CCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270587167 140128969 /nfs/dbraw/zinc/12/89/69/140128969.db2.gz SECIJCCSMPBCNX-UHFFFAOYSA-N 0 3 345.399 1.948 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)n1 ZINC000270812419 140174125 /nfs/dbraw/zinc/17/41/25/140174125.db2.gz PSXWTFXTCQUJGK-UHFFFAOYSA-N 0 3 347.375 1.658 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332093972 141121839 /nfs/dbraw/zinc/12/18/39/141121839.db2.gz BFHDXCFWRPVPTN-RBSFLKMASA-N 0 3 346.387 1.204 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000332470489 141187254 /nfs/dbraw/zinc/18/72/54/141187254.db2.gz JWWNZKGFHVFKJC-DGCLKSJQSA-N 0 3 349.387 1.507 20 5 EDBDHN CC[C@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(C)(C)O ZINC000339540240 142071104 /nfs/dbraw/zinc/07/11/04/142071104.db2.gz OSIWRGWRFFYUAE-AWEZNQCLSA-N 0 3 340.376 1.786 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1-c1nc(CC2=N[C@@H]3CCCC[C@@H]3N2)no1 ZINC000346939343 143263945 /nfs/dbraw/zinc/26/39/45/143263945.db2.gz NGKZNQNDQRQGQJ-DTORHVGOSA-N 0 3 331.336 1.234 20 5 EDBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000347050696 143276607 /nfs/dbraw/zinc/27/66/07/143276607.db2.gz RCGYNYHWZXYNAH-UXIGCNINSA-N 0 3 338.360 1.218 20 5 EDBDHN C[C@@H](N[C@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369880424 155216033 /nfs/dbraw/zinc/21/60/33/155216033.db2.gz ALXWUOXTRVJQCD-WBVHZDCISA-N 0 3 348.447 1.652 20 5 EDBDHN Cc1nn(C)c(C(=O)Nc2cccc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000352801026 149169784 /nfs/dbraw/zinc/16/97/84/149169784.db2.gz JEVHKPVBXUYPGY-UHFFFAOYSA-N 0 3 347.375 1.829 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)[C@H]2C1 ZINC000355358563 150231719 /nfs/dbraw/zinc/23/17/19/150231719.db2.gz BMKIWUSWPKVFEG-HOTGVXAUSA-N 0 3 333.388 1.838 20 5 EDBDHN C[C@@]1([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)NC(=O)NC1=O ZINC000360403412 152023456 /nfs/dbraw/zinc/02/34/56/152023456.db2.gz XIBBZCFDICCCIS-WBMJQRKESA-N 0 3 332.360 1.405 20 5 EDBDHN C[C@]1([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)NC(=O)NC1=O ZINC000360403411 152024124 /nfs/dbraw/zinc/02/41/24/152024124.db2.gz XIBBZCFDICCCIS-MLGOLLRUSA-N 0 3 332.360 1.405 20 5 EDBDHN CNc1c(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000360940202 152259104 /nfs/dbraw/zinc/25/91/04/152259104.db2.gz CNIQKRZFWORZEV-CHWSQXEVSA-N 0 3 338.433 1.754 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2Cn2cncn2)c1 ZINC000363827652 153068297 /nfs/dbraw/zinc/06/82/97/153068297.db2.gz XECIWNOJYZOBER-HUUCEWRRSA-N 0 3 347.375 1.091 20 5 EDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000364465863 153244939 /nfs/dbraw/zinc/24/49/39/153244939.db2.gz CZCKNIAMBRAKFW-KBPBESRZSA-N 0 3 348.403 1.254 20 5 EDBDHN C[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000574271636 306646313 /nfs/dbraw/zinc/64/63/13/306646313.db2.gz WFEUZMHYQBNVTJ-MNOVXSKESA-N 0 3 330.431 1.852 20 5 EDBDHN O=C(CCN1CC[C@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000372363314 156352929 /nfs/dbraw/zinc/35/29/29/156352929.db2.gz CBMTZGQEWQUIDJ-AWEZNQCLSA-N 0 3 330.348 1.462 20 5 EDBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1C2CCC1CC(O)C2 ZINC000408193950 158294187 /nfs/dbraw/zinc/29/41/87/158294187.db2.gz UXAFIDYRAWSLDP-UWVGGRQHSA-N 0 3 343.339 1.977 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000408462489 158368397 /nfs/dbraw/zinc/36/83/97/158368397.db2.gz DJEXKALGLJZPQA-PBHICJAKSA-N 0 3 344.415 1.971 20 5 EDBDHN CN1CCN(CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087103512 287318443 /nfs/dbraw/zinc/31/84/43/287318443.db2.gz XDQMENKDIUBFDL-UHFFFAOYSA-N 0 3 348.447 1.671 20 5 EDBDHN CN(C)[C@@H](CNC(=O)Cn1cccc([N+](=O)[O-])c1=O)c1ccccc1 ZINC000171415020 227067306 /nfs/dbraw/zinc/06/73/06/227067306.db2.gz DLSVDAQIZXGWTE-HNNXBMFYSA-N 0 3 344.371 1.176 20 5 EDBDHN Cc1nc(N[C@@H](CC(C)C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000129484082 287475288 /nfs/dbraw/zinc/47/52/88/287475288.db2.gz MLFJWQPJLBRHED-ZDUSSCGKSA-N 0 3 337.424 1.803 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCSC2)cc1 ZINC000273442520 273040257 /nfs/dbraw/zinc/04/02/57/273040257.db2.gz NBPWLHNLNNMWFN-LLVKDONJSA-N 0 3 330.431 1.854 20 5 EDBDHN Cc1c(NC(=O)C(=O)NCC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000275905098 273133073 /nfs/dbraw/zinc/13/30/73/273133073.db2.gz USILGOJVWOYYKK-UHFFFAOYSA-N 0 3 334.376 1.442 20 5 EDBDHN COc1cc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])cc1[O-] ZINC000279669075 273316168 /nfs/dbraw/zinc/31/61/68/273316168.db2.gz HKYUNSZNLPNVHD-LBPRGKRZSA-N 0 3 337.376 1.657 20 5 EDBDHN CO[C@@H]1C[C@@H](CO)N(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000284523900 274233167 /nfs/dbraw/zinc/23/31/67/274233167.db2.gz GAGVIYBGEUALBF-QWHCGFSZSA-N 0 3 337.376 1.313 20 5 EDBDHN O=C1C[C@H]([C@@H]2CCCCN2CCOc2ccccc2[N+](=O)[O-])CN1 ZINC000363147421 275020738 /nfs/dbraw/zinc/02/07/38/275020738.db2.gz UCJFYWXUKPZTEJ-KBPBESRZSA-N 0 3 333.388 1.964 20 5 EDBDHN COc1cc(CCNC(=O)/C=C\CN(C)C)c([N+](=O)[O-])cc1OC ZINC000491890726 277375825 /nfs/dbraw/zinc/37/58/25/277375825.db2.gz HVZXPGOPUNVGCF-WAYWQWQTSA-N 0 3 337.376 1.389 20 5 EDBDHN C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000367434330 279882012 /nfs/dbraw/zinc/88/20/12/279882012.db2.gz GPUIWUAHQDSIDB-ZFWWWQNUSA-N 0 3 333.436 1.639 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000290668481 288933915 /nfs/dbraw/zinc/93/39/15/288933915.db2.gz CYYDDZDMNZESHC-XHDPSFHLSA-N 0 3 348.403 1.504 20 5 EDBDHN CN(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1O ZINC000292363178 289326237 /nfs/dbraw/zinc/32/62/37/289326237.db2.gz OVVVMWKYYZLTTK-RYUDHWBXSA-N 0 3 330.182 1.468 20 5 EDBDHN Cc1c(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000419762738 304681946 /nfs/dbraw/zinc/68/19/46/304681946.db2.gz SRHXJOXGOZYVRK-ABAIWWIYSA-N 0 3 348.403 1.105 20 5 EDBDHN C[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000295041183 303166131 /nfs/dbraw/zinc/16/61/31/303166131.db2.gz SCHQDBXYIZKWHS-DOMZBBRYSA-N 0 3 333.388 1.966 20 5 EDBDHN COC[C@@]1(C(=O)OC)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295142931 303179090 /nfs/dbraw/zinc/17/90/90/303179090.db2.gz LFXIZBSPHUPCJE-GDBMZVCRSA-N 0 3 338.360 1.140 20 5 EDBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295480585 303225120 /nfs/dbraw/zinc/22/51/20/303225120.db2.gz YQYGUJGXKHXBIJ-ZETCQYMHSA-N 0 3 333.753 1.156 20 5 EDBDHN Cc1nn(C)c(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000377736780 447328912 /nfs/dbraw/zinc/32/89/12/447328912.db2.gz CKGUMMLQKKYDEJ-IACUBPJLSA-N 0 3 337.424 1.938 20 5 EDBDHN CN(C)[C@H]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000428679925 305014407 /nfs/dbraw/zinc/01/44/07/305014407.db2.gz LZPSFIFJSZSUAZ-LBPRGKRZSA-N 0 3 341.433 1.919 20 5 EDBDHN O=C(CN[C@@H]1Cc2cccc(O)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000429237726 305026211 /nfs/dbraw/zinc/02/62/11/305026211.db2.gz OOZPYWCUFLVEGA-GFCCVEGCSA-N 0 3 327.340 1.996 20 5 EDBDHN Cc1cc(NCC(=O)NCCN2CCCCCC2)ncc1[N+](=O)[O-] ZINC000431490747 305078124 /nfs/dbraw/zinc/07/81/24/305078124.db2.gz NIVBUUSFTGPBIU-UHFFFAOYSA-N 0 3 335.408 1.702 20 5 EDBDHN COc1cc(CNC[C@]2(O)CCO[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000433203515 305103018 /nfs/dbraw/zinc/10/30/18/305103018.db2.gz CBAOXMMKMARGLV-ZUZCIYMTSA-N 0 3 326.349 1.242 20 5 EDBDHN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000434788448 305130371 /nfs/dbraw/zinc/13/03/71/305130371.db2.gz WOZVOPBHKCBCFW-HUUCEWRRSA-N 0 3 337.376 1.707 20 5 EDBDHN C[C@H]1CCCN1C(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440491697 305207926 /nfs/dbraw/zinc/20/79/26/305207926.db2.gz RQBXSVUKJPDXBY-UONOGXRCSA-N 0 3 347.419 1.877 20 5 EDBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000440514680 305208878 /nfs/dbraw/zinc/20/88/78/305208878.db2.gz LYFSPOLGPLYSBS-KRWDZBQOSA-N 0 3 345.355 1.555 20 5 EDBDHN CCN(CC)S(=O)(=O)CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449139711 305307618 /nfs/dbraw/zinc/30/76/18/305307618.db2.gz BBFDHNOOJJBCBG-CYBMUJFWSA-N 0 3 343.449 1.787 20 5 EDBDHN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCN1 ZINC000450080402 305324051 /nfs/dbraw/zinc/32/40/51/305324051.db2.gz CLLZSBQOVVWCMP-UHFFFAOYSA-N 0 3 329.360 1.809 20 5 EDBDHN C[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451404455 305343942 /nfs/dbraw/zinc/34/39/42/305343942.db2.gz GKXLRLKGCYKUTQ-CKYFFXLPSA-N 0 3 336.314 1.815 20 5 EDBDHN NC(=O)c1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451409766 305344356 /nfs/dbraw/zinc/34/43/56/305344356.db2.gz BAKJDKPONAAIRU-FMKPAKJESA-N 0 3 333.388 1.819 20 5 EDBDHN CC(C)(CN1CCCC1)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000452096110 305382428 /nfs/dbraw/zinc/38/24/28/305382428.db2.gz MQASISIJSNMKLG-UHFFFAOYSA-N 0 3 346.431 1.948 20 5 EDBDHN O=C(NC[C@@H]1CCCCN1CCO)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000452388799 305396924 /nfs/dbraw/zinc/39/69/24/305396924.db2.gz KNYVNXYXIQZMIN-ZDUSSCGKSA-N 0 3 346.387 1.653 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOCCN(C)C ZINC000471649052 305537838 /nfs/dbraw/zinc/53/78/38/305537838.db2.gz XJINKUBNRNLVDU-UHFFFAOYSA-N 0 3 345.421 1.014 20 5 EDBDHN CCCCn1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)n1 ZINC000516761400 305741178 /nfs/dbraw/zinc/74/11/78/305741178.db2.gz CYKOWTMDNQAXGK-HNNXBMFYSA-N 0 3 336.396 1.247 20 5 EDBDHN CN1CCNC[C@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414963478 447375751 /nfs/dbraw/zinc/37/57/51/447375751.db2.gz KWBNCEVHKZMPIT-ZDUSSCGKSA-N 0 3 330.388 1.848 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccncc2)CC1 ZINC000008121708 441083116 /nfs/dbraw/zinc/08/31/16/441083116.db2.gz DPDYEJUVAOWEOL-UHFFFAOYSA-N 0 3 326.356 1.881 20 5 EDBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(C2CC2)CC1 ZINC000014327098 441183172 /nfs/dbraw/zinc/18/31/72/441183172.db2.gz YUZLJAJCTGBXNL-UHFFFAOYSA-N 0 3 340.405 1.281 20 5 EDBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000063850611 441357831 /nfs/dbraw/zinc/35/78/31/441357831.db2.gz LQOOZRKAWGNMQF-LBPRGKRZSA-N 0 3 327.406 1.605 20 5 EDBDHN NC(=O)c1ccc(CNC2(CO)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000074326776 441422045 /nfs/dbraw/zinc/42/20/45/441422045.db2.gz JPMYEZQUCOLDCI-UHFFFAOYSA-N 0 3 341.367 1.313 20 5 EDBDHN Cc1n[nH]c(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000085456760 441442754 /nfs/dbraw/zinc/44/27/54/441442754.db2.gz FDTFPEDAVQCMCB-QWRGUYRKSA-N 0 3 339.396 1.246 20 5 EDBDHN COc1cc(OCC(=O)NC[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000108344734 441447853 /nfs/dbraw/zinc/44/78/53/441447853.db2.gz RPLNPIYPKVDMTR-GFCCVEGCSA-N 0 3 337.376 1.440 20 5 EDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032435811 441556879 /nfs/dbraw/zinc/55/68/79/441556879.db2.gz GXYVJIKYMSMXSK-LLVKDONJSA-N 0 3 345.421 1.612 20 5 EDBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000054222978 441564417 /nfs/dbraw/zinc/56/44/17/441564417.db2.gz TVRSTESJGZUJTM-HIFRSBDPSA-N 0 3 343.387 1.743 20 5 EDBDHN Cc1nc(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)n[nH]1 ZINC000090552165 441633999 /nfs/dbraw/zinc/63/39/99/441633999.db2.gz DWMVXCIWLTXACF-UHFFFAOYSA-N 0 3 332.364 1.063 20 5 EDBDHN Cc1n[nH]c(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000090552165 441634003 /nfs/dbraw/zinc/63/40/03/441634003.db2.gz DWMVXCIWLTXACF-UHFFFAOYSA-N 0 3 332.364 1.063 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCC1 ZINC000067429152 441639350 /nfs/dbraw/zinc/63/93/50/441639350.db2.gz SIFXMPIWKGQFKL-UHFFFAOYSA-N 0 3 341.433 1.921 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000043146190 441822622 /nfs/dbraw/zinc/82/26/22/441822622.db2.gz VMJYAEYJFHCHCR-ZDUSSCGKSA-N 0 3 335.408 1.742 20 5 EDBDHN O=C(CCN1CCC(n2cncn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000120600369 442101929 /nfs/dbraw/zinc/10/19/29/442101929.db2.gz OGVCPXXEYIEOPJ-UHFFFAOYSA-N 0 3 344.375 1.852 20 5 EDBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000152397842 442207177 /nfs/dbraw/zinc/20/71/77/442207177.db2.gz GAGIDZTZZMOZRN-UHFFFAOYSA-N 0 3 338.408 1.359 20 5 EDBDHN CN(CCC1CC1)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000135295645 442576404 /nfs/dbraw/zinc/57/64/04/442576404.db2.gz ZLCKWNRIJHPTIK-UHFFFAOYSA-N 0 3 346.431 1.975 20 5 EDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1 ZINC000173023094 442588169 /nfs/dbraw/zinc/58/81/69/442588169.db2.gz MODIPTGFVGGRPI-CYBMUJFWSA-N 0 3 339.417 1.499 20 5 EDBDHN CC[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000135641642 442620935 /nfs/dbraw/zinc/62/09/35/442620935.db2.gz RHNQGQWFLVJQRC-AWEZNQCLSA-N 0 3 343.387 1.885 20 5 EDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173255186 442634225 /nfs/dbraw/zinc/63/42/25/442634225.db2.gz SWAVCKSVRSAVHP-IUODEOHRSA-N 0 3 341.433 1.946 20 5 EDBDHN COC(=O)COc1ccc(CN(C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000187744935 442690007 /nfs/dbraw/zinc/69/00/07/442690007.db2.gz KBDNEBDXFZVHSF-UHFFFAOYSA-N 0 3 348.359 1.475 20 5 EDBDHN CC(C)CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181499873 442700341 /nfs/dbraw/zinc/70/03/41/442700341.db2.gz FXWIJLVBGBKANT-OAHLLOKOSA-N 0 3 337.420 1.608 20 5 EDBDHN CSc1cccc(C(=O)NC[C@@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000188251268 442729593 /nfs/dbraw/zinc/72/95/93/442729593.db2.gz KKSVQUUPKCUAJX-CQSZACIVSA-N 0 3 327.406 1.359 20 5 EDBDHN CCC1(CO)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182302526 442755359 /nfs/dbraw/zinc/75/53/59/442755359.db2.gz VXLSELUJVKGUTK-CQSZACIVSA-N 0 3 338.404 1.819 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000193580342 442755749 /nfs/dbraw/zinc/75/57/49/442755749.db2.gz ZJVZLYMKXINRCZ-GFCCVEGCSA-N 0 3 340.449 1.660 20 5 EDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247133754 442837276 /nfs/dbraw/zinc/83/72/76/442837276.db2.gz RVDHGVRFGAHMAT-CHWSQXEVSA-N 0 3 339.417 1.700 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194703874 442940524 /nfs/dbraw/zinc/94/05/24/442940524.db2.gz HTMGMVMMDOFGJF-CQSZACIVSA-N 0 3 348.447 1.907 20 5 EDBDHN COc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265930390 442973085 /nfs/dbraw/zinc/97/30/85/442973085.db2.gz FVWRBLBHMWILEU-GFCCVEGCSA-N 0 3 337.376 1.778 20 5 EDBDHN COc1cc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265940860 442976982 /nfs/dbraw/zinc/97/69/82/442976982.db2.gz JEDUDDQLRGGGGA-YPMHNXCESA-N 0 3 349.387 1.921 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](O)[C@@H](C)C1 ZINC000249597595 442993650 /nfs/dbraw/zinc/99/36/50/442993650.db2.gz XGVPARRIUVHVPK-SMDDNHRTSA-N 0 3 337.376 1.635 20 5 EDBDHN C[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000255725873 443108683 /nfs/dbraw/zinc/10/86/83/443108683.db2.gz BKUDZWURZPSNML-IDTUSYRASA-N 0 3 346.431 1.608 20 5 EDBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCN2CCC[C@@H]2C1 ZINC000266415737 443120915 /nfs/dbraw/zinc/12/09/15/443120915.db2.gz RGKZYYDYQRVTGJ-CYBMUJFWSA-N 0 3 332.360 1.836 20 5 EDBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCN2CCC[C@H]2C1 ZINC000266415739 443121262 /nfs/dbraw/zinc/12/12/62/443121262.db2.gz RGKZYYDYQRVTGJ-ZDUSSCGKSA-N 0 3 332.360 1.836 20 5 EDBDHN CN(C)C(=O)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237147226 443161311 /nfs/dbraw/zinc/16/13/11/443161311.db2.gz PTAQMDSQQWDOAK-UHFFFAOYSA-N 0 3 331.376 1.563 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(CCO)[C@@H]2CCc3ccccc32)c1 ZINC000245447311 443229098 /nfs/dbraw/zinc/22/90/98/443229098.db2.gz LYZVLNFKJKUIRE-NVXWUHKLSA-N 0 3 346.387 1.134 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C1CC1)N(C)C ZINC000411247367 319174813 /nfs/dbraw/zinc/17/48/13/319174813.db2.gz UXUDJJHXNXISKM-HNNXBMFYSA-N 0 3 348.403 1.607 20 5 EDBDHN CC[C@@H]1Cc2ccccc2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185798891 443259153 /nfs/dbraw/zinc/25/91/53/443259153.db2.gz OTJGKQDJRLPVFE-WBVHZDCISA-N 0 3 330.388 1.989 20 5 EDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1F)CCNC2 ZINC000415962358 319385653 /nfs/dbraw/zinc/38/56/53/319385653.db2.gz TVUCHZAXTBDYSZ-UHFFFAOYSA-N 0 3 348.338 1.398 20 5 EDBDHN COCCN(C)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000191364893 443284895 /nfs/dbraw/zinc/28/48/95/443284895.db2.gz AOSMRUIDDZQQSY-UHFFFAOYSA-N 0 3 334.380 1.059 20 5 EDBDHN COCCN1CC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000264488927 443307442 /nfs/dbraw/zinc/30/74/42/443307442.db2.gz IZOFMIOUUYFPDG-AWEZNQCLSA-N 0 3 346.387 1.386 20 5 EDBDHN CC(C)(C)OC1CC(N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272446290 443321111 /nfs/dbraw/zinc/32/11/11/443321111.db2.gz PCEZDVKZXMHDHB-GDVJOBBMSA-N 0 3 338.404 1.925 20 5 EDBDHN C[C@@H]1CN(CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCCO1 ZINC000278728937 443416123 /nfs/dbraw/zinc/41/61/23/443416123.db2.gz WFIBHQVZHYZJQN-GFCCVEGCSA-N 0 3 336.392 1.408 20 5 EDBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC2(OCCO)CCOCC2)c1 ZINC000282814795 443441378 /nfs/dbraw/zinc/44/13/78/443441378.db2.gz YCNYHCROQFIYQI-UHFFFAOYSA-N 0 3 344.795 1.896 20 5 EDBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N(C)C ZINC000445517445 320130209 /nfs/dbraw/zinc/13/02/09/320130209.db2.gz CJNDJZNGDUEFOV-SECBINFHSA-N 0 3 344.209 1.966 20 5 EDBDHN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448764117 320157634 /nfs/dbraw/zinc/15/76/34/320157634.db2.gz QMTLNVIEIBJPKI-GFCCVEGCSA-N 0 3 329.360 1.462 20 5 EDBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC000448792627 320160410 /nfs/dbraw/zinc/16/04/10/320160410.db2.gz DNZGTJJMMPGVGH-UHFFFAOYSA-N 0 3 329.360 1.605 20 5 EDBDHN Cc1ccc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)cc1[N+](=O)[O-] ZINC000449702097 320200268 /nfs/dbraw/zinc/20/02/68/320200268.db2.gz RPRVVEIELPEETO-INIZCTEOSA-N 0 3 346.431 1.690 20 5 EDBDHN CC(C)N1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000452098216 320241215 /nfs/dbraw/zinc/24/12/15/320241215.db2.gz AILLSEXLICDLMZ-OAHLLOKOSA-N 0 3 341.433 1.839 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491564311 320372324 /nfs/dbraw/zinc/37/23/24/320372324.db2.gz WUBBXRVOPUAENI-HWYHOQROSA-N 0 3 333.388 1.835 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283783421 443718299 /nfs/dbraw/zinc/71/82/99/443718299.db2.gz QTNUAWQUJBQAEU-UHFFFAOYSA-N 0 3 335.408 1.167 20 5 EDBDHN CN1C[C@@H]2[C@@H](CCCN2CCCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000284889203 443792361 /nfs/dbraw/zinc/79/23/61/443792361.db2.gz RBVWOJBRCWPSIR-HZPDHXFCSA-N 0 3 333.388 1.916 20 5 EDBDHN COCCN(C)CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000298459653 443773662 /nfs/dbraw/zinc/77/36/62/443773662.db2.gz VZQGFDIBUHNHIM-UHFFFAOYSA-N 0 3 329.784 1.946 20 5 EDBDHN CN(C(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000281234219 443855515 /nfs/dbraw/zinc/85/55/15/443855515.db2.gz UFRLUCCGVLMKIY-AWEZNQCLSA-N 0 3 343.387 1.776 20 5 EDBDHN CCN1CCN(CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299072740 443946569 /nfs/dbraw/zinc/94/65/69/443946569.db2.gz WUTLTMJRWJLUIX-UHFFFAOYSA-N 0 3 345.403 1.443 20 5 EDBDHN CN(C)[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000277203656 443935996 /nfs/dbraw/zinc/93/59/96/443935996.db2.gz PXAUMMSUZWDDRM-GFCCVEGCSA-N 0 3 341.433 1.919 20 5 EDBDHN Cc1c(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000277942593 444067966 /nfs/dbraw/zinc/06/79/66/444067966.db2.gz ZNBLBLSPTNMBBN-HOTGVXAUSA-N 0 3 330.388 1.845 20 5 EDBDHN CN(C)CCOc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1F ZINC000571860314 321403453 /nfs/dbraw/zinc/40/34/53/321403453.db2.gz HLZPLAMRBYBBHF-UHFFFAOYSA-N 0 3 337.311 1.650 20 5 EDBDHN CN(C)S(=O)(=O)CCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000290099199 444242402 /nfs/dbraw/zinc/24/24/02/444242402.db2.gz HVUFIPVGXJAHRK-CQSZACIVSA-N 0 3 341.433 1.397 20 5 EDBDHN CN(CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000298122772 444422994 /nfs/dbraw/zinc/42/29/94/444422994.db2.gz MYFXBVJYYUAVSZ-UHFFFAOYSA-N 0 3 340.767 1.397 20 5 EDBDHN CNC(=O)c1ccc(NCCCNCc2cccnc2)c([N+](=O)[O-])c1 ZINC000327057787 444380139 /nfs/dbraw/zinc/38/01/39/444380139.db2.gz WAVPFOCTUNLAFK-UHFFFAOYSA-N 0 3 343.387 1.941 20 5 EDBDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000331193077 444438932 /nfs/dbraw/zinc/43/89/32/444438932.db2.gz QPWPVXABMZTPDJ-UONOGXRCSA-N 0 3 327.406 1.545 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344238332 444856181 /nfs/dbraw/zinc/85/61/81/444856181.db2.gz IUSXYYFYJNZABG-ZDUSSCGKSA-N 0 3 325.340 1.575 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1Cn1ccnn1 ZINC000344402394 444942827 /nfs/dbraw/zinc/94/28/27/444942827.db2.gz XYXWPNLBJVKMDW-KBPBESRZSA-N 0 3 347.375 1.091 20 5 EDBDHN CC(C)OC[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000337341174 445039267 /nfs/dbraw/zinc/03/92/67/445039267.db2.gz QANTVNGSMZGALC-LBPRGKRZSA-N 0 3 345.421 1.276 20 5 EDBDHN C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000343141348 445091194 /nfs/dbraw/zinc/09/11/94/445091194.db2.gz XQXAFHDXFJHCHK-STQMWFEESA-N 0 3 336.392 1.136 20 5 EDBDHN O=C(NC1CCN(Cc2ccccn2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343199392 445129578 /nfs/dbraw/zinc/12/95/78/445129578.db2.gz ADCLCCQATWLCRV-UHFFFAOYSA-N 0 3 330.348 1.107 20 5 EDBDHN C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000348307178 445250741 /nfs/dbraw/zinc/25/07/41/445250741.db2.gz LOROBLXHEDJUCP-NSHDSACASA-N 0 3 345.359 1.977 20 5 EDBDHN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCN(C2CC2)C1 ZINC000348186243 445309635 /nfs/dbraw/zinc/30/96/35/445309635.db2.gz BNBGBCVEZYODQZ-MRXNPFEDSA-N 0 3 344.415 1.652 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCN1Cc1ccccc1 ZINC000359810853 445440146 /nfs/dbraw/zinc/44/01/46/445440146.db2.gz PUBKRLPDXPIOPZ-OCCSQVGLSA-N 0 3 343.387 1.721 20 5 EDBDHN COc1c(C(=O)Nc2ccn(CCN(C)C)n2)cccc1[N+](=O)[O-] ZINC000355422129 445458833 /nfs/dbraw/zinc/45/88/33/445458833.db2.gz JHRYDDXEPYRNFS-UHFFFAOYSA-N 0 3 333.348 1.614 20 5 EDBDHN C[C@H]1[C@@H](N(C)CCO)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000356046189 445588922 /nfs/dbraw/zinc/58/89/22/445588922.db2.gz MKXWPVFHMITJBH-ZBEGNZNMSA-N 0 3 346.387 1.603 20 5 EDBDHN COCCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356210013 445677605 /nfs/dbraw/zinc/67/76/05/445677605.db2.gz SPIGUZNYUDDIRW-UHFFFAOYSA-N 0 3 325.365 1.302 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360293806 445682315 /nfs/dbraw/zinc/68/23/15/445682315.db2.gz VAFBZNUKDFJVEY-AWEZNQCLSA-N 0 3 348.403 1.120 20 5 EDBDHN Cc1c(CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cccc1[N+](=O)[O-] ZINC000363497866 445833272 /nfs/dbraw/zinc/83/32/72/445833272.db2.gz BCMWLXGFKUQFJM-QGZVFWFLSA-N 0 3 346.387 1.713 20 5 EDBDHN CS(=O)(=O)C1(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000359030950 445898224 /nfs/dbraw/zinc/89/82/24/445898224.db2.gz SHCJYLFMCYQZCX-VXGBXAGGSA-N 0 3 342.421 1.442 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000584180705 326215838 /nfs/dbraw/zinc/21/58/38/326215838.db2.gz AOLRVESNGFLDHG-GXTWGEPZSA-N 0 3 348.403 1.710 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000361935234 446083244 /nfs/dbraw/zinc/08/32/44/446083244.db2.gz BGPUAOHVLFCIQH-IINYFYTJSA-N 0 3 329.360 1.637 20 5 EDBDHN Cc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000362201872 446260094 /nfs/dbraw/zinc/26/00/94/446260094.db2.gz QMJJZVFBNFOPQG-OAHLLOKOSA-N 0 3 333.388 1.886 20 5 EDBDHN Cc1ccc(CNC[C@]2(N3CCOCC3)CCCOC2)cc1[N+](=O)[O-] ZINC000370554563 446330474 /nfs/dbraw/zinc/33/04/74/446330474.db2.gz COGVEKXVOBWTOX-GOSISDBHSA-N 0 3 349.431 1.874 20 5 EDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCN1c1cccnn1 ZINC000376229033 446390623 /nfs/dbraw/zinc/39/06/23/446390623.db2.gz RWWIFCGPGOPRDF-ZDUSSCGKSA-N 0 3 331.380 1.182 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCN([C@H]2CCOC2)CC1 ZINC000370751264 446415826 /nfs/dbraw/zinc/41/58/26/446415826.db2.gz XJVXXCNFWXSVBT-HNNXBMFYSA-N 0 3 334.376 1.970 20 5 EDBDHN NC[C@H]1CCCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420303820 446465718 /nfs/dbraw/zinc/46/57/18/446465718.db2.gz XKRBTYNXYNWQBT-CYBMUJFWSA-N 0 3 327.406 1.182 20 5 EDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000375025531 446524101 /nfs/dbraw/zinc/52/41/01/446524101.db2.gz ZNIPJQRWHXLTAX-DVOMOZLQSA-N 0 3 332.404 1.948 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423619346 446609139 /nfs/dbraw/zinc/60/91/39/446609139.db2.gz VERGBHMWGLSVGZ-QWRGUYRKSA-N 0 3 335.360 1.594 20 5 EDBDHN Cn1cc(CN2CC[C@@H](CC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368131507 446659395 /nfs/dbraw/zinc/65/93/95/446659395.db2.gz ANCFEZWVSILIBN-LBPRGKRZSA-N 0 3 343.387 1.693 20 5 EDBDHN COC(=O)[C@@H]1CN(C)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411906625 446715484 /nfs/dbraw/zinc/71/54/84/446715484.db2.gz OFFDYJCYTKJPPF-CYBMUJFWSA-N 0 3 337.376 1.010 20 5 EDBDHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000411911334 446724019 /nfs/dbraw/zinc/72/40/19/446724019.db2.gz HEKCZUVMNPJWEL-CYBMUJFWSA-N 0 3 337.376 1.140 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CCCN(C)[C@H]2C)c1F ZINC000412238564 446908133 /nfs/dbraw/zinc/90/81/33/446908133.db2.gz AOOPSHMEDKXTTL-CMPLNLGQSA-N 0 3 339.367 1.884 20 5 EDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000371548402 446927487 /nfs/dbraw/zinc/92/74/87/446927487.db2.gz ZSSAVQZNNWHGHL-MLGOLLRUSA-N 0 3 332.404 1.827 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]21 ZINC000368591206 446964261 /nfs/dbraw/zinc/96/42/61/446964261.db2.gz MCHPRDOJBZICHJ-IINYFYTJSA-N 0 3 334.332 1.669 20 5 EDBDHN CC(=O)N[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000420987282 446965327 /nfs/dbraw/zinc/96/53/27/446965327.db2.gz NUNQHJMDLSKIKY-ZDUSSCGKSA-N 0 3 334.376 1.442 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](O)CC12CCC2 ZINC000420988898 446967348 /nfs/dbraw/zinc/96/73/48/446967348.db2.gz BDQFZRCFKAZXHQ-KGLIPLIRSA-N 0 3 336.388 1.714 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCOCC2(CCC2)C1 ZINC000368708550 447056564 /nfs/dbraw/zinc/05/65/64/447056564.db2.gz VSJHGYMWQUSVBL-CQSZACIVSA-N 0 3 336.388 1.837 20 5 EDBDHN COc1ccc(OCCN2CCC[C@H]2Cn2cncn2)c([N+](=O)[O-])c1 ZINC000372637471 447200066 /nfs/dbraw/zinc/20/00/66/447200066.db2.gz BEDNIPWAWRINAM-ZDUSSCGKSA-N 0 3 347.375 1.738 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000421704776 447226219 /nfs/dbraw/zinc/22/62/19/447226219.db2.gz PUDGKUXPOHAJEZ-LLVKDONJSA-N 0 3 335.360 1.532 20 5 EDBDHN CN(C[C@@H]1CCCN1C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000421709600 447227558 /nfs/dbraw/zinc/22/75/58/447227558.db2.gz GBEZKDSKZGNVAM-JTQLQIEISA-N 0 3 327.331 1.968 20 5 EDBDHN CC1(C)[C@@H]2CN([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000525175114 447973147 /nfs/dbraw/zinc/97/31/47/447973147.db2.gz RMQLDACKHGUWKL-MJBXVCDLSA-N 0 3 329.356 1.815 20 5 EDBDHN CCc1n[nH]c(C(=O)N2CCCN(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000582771781 448333355 /nfs/dbraw/zinc/33/33/55/448333355.db2.gz PYOITLDOLMINLQ-UHFFFAOYSA-N 0 3 335.408 1.828 20 5 EDBDHN CCc1[nH]nc(C(=O)N2CCCN(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000582771781 448333361 /nfs/dbraw/zinc/33/33/61/448333361.db2.gz PYOITLDOLMINLQ-UHFFFAOYSA-N 0 3 335.408 1.828 20 5 EDBDHN COc1ccc2c(c1)OCC[C@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591744205 448480236 /nfs/dbraw/zinc/48/02/36/448480236.db2.gz CRPURRFBZJVAQD-IUODEOHRSA-N 0 3 348.359 1.274 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000591983890 448610167 /nfs/dbraw/zinc/61/01/67/448610167.db2.gz BLOFLDXKURWWOR-GFCCVEGCSA-N 0 3 347.419 1.425 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000573334709 448601920 /nfs/dbraw/zinc/60/19/20/448601920.db2.gz YEYSPAUGFHVWRF-CQSZACIVSA-N 0 3 346.387 1.538 20 5 EDBDHN NC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)Cc2ccccc2C1 ZINC000592563271 448903106 /nfs/dbraw/zinc/90/31/06/448903106.db2.gz SFSUSMQGKGVBBQ-UHFFFAOYSA-N 0 3 338.367 1.371 20 5 EDBDHN C[NH+](C)CCCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593601254 449101061 /nfs/dbraw/zinc/10/10/61/449101061.db2.gz MYBYVRRBTKSLDM-UHFFFAOYSA-N 0 3 330.410 1.389 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443630 449166130 /nfs/dbraw/zinc/16/61/30/449166130.db2.gz LFJNVTODRMRVBN-MLGOLLRUSA-N 0 3 330.388 1.945 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000590446591 449167053 /nfs/dbraw/zinc/16/70/53/449167053.db2.gz UYKMYEHMMUMJSZ-MLGOLLRUSA-N 0 3 341.371 1.557 20 5 EDBDHN O=C(NC1CC(N2CCOCC2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600069230 449169934 /nfs/dbraw/zinc/16/99/34/449169934.db2.gz PPWSGBBVHPZJIL-UHFFFAOYSA-N 0 3 345.359 1.064 20 5 EDBDHN CN(CCN1CCCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593113019 449141378 /nfs/dbraw/zinc/14/13/78/449141378.db2.gz VMMSFMHTWWJXMC-UHFFFAOYSA-N 0 3 346.431 1.902 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000595747442 449145002 /nfs/dbraw/zinc/14/50/02/449145002.db2.gz JLJXKDFFJYZBHC-DOTOQJQBSA-N 0 3 330.388 1.889 20 5 EDBDHN COc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000590587980 449204023 /nfs/dbraw/zinc/20/40/23/449204023.db2.gz DMHYAWFXCIVPCB-CMPLNLGQSA-N 0 3 343.405 1.317 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)c1C ZINC000590590601 449206490 /nfs/dbraw/zinc/20/64/90/449206490.db2.gz ZRFLXFGRRGJTGF-GXTWGEPZSA-N 0 3 341.433 1.925 20 5 EDBDHN CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCN(CC)C1 ZINC000598041811 449209844 /nfs/dbraw/zinc/20/98/44/449209844.db2.gz NHNGANGGGFHKGY-AWEZNQCLSA-N 0 3 337.424 1.741 20 5 EDBDHN COC1CCN(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000611196467 449212070 /nfs/dbraw/zinc/21/20/70/449212070.db2.gz GHVMIFQGXOZFMV-UHFFFAOYSA-N 0 3 346.387 1.917 20 5 EDBDHN Cc1cc(C(=O)N2CC(CN3CCN(C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000590561701 449192186 /nfs/dbraw/zinc/19/21/86/449192186.db2.gz FAKFLIHRORFKPX-UHFFFAOYSA-N 0 3 332.404 1.223 20 5 EDBDHN O=C(CNC1(CO)CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611463138 449297304 /nfs/dbraw/zinc/29/73/04/449297304.db2.gz ZIFNZIXGLCUZIT-UHFFFAOYSA-N 0 3 333.388 1.769 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594100789 449353891 /nfs/dbraw/zinc/35/38/91/449353891.db2.gz SAOIBVFEQVEVKU-QWHCGFSZSA-N 0 3 334.376 1.494 20 5 EDBDHN C[NH+](C)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)C ZINC000593547285 449338908 /nfs/dbraw/zinc/33/89/08/449338908.db2.gz UBGLXSACEHSYRQ-LBPRGKRZSA-N 0 3 344.437 1.635 20 5 EDBDHN C[C@@H]1C[C@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCN1C ZINC000596144468 449383452 /nfs/dbraw/zinc/38/34/52/449383452.db2.gz FDXVLRMKDPYMRQ-MWLCHTKSSA-N 0 3 328.394 1.137 20 5 EDBDHN CC(C)N1CC[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598590419 449479721 /nfs/dbraw/zinc/47/97/21/449479721.db2.gz YCZMJFWNTUNHKQ-LBPRGKRZSA-N 0 3 336.396 1.116 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000598602863 449487320 /nfs/dbraw/zinc/48/73/20/449487320.db2.gz WJMRVQXTQYBBPX-ZDUSSCGKSA-N 0 3 341.433 1.832 20 5 EDBDHN C[C@@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000594393815 449490796 /nfs/dbraw/zinc/49/07/96/449490796.db2.gz RDTBXJIGXARIFK-KGYLQXTDSA-N 0 3 337.351 1.115 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 ZINC000598907415 449642431 /nfs/dbraw/zinc/64/24/31/449642431.db2.gz RNWSOXVIAVIMDE-AWEZNQCLSA-N 0 3 349.391 1.173 20 5 EDBDHN CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](CN)C1 ZINC000598913007 449644440 /nfs/dbraw/zinc/64/44/40/449644440.db2.gz DUIBGWGDSOHACE-SNVBAGLBSA-N 0 3 327.772 1.355 20 5 EDBDHN COCCN(C)CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601110970 449694893 /nfs/dbraw/zinc/69/48/93/449694893.db2.gz MSDXCZDJPFRBGR-UHFFFAOYSA-N 0 3 325.291 1.337 20 5 EDBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2C[C@H](O)C2)c1 ZINC000595000331 449837360 /nfs/dbraw/zinc/83/73/60/449837360.db2.gz FDNZZBAXVKKBBP-HOMQSWHASA-N 0 3 348.140 1.812 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3cccnc3)C2)c1 ZINC000602852707 449859449 /nfs/dbraw/zinc/85/94/49/449859449.db2.gz GMMWEEVNAFNEOR-GOEBONIOSA-N 0 3 331.376 1.427 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000595092694 449865672 /nfs/dbraw/zinc/86/56/72/449865672.db2.gz ZEYPWTGZHMXELT-LBPRGKRZSA-N 0 3 348.403 1.831 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[C@H]1N(C)C ZINC000615296574 450051995 /nfs/dbraw/zinc/05/19/95/450051995.db2.gz ACBCYOVXLFFULM-VXGBXAGGSA-N 0 3 327.406 1.664 20 5 EDBDHN CNc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000609837968 450102875 /nfs/dbraw/zinc/10/28/75/450102875.db2.gz QRIDMZCCYBPNBU-UHFFFAOYSA-N 0 3 336.392 1.213 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CCN([C@H]4CCC[C@@H]4O)CC3)nc2c1 ZINC000618279260 450115140 /nfs/dbraw/zinc/11/51/40/450115140.db2.gz FCFGMNMISRSPIQ-HOTGVXAUSA-N 0 3 345.403 1.502 20 5 EDBDHN COc1c(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000597695541 450202726 /nfs/dbraw/zinc/20/27/26/450202726.db2.gz UAIJQTIEVUYYPF-ZFWWWQNUSA-N 0 3 349.387 1.539 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000610403356 450207372 /nfs/dbraw/zinc/20/73/72/450207372.db2.gz NUABAMNBIQBTHM-OLZOCXBDSA-N 0 3 336.392 1.756 20 5 EDBDHN NC(=O)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000619717527 450317876 /nfs/dbraw/zinc/31/78/76/450317876.db2.gz NJEWHRWCJNRLGT-UHFFFAOYSA-N 0 3 334.376 1.653 20 5 EDBDHN COC(=O)c1cc(C(=O)N(C)CC2(N(C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000188012864 533720541 /nfs/dbraw/zinc/72/05/41/533720541.db2.gz LXIGSXLCTRRRQO-UHFFFAOYSA-N 0 3 349.387 1.938 20 5 EDBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000155220462 534810704 /nfs/dbraw/zinc/81/07/04/534810704.db2.gz KOPWRQYHOBXEHG-UHFFFAOYSA-N 0 3 337.380 1.083 20 5 EDBDHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264103046 536431488 /nfs/dbraw/zinc/43/14/88/536431488.db2.gz AVSXHPPTCIVMKZ-LLVKDONJSA-N 0 3 335.360 1.390 20 5 EDBDHN CC(C)(C)[C@H](CCO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183683317 526693079 /nfs/dbraw/zinc/69/30/79/526693079.db2.gz XPEXFLIBGFTHAG-HNNXBMFYSA-N 0 3 335.404 1.871 20 5 EDBDHN COc1cc(C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000346203705 536514528 /nfs/dbraw/zinc/51/45/28/536514528.db2.gz UTXKBNGINDAKOB-MRVPVSSYSA-N 0 3 347.318 1.885 20 5 EDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000173988323 528290162 /nfs/dbraw/zinc/29/01/62/528290162.db2.gz GETQFEJMVSEBKB-ZDUSSCGKSA-N 0 3 327.406 1.700 20 5 EDBDHN CCN(CCO)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000183928572 528534091 /nfs/dbraw/zinc/53/40/91/528534091.db2.gz ZTNYHFJJPGRRAU-UHFFFAOYSA-N 0 3 334.376 1.049 20 5 EDBDHN CC(C)CN1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000268344788 535106319 /nfs/dbraw/zinc/10/63/19/535106319.db2.gz CUHDAAUOWGRYQG-UHFFFAOYSA-N 0 3 342.421 1.020 20 5 EDBDHN CN(C)C[C@H]1CCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332172961 535958579 /nfs/dbraw/zinc/95/85/79/535958579.db2.gz QHXVNFLYEURWDU-CYBMUJFWSA-N 0 3 349.387 1.461 20 5 EDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCCC1 ZINC000727372422 578527547 /nfs/dbraw/zinc/52/75/47/578527547.db2.gz GDRVHEVJXWCDSK-LBPRGKRZSA-N 0 3 349.387 1.970 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000733159862 578746027 /nfs/dbraw/zinc/74/60/27/578746027.db2.gz YJCNBWGWALVKRF-KRWDZBQOSA-N 0 3 347.415 1.897 20 5 EDBDHN C[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCCC1 ZINC000736800289 579021660 /nfs/dbraw/zinc/02/16/60/579021660.db2.gz IXASPWQBYBBCPB-UHFFFAOYSA-N 0 3 346.395 1.846 20 5 EDBDHN C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCCC1 ZINC000736800289 579021661 /nfs/dbraw/zinc/02/16/61/579021661.db2.gz IXASPWQBYBBCPB-UHFFFAOYSA-N 0 3 346.395 1.846 20 5 EDBDHN C[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCCC1 ZINC000736800289 579021662 /nfs/dbraw/zinc/02/16/62/579021662.db2.gz IXASPWQBYBBCPB-UHFFFAOYSA-N 0 3 346.395 1.846 20 5 EDBDHN C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCCC1 ZINC000736800289 579021663 /nfs/dbraw/zinc/02/16/63/579021663.db2.gz IXASPWQBYBBCPB-UHFFFAOYSA-N 0 3 346.395 1.846 20 5 EDBDHN CN(CCCNCc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000748815439 579701276 /nfs/dbraw/zinc/70/12/76/579701276.db2.gz IPPSLOMOPVXQER-UHFFFAOYSA-N 0 3 335.813 1.619 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000753707479 579885375 /nfs/dbraw/zinc/88/53/75/579885375.db2.gz PXPRIYASPXLPFU-WCQYABFASA-N 0 3 343.387 1.686 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(Cn3cncn3)CC2)cc1 ZINC000778225646 580459168 /nfs/dbraw/zinc/45/91/68/580459168.db2.gz NWCRESOOLOPLHU-MRXNPFEDSA-N 0 3 331.376 1.632 20 5 EDBDHN COC(=O)C[C@]1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000770692039 580267994 /nfs/dbraw/zinc/26/79/94/580267994.db2.gz MITZUIWNMUUFHQ-GOEBONIOSA-N 0 3 338.360 1.330 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000776590942 580422917 /nfs/dbraw/zinc/42/29/17/580422917.db2.gz MKMIDBXJIAPHGK-CZUORRHYSA-N 0 3 331.376 1.632 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778954409 580476638 /nfs/dbraw/zinc/47/66/38/580476638.db2.gz WEPLWIRHZLLMQM-KRWDZBQOSA-N 0 3 336.436 1.198 20 5 EDBDHN C[C@H]1CCCN1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000780866560 580535820 /nfs/dbraw/zinc/53/58/20/580535820.db2.gz RMDUZVBOCLXJCP-ZDUSSCGKSA-N 0 3 341.433 1.541 20 5 EDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000781945066 580560930 /nfs/dbraw/zinc/56/09/30/580560930.db2.gz YCPCVMQYHVMUDG-CJNGLKHVSA-N 0 3 337.420 1.405 20 5 EDBDHN CC(COC(=O)CN1c2ccccc2OC(F)(F)C1=O)[N+](=O)[O-] ZINC000797281070 580972080 /nfs/dbraw/zinc/97/20/80/580972080.db2.gz PNUWFQOAIDOKET-QMMMGPOBSA-N 0 3 330.243 1.213 20 5 EDBDHN C[C@H]1CCCN1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000891618345 591151655 /nfs/dbraw/zinc/15/16/55/591151655.db2.gz OWSMGDADNHWKGT-ZDUSSCGKSA-N 0 3 335.408 1.790 20 5 EDBDHN CCO[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])CN(C)C ZINC000896116991 591349802 /nfs/dbraw/zinc/34/98/02/591349802.db2.gz JGOWWZLHSJYVKX-LBPRGKRZSA-N 0 3 348.403 1.825 20 5 EDBDHN COC(=O)c1cnc(N2C[C@]3(C)CN(C)C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000894799924 591420796 /nfs/dbraw/zinc/42/07/96/591420796.db2.gz BYRTXXZCPFECFH-HOTGVXAUSA-N 0 3 334.376 1.554 20 5 EDBDHN CN(C)C1(C)CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000894848989 591443760 /nfs/dbraw/zinc/44/37/60/591443760.db2.gz OPZSNFAVBZWKNC-UHFFFAOYSA-N 0 3 341.433 1.919 20 5 EDBDHN COC(=O)Cc1ccc(N2CCC23CCN(C)CC3)c([N+](=O)[O-])c1 ZINC000897133235 591747374 /nfs/dbraw/zinc/74/73/74/591747374.db2.gz HZFDJACDLBZWRP-UHFFFAOYSA-N 0 3 333.388 1.985 20 5 EDBDHN COC[C@H]1CNCCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000900451670 592021169 /nfs/dbraw/zinc/02/11/69/592021169.db2.gz VMQUTBVYJZHGHS-CQSZACIVSA-N 0 3 348.403 1.255 20 5 EDBDHN O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H]4[C@@H]3CCCN4CCO)c2c1 ZINC000902643840 592034887 /nfs/dbraw/zinc/03/48/87/592034887.db2.gz MOSOKGLZRZJHJR-JKSUJKDBSA-N 0 3 345.403 1.433 20 5 EDBDHN O=C(C1CN(C2CCOCC2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000900770724 592119522 /nfs/dbraw/zinc/11/95/22/592119522.db2.gz GBZLRMKWVRQCIM-UHFFFAOYSA-N 0 3 331.372 1.595 20 5 EDBDHN C[C@@H]1C[C@]2(CC[C@@H](CNC[C@H](O)c3ccc([N+](=O)[O-])cc3)O2)CO1 ZINC000905484138 592539421 /nfs/dbraw/zinc/53/94/21/592539421.db2.gz GNVWKVYDBFEQKV-ISWURRPUSA-N 0 3 336.388 1.944 20 5 EDBDHN C[C@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCO1 ZINC000905589975 592584262 /nfs/dbraw/zinc/58/42/62/592584262.db2.gz PVWIMCXRCHQRLC-OAHLLOKOSA-N 0 3 342.417 1.917 20 5 EDBDHN CC(COC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)[N+](=O)[O-] ZINC000838965017 593244066 /nfs/dbraw/zinc/24/40/66/593244066.db2.gz MGNIPHAFYDPOJX-QMMMGPOBSA-N 0 3 337.300 1.434 20 5 EDBDHN CC(C)S(=O)(=O)CCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000808726095 593283049 /nfs/dbraw/zinc/28/30/49/593283049.db2.gz PIVQKVOCWARPIH-CHWSQXEVSA-N 0 3 344.437 1.688 20 5 EDBDHN CCN1CCN(c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2F)CC1 ZINC000813102930 593517334 /nfs/dbraw/zinc/51/73/34/593517334.db2.gz LWWJHHVLUZPIEC-LBPRGKRZSA-N 0 3 339.367 1.790 20 5 EDBDHN COc1nc(C)c(Br)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106919 593518125 /nfs/dbraw/zinc/51/81/25/593518125.db2.gz HWNRILJTQYUBMR-LURJTMIESA-N 0 3 333.138 1.983 20 5 EDBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[N+](=O)[O-] ZINC000813111291 593518595 /nfs/dbraw/zinc/51/85/95/593518595.db2.gz QYFWZKSYSCWSEU-LLVKDONJSA-N 0 3 342.373 1.293 20 5 EDBDHN CC(COC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1)[N+](=O)[O-] ZINC000813114766 593518757 /nfs/dbraw/zinc/51/87/57/593518757.db2.gz GJKQNDMTVOYXSU-DGCLKSJQSA-N 0 3 329.374 1.413 20 5 EDBDHN CC(COC(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1)[N+](=O)[O-] ZINC000813114768 593518783 /nfs/dbraw/zinc/51/87/83/593518783.db2.gz GJKQNDMTVOYXSU-YPMHNXCESA-N 0 3 329.374 1.413 20 5 EDBDHN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114426 593518936 /nfs/dbraw/zinc/51/89/36/593518936.db2.gz ROBUKLFTBHWGEN-SSDOTTSWSA-N 0 3 326.305 1.063 20 5 EDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC000818012317 593657206 /nfs/dbraw/zinc/65/72/06/593657206.db2.gz UMTXKWDKRAOPDZ-SECBINFHSA-N 0 3 331.731 1.034 20 5 EDBDHN CC1(C)OC[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000819155674 593741901 /nfs/dbraw/zinc/74/19/01/593741901.db2.gz PBFHURCUIFOVEG-RYUDHWBXSA-N 0 3 326.349 1.076 20 5 EDBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)(C)C[NH+](C)C ZINC000820461311 593820104 /nfs/dbraw/zinc/82/01/04/593820104.db2.gz HCTVFBBQXNCXOI-SECBINFHSA-N 0 3 334.384 1.558 20 5 EDBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)(C)C[NH+](C)C ZINC000820461311 593820105 /nfs/dbraw/zinc/82/01/05/593820105.db2.gz HCTVFBBQXNCXOI-SECBINFHSA-N 0 3 334.384 1.558 20 5 EDBDHN C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820750314 593879401 /nfs/dbraw/zinc/87/94/01/593879401.db2.gz ATOLSXOJALAEEQ-OTYXRUKQSA-N 0 3 329.364 1.670 20 5 EDBDHN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820750314 593879403 /nfs/dbraw/zinc/87/94/03/593879403.db2.gz ATOLSXOJALAEEQ-OTYXRUKQSA-N 0 3 329.364 1.670 20 5 EDBDHN C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820750314 593879406 /nfs/dbraw/zinc/87/94/06/593879406.db2.gz ATOLSXOJALAEEQ-OTYXRUKQSA-N 0 3 329.364 1.670 20 5 EDBDHN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820750314 593879408 /nfs/dbraw/zinc/87/94/08/593879408.db2.gz ATOLSXOJALAEEQ-OTYXRUKQSA-N 0 3 329.364 1.670 20 5 EDBDHN C[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000825466930 594189702 /nfs/dbraw/zinc/18/97/02/594189702.db2.gz KGPMCCFFIRMPRE-CZUORRHYSA-N 0 3 335.404 1.865 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823635093 594223439 /nfs/dbraw/zinc/22/34/39/594223439.db2.gz RIPHPEMKSSCFFN-HNNXBMFYSA-N 0 3 340.343 1.598 20 5 EDBDHN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000825763673 594240554 /nfs/dbraw/zinc/24/05/54/594240554.db2.gz ATQFHOZWYWIWLO-CVEARBPZSA-N 0 3 333.388 1.715 20 5 EDBDHN Cc1cc(Cl)c(C(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000828505372 594438944 /nfs/dbraw/zinc/43/89/44/594438944.db2.gz OXBRRZSRLBTXEG-CQSZACIVSA-N 0 3 327.768 1.353 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCN1C1CCCCCC1 ZINC000826673985 594552133 /nfs/dbraw/zinc/55/21/33/594552133.db2.gz PGNWWVQZRJKVTC-CQSZACIVSA-N 0 3 335.408 1.705 20 5 EDBDHN C[N@H+](CCCC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000841526897 594915561 /nfs/dbraw/zinc/91/55/61/594915561.db2.gz BWUHVCDHOCKCPF-UHFFFAOYSA-N 0 3 333.435 1.809 20 5 EDBDHN C[N@@H+](CCCC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000841526897 594915563 /nfs/dbraw/zinc/91/55/63/594915563.db2.gz BWUHVCDHOCKCPF-UHFFFAOYSA-N 0 3 333.435 1.809 20 5 EDBDHN CN1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](CN)C1 ZINC000841856569 594966493 /nfs/dbraw/zinc/96/64/93/594966493.db2.gz SLLMBMSOMLABPN-LBPRGKRZSA-N 0 3 341.799 1.033 20 5 EDBDHN C[C@@H](CN1CCCC1)OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000845669212 595041025 /nfs/dbraw/zinc/04/10/25/595041025.db2.gz SQXPULPJXMIZSZ-LBPRGKRZSA-N 0 3 345.359 1.817 20 5 EDBDHN CCCC(=O)NCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845880536 595086977 /nfs/dbraw/zinc/08/69/77/595086977.db2.gz ZYNWRNPYTFTSQT-BMIGLBTASA-N 0 3 326.324 1.992 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000834315202 595091942 /nfs/dbraw/zinc/09/19/42/595091942.db2.gz WYRDLKKIEZFDCQ-YGRLFVJLSA-N 0 3 334.332 1.588 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842481706 595117657 /nfs/dbraw/zinc/11/76/57/595117657.db2.gz NKOFAEASYPQVFD-JTQLQIEISA-N 0 3 347.824 1.977 20 5 EDBDHN CN1CCC(ONC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000846648416 595292747 /nfs/dbraw/zinc/29/27/47/595292747.db2.gz XSJWHOYETJKBRW-UHFFFAOYSA-N 0 3 345.302 1.952 20 5 EDBDHN CC1(C)C(=O)N[C@@H]1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846931117 595338767 /nfs/dbraw/zinc/33/87/67/595338767.db2.gz XOXRDEFNRSLLOY-JKSUJKDBSA-N 0 3 347.415 1.865 20 5 EDBDHN Cc1c(CN)c(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)nn1C ZINC000852900358 595604901 /nfs/dbraw/zinc/60/49/01/595604901.db2.gz WIXNIWIUTWDDGR-UHFFFAOYSA-N 0 3 343.347 1.084 20 5 EDBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(C)C1 ZINC000855363743 595686227 /nfs/dbraw/zinc/68/62/27/595686227.db2.gz WHBWMSOXSILTAC-NSHDSACASA-N 0 3 325.340 1.665 20 5 EDBDHN CN(CC1CN(C)C1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000853553840 595798761 /nfs/dbraw/zinc/79/87/61/595798761.db2.gz TWAIEHJHMMHRSE-UHFFFAOYSA-N 0 3 343.387 1.269 20 5 EDBDHN C[C@@H]1CCCN1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000856733104 596064776 /nfs/dbraw/zinc/06/47/76/596064776.db2.gz OJWLHDJWSFNPPJ-GFCCVEGCSA-N 0 3 336.396 1.118 20 5 EDBDHN O=C1CCCN1C[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852680022 596226401 /nfs/dbraw/zinc/22/64/01/596226401.db2.gz JLLKRIJYWBVNFL-BBRMVZONSA-N 0 3 333.388 1.573 20 5 EDBDHN Cc1nn(CCC(=O)O[C@@H](CN(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000870571238 596284662 /nfs/dbraw/zinc/28/46/62/596284662.db2.gz XTYQMCCDEIBSAX-ZDUSSCGKSA-N 0 3 326.397 1.928 20 5 EDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000867807694 596560369 /nfs/dbraw/zinc/56/03/69/596560369.db2.gz KCSVPRCFJROZOD-BXUZGUMPSA-N 0 3 325.390 1.310 20 5 EDBDHN CN(C)C1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000119450525 596583894 /nfs/dbraw/zinc/58/38/94/596583894.db2.gz HZUMUDKUDPHUCB-GFCCVEGCSA-N 0 3 333.392 1.487 20 5 EDBDHN CCC1(N2CCOCC2)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000863491068 596597302 /nfs/dbraw/zinc/59/73/02/596597302.db2.gz QATRUUBFENNJNS-UHFFFAOYSA-N 0 3 341.452 1.925 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000869785774 596637393 /nfs/dbraw/zinc/63/73/93/596637393.db2.gz DMLAIJSWRKNEMW-GPAKFWEMSA-N 0 3 333.388 1.569 20 5 EDBDHN C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)CN1CCCC1 ZINC000119613060 596671828 /nfs/dbraw/zinc/67/18/28/596671828.db2.gz CMKRRJWHUXMMAW-SNVBAGLBSA-N 0 3 333.435 1.667 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@]12COC(=O)N1CCOC2 ZINC000865770459 596676743 /nfs/dbraw/zinc/67/67/43/596676743.db2.gz MAVGPGDDAJBOHM-SDSFWRRZSA-N 0 3 347.371 1.809 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2CC3(CO2)CCOCC3)c1 ZINC000872231785 596847118 /nfs/dbraw/zinc/84/71/18/596847118.db2.gz RWXWERHZRNSFMZ-HZPDHXFCSA-N 0 3 336.388 1.804 20 5 EDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(=O)(=O)N(C)C ZINC000866364333 596867690 /nfs/dbraw/zinc/86/76/90/596867690.db2.gz MQAZLLOQONNUQY-SNVBAGLBSA-N 0 3 333.385 1.146 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C[C@@H](O)CN1CCOCC1 ZINC000876757330 597325091 /nfs/dbraw/zinc/32/50/91/597325091.db2.gz BWRSLBPXMSSMCL-OAHLLOKOSA-N 0 3 337.420 1.337 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1Cc2ccccc2CN1 ZINC000877347321 597498068 /nfs/dbraw/zinc/49/80/68/597498068.db2.gz UCBHGXSCEBWCPK-MRXNPFEDSA-N 0 3 325.368 1.968 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000882246879 597912195 /nfs/dbraw/zinc/91/21/95/597912195.db2.gz TYXGHPRJMPFOTN-JTQLQIEISA-N 0 3 347.824 1.787 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000882246880 597912477 /nfs/dbraw/zinc/91/24/77/597912477.db2.gz TYXGHPRJMPFOTN-SNVBAGLBSA-N 0 3 347.824 1.787 20 5 EDBDHN CCCN1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000880741659 598001104 /nfs/dbraw/zinc/00/11/04/598001104.db2.gz MNLHFLVXOUBKLG-LBPRGKRZSA-N 0 3 349.387 1.970 20 5 EDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CNCc2ncc(C3CC3)o2)CC1 ZINC000997770202 704670732 /nfs/dbraw/zinc/67/07/32/704670732.db2.gz UPQFDSJVUCOBPS-ZIAGYGMSSA-N 0 3 348.403 1.545 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)C(C)(C)F)CC1 ZINC001034575218 710261612 /nfs/dbraw/zinc/26/16/12/710261612.db2.gz ASKXMNVEDFKGTP-XYPYZODXSA-N 0 3 341.387 1.593 20 5 EDBDHN COc1cc(CNCC[C@H]2CC(=O)N(C)C2)c([N+](=O)[O-])cc1OC ZINC000922488422 711607359 /nfs/dbraw/zinc/60/73/59/711607359.db2.gz JVVLASXYPOCUAK-NSHDSACASA-N 0 3 337.376 1.570 20 5 EDBDHN COC(=O)[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000066836021 215084708 /nfs/dbraw/zinc/08/47/08/215084708.db2.gz JGZFMHFQRUWITQ-LBPRGKRZSA-N 0 3 335.360 1.808 20 5 EDBDHN O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412362504 304001769 /nfs/dbraw/zinc/00/17/69/304001769.db2.gz AZMHQCQSTDEFSH-YESZJQIVSA-N 0 3 347.415 1.661 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(CC)CC ZINC000076825445 138250040 /nfs/dbraw/zinc/25/00/40/138250040.db2.gz VKFXGARBMLEILL-UHFFFAOYSA-N 0 3 329.422 1.777 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000131133117 223208113 /nfs/dbraw/zinc/20/81/13/223208113.db2.gz WOKRBMJPPSCNHK-GXTWGEPZSA-N 0 3 334.376 1.475 20 5 EDBDHN COc1cc(CN2CCNC[C@](C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000414772961 304139474 /nfs/dbraw/zinc/13/94/74/304139474.db2.gz VYHMJLHAKIRNBV-HNNXBMFYSA-N 0 3 327.356 1.745 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](C)CN1 ZINC000237580600 139054682 /nfs/dbraw/zinc/05/46/82/139054682.db2.gz JAPBAGLDYBBENZ-RYUDHWBXSA-N 0 3 329.360 1.603 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249142814 139187339 /nfs/dbraw/zinc/18/73/39/139187339.db2.gz FWIGSSQULXRJDK-BXUZGUMPSA-N 0 3 348.403 1.640 20 5 EDBDHN CCCCN(C)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000112363981 220314799 /nfs/dbraw/zinc/31/47/99/220314799.db2.gz PZMPYKLBKRHPMG-UHFFFAOYSA-N 0 3 329.422 1.913 20 5 EDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000263743300 139357204 /nfs/dbraw/zinc/35/72/04/139357204.db2.gz WDQKOGQIPIYWNX-OAHLLOKOSA-N 0 3 348.403 1.267 20 5 EDBDHN CN1CCN(CCCCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491094655 255120378 /nfs/dbraw/zinc/12/03/78/255120378.db2.gz XAOZXSXTPXVXKB-HJWRWDBZSA-N 0 3 346.431 1.752 20 5 EDBDHN COC(=O)[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000263889550 139367616 /nfs/dbraw/zinc/36/76/16/139367616.db2.gz RLNLOLHXJGHOLB-JSGCOSHPSA-N 0 3 338.360 1.220 20 5 EDBDHN Cc1c(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000270293893 140075018 /nfs/dbraw/zinc/07/50/18/140075018.db2.gz XKLCUTYGDXXOGB-UHFFFAOYSA-N 0 3 344.371 1.879 20 5 EDBDHN CCn1cccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1=O ZINC000572114195 306581451 /nfs/dbraw/zinc/58/14/51/306581451.db2.gz HKOBREITNJEEQY-UHFFFAOYSA-N 0 3 344.371 1.895 20 5 EDBDHN CCN1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC)[C@@H]2C1 ZINC000339389233 142034287 /nfs/dbraw/zinc/03/42/87/142034287.db2.gz BGRYVDRODMRSFP-WBVHZDCISA-N 0 3 335.404 1.898 20 5 EDBDHN C[C@@H](CO)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000345687061 143121526 /nfs/dbraw/zinc/12/15/26/143121526.db2.gz YGYIUVMOQIOVRN-NSHDSACASA-N 0 3 340.355 1.654 20 5 EDBDHN CCCc1n[n-]c(C(=O)N(C)C[C@H]2C[C@H](OC)C[N@@H+]2C)c1[N+](=O)[O-] ZINC000346701263 143234267 /nfs/dbraw/zinc/23/42/67/143234267.db2.gz SGPIPHSAFOSMBU-MNOVXSKESA-N 0 3 339.396 1.062 20 5 EDBDHN CCCc1n[n-]c(C(=O)N(C)C[C@H]2C[C@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000346701263 143234268 /nfs/dbraw/zinc/23/42/68/143234268.db2.gz SGPIPHSAFOSMBU-MNOVXSKESA-N 0 3 339.396 1.062 20 5 EDBDHN CCCc1[nH]nc(C(=O)N(C)C[C@H]2C[C@H](OC)CN2C)c1[N+](=O)[O-] ZINC000346701263 143234269 /nfs/dbraw/zinc/23/42/69/143234269.db2.gz SGPIPHSAFOSMBU-MNOVXSKESA-N 0 3 339.396 1.062 20 5 EDBDHN CCCc1n[nH]c(C(=O)N(C)C[C@H]2C[C@H](OC)CN2C)c1[N+](=O)[O-] ZINC000346701263 143234270 /nfs/dbraw/zinc/23/42/70/143234270.db2.gz SGPIPHSAFOSMBU-MNOVXSKESA-N 0 3 339.396 1.062 20 5 EDBDHN O=C([C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1)N1CCNCC1 ZINC000347039487 143275075 /nfs/dbraw/zinc/27/50/75/143275075.db2.gz HDIYXKUKYRANLJ-ZDUSSCGKSA-N 0 3 338.433 1.300 20 5 EDBDHN COc1cc(OCC(=O)N(C)[C@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000347955745 143383334 /nfs/dbraw/zinc/38/33/34/143383334.db2.gz SZQOMXJALYGJSK-HNNXBMFYSA-N 0 3 349.387 1.535 20 5 EDBDHN CC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1c(C)nn(C)c1C ZINC000348045400 143395343 /nfs/dbraw/zinc/39/53/43/143395343.db2.gz NNYANWYCXVGRPV-AWEZNQCLSA-N 0 3 333.392 1.848 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1CCN[C@@H]1CCCS(=O)(=O)C1 ZINC000352966247 149232918 /nfs/dbraw/zinc/23/29/18/149232918.db2.gz ITOATDXWIZCYNB-GFCCVEGCSA-N 0 3 332.809 1.958 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN1C1CCN(C)CC1 ZINC000354984550 150064825 /nfs/dbraw/zinc/06/48/25/150064825.db2.gz NRNSHCPOEHBSHP-CYBMUJFWSA-N 0 3 349.435 1.174 20 5 EDBDHN COC(=O)COc1ccc(CN(C)CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000355755484 150387523 /nfs/dbraw/zinc/38/75/23/150387523.db2.gz AAAPOZXXUOROBD-LLVKDONJSA-N 0 3 326.349 1.349 20 5 EDBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1)N(C)C ZINC000357853708 151173586 /nfs/dbraw/zinc/17/35/86/151173586.db2.gz CNJGDRARXXKJTR-GUYCJALGSA-N 0 3 345.403 1.907 20 5 EDBDHN CNc1c(C(=O)NC[C@H]2CCCN2CCOC)cccc1[N+](=O)[O-] ZINC000361209926 152336641 /nfs/dbraw/zinc/33/66/41/152336641.db2.gz JHJUMZPFMPDLJA-GFCCVEGCSA-N 0 3 336.392 1.477 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363834917 153070489 /nfs/dbraw/zinc/07/04/89/153070489.db2.gz RRDDXURLYFKFSZ-WZFZXHKMSA-N 0 3 345.399 1.978 20 5 EDBDHN COc1cc(C(=O)Nc2cnc3c(c2)CNCC3)ccc1[N+](=O)[O-] ZINC000364139196 153153852 /nfs/dbraw/zinc/15/38/52/153153852.db2.gz NHVDIRUQNUBQIU-UHFFFAOYSA-N 0 3 328.328 1.896 20 5 EDBDHN Nc1c(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc(F)cc1[N+](=O)[O-] ZINC000370222736 155385512 /nfs/dbraw/zinc/38/55/12/155385512.db2.gz NEQBBRJUAYOEHM-UONOGXRCSA-N 0 3 344.346 1.883 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000420285380 286382433 /nfs/dbraw/zinc/38/24/33/286382433.db2.gz OYMMJBMDSIHYNY-GFCCVEGCSA-N 0 3 332.364 1.495 20 5 EDBDHN O=C(Nc1ccccn1)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000377938874 158033598 /nfs/dbraw/zinc/03/35/98/158033598.db2.gz IVEYXTHMLFYGJK-CYBMUJFWSA-N 0 3 344.375 1.537 20 5 EDBDHN C[C@@]1(c2ccccc2)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000378127274 158086119 /nfs/dbraw/zinc/08/61/19/158086119.db2.gz PIXBNCIETPVKKP-DLBZAZTESA-N 0 3 330.388 1.816 20 5 EDBDHN CN1CC=C(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273105103 273028517 /nfs/dbraw/zinc/02/85/17/273028517.db2.gz MVRFNVMEJZBZSY-MRXNPFEDSA-N 0 3 344.371 1.466 20 5 EDBDHN CN(C)C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000276016832 268391624 /nfs/dbraw/zinc/39/16/24/268391624.db2.gz QMIJALGCXLEXSZ-UHFFFAOYSA-N 0 3 335.360 1.580 20 5 EDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284527059 274234314 /nfs/dbraw/zinc/23/43/14/274234314.db2.gz WNOOECQDGIAMGF-QMTHXVAHSA-N 0 3 336.367 1.872 20 5 EDBDHN CS[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270645302 278166824 /nfs/dbraw/zinc/16/68/24/278166824.db2.gz KNOBZLVESONGCD-KBPBESRZSA-N 0 3 338.433 1.511 20 5 EDBDHN C[C@@H]1C[C@H]1N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)C1 ZINC000488747890 279008138 /nfs/dbraw/zinc/00/81/38/279008138.db2.gz FZZLGNWLJRKFLN-YNEHKIRRSA-N 0 3 330.392 1.804 20 5 EDBDHN CCN(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000332049681 279188107 /nfs/dbraw/zinc/18/81/07/279188107.db2.gz XJWNDWXHJZSEQB-UHFFFAOYSA-N 0 3 335.408 1.910 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287387498 288226542 /nfs/dbraw/zinc/22/65/42/288226542.db2.gz INRUBMODZXAGCX-OCCSQVGLSA-N 0 3 343.387 1.958 20 5 EDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCCn1cc(CO)nn1 ZINC000289842167 288789009 /nfs/dbraw/zinc/78/90/09/288789009.db2.gz NGWISZNVRCRFQG-UHFFFAOYSA-N 0 3 325.756 1.512 20 5 EDBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000272563558 298272439 /nfs/dbraw/zinc/27/24/39/298272439.db2.gz SLHUGCQPPZOPML-GFCCVEGCSA-N 0 3 341.433 1.946 20 5 EDBDHN Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377730642 447323743 /nfs/dbraw/zinc/32/37/43/447323743.db2.gz ZTAJDPAVZDVBKW-UKPHBRMFSA-N 0 3 333.388 1.819 20 5 EDBDHN CCc1n[nH]c(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293666473 303000591 /nfs/dbraw/zinc/00/05/91/303000591.db2.gz JVNNMCXOSCQQRI-LLVKDONJSA-N 0 3 335.408 1.827 20 5 EDBDHN CCc1[nH]nc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293666473 303000593 /nfs/dbraw/zinc/00/05/93/303000593.db2.gz JVNNMCXOSCQQRI-LLVKDONJSA-N 0 3 335.408 1.827 20 5 EDBDHN CC1(C)OCC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293744570 303012942 /nfs/dbraw/zinc/01/29/42/303012942.db2.gz NUHKCLMSSRVWCA-CYBMUJFWSA-N 0 3 343.405 1.030 20 5 EDBDHN Cc1c(CC(=O)Nc2ccnn2CCN(C)C)cccc1[N+](=O)[O-] ZINC000294109807 303064046 /nfs/dbraw/zinc/06/40/46/303064046.db2.gz OXNOFVJHLBQOGV-UHFFFAOYSA-N 0 3 331.376 1.843 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000294146434 303069160 /nfs/dbraw/zinc/06/91/60/303069160.db2.gz RCMZGYJYORKVFJ-UHFFFAOYSA-N 0 3 336.327 1.327 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCN(CCCO)C1 ZINC000294688338 303136338 /nfs/dbraw/zinc/13/63/38/303136338.db2.gz BPRFZMAWJQLVFY-HNNXBMFYSA-N 0 3 337.420 1.930 20 5 EDBDHN CCn1cc([C@@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000295916785 303283165 /nfs/dbraw/zinc/28/31/65/303283165.db2.gz FCUAONLOQKJCDD-DOMZBBRYSA-N 0 3 334.376 1.902 20 5 EDBDHN Cc1n[nH]c(C(=O)NCc2ccccc2OCCN(C)C)c1[N+](=O)[O-] ZINC000299594438 303634036 /nfs/dbraw/zinc/63/40/36/303634036.db2.gz RCDZUFIBDWSCGH-UHFFFAOYSA-N 0 3 347.375 1.497 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428552114 305011564 /nfs/dbraw/zinc/01/15/64/305011564.db2.gz UNQVOQSUYGDPSF-CYBMUJFWSA-N 0 3 345.359 1.147 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CCN(C)C)c1 ZINC000429930418 305040451 /nfs/dbraw/zinc/04/04/51/305040451.db2.gz VEDFQKWZSHOGCH-HNNXBMFYSA-N 0 3 325.365 1.036 20 5 EDBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451773867 305368540 /nfs/dbraw/zinc/36/85/40/305368540.db2.gz NLBDMQYWXMYKIA-CABCVRRESA-N 0 3 349.387 1.879 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H]1COCC1(C)C ZINC000451805043 305370236 /nfs/dbraw/zinc/37/02/36/305370236.db2.gz AQAWNQNKEHATLC-YGRLFVJLSA-N 0 3 337.376 1.945 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1F ZINC000452350863 305391671 /nfs/dbraw/zinc/39/16/71/305391671.db2.gz OWZJBEMMLIXGDB-LBPRGKRZSA-N 0 3 325.340 1.311 20 5 EDBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548411930 306127359 /nfs/dbraw/zinc/12/73/59/306127359.db2.gz FUKVOYJVVDOXLG-UHFFFAOYSA-N 0 3 335.339 1.661 20 5 EDBDHN CC(C)(NC(=O)[C@@H]1CN2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000551815193 306162644 /nfs/dbraw/zinc/16/26/44/306162644.db2.gz IWFZDAOWZLXXOU-HNNXBMFYSA-N 0 3 332.404 1.336 20 5 EDBDHN NC[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000415423184 447422186 /nfs/dbraw/zinc/42/21/86/447422186.db2.gz GDVFGJONIKPSDP-CQSZACIVSA-N 0 3 334.376 1.557 20 5 EDBDHN Cc1nn(CC(=O)NC[C@@H](c2ccccc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000007391557 441050022 /nfs/dbraw/zinc/05/00/22/441050022.db2.gz NTLYSDVJOPDDLD-HNNXBMFYSA-N 0 3 345.403 1.827 20 5 EDBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000059389276 441229163 /nfs/dbraw/zinc/22/91/63/441229163.db2.gz YDNMLZMDHDTDKR-LBPRGKRZSA-N 0 3 337.380 1.941 20 5 EDBDHN Cc1cc(C)n(CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665200 441247756 /nfs/dbraw/zinc/24/77/56/441247756.db2.gz NTZUUUKZYNTIFW-AWEZNQCLSA-N 0 3 330.392 1.990 20 5 EDBDHN CC(=O)NCC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052849032 441480678 /nfs/dbraw/zinc/48/06/78/441480678.db2.gz MLUMWRLTASFATL-UHFFFAOYSA-N 0 3 348.403 1.772 20 5 EDBDHN CC1CCN(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000052873311 441484660 /nfs/dbraw/zinc/48/46/60/441484660.db2.gz YKHSYNVKCVAHDE-UHFFFAOYSA-N 0 3 346.431 1.975 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087301859 441485651 /nfs/dbraw/zinc/48/56/51/441485651.db2.gz AMQQEFXNUGBJJN-INIZCTEOSA-N 0 3 335.404 1.754 20 5 EDBDHN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108406169 441451254 /nfs/dbraw/zinc/45/12/54/441451254.db2.gz QWZSUTGMTHPJQB-LLVKDONJSA-N 0 3 343.405 1.224 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000108406699 441451940 /nfs/dbraw/zinc/45/19/40/441451940.db2.gz OBWWTDYRWOYFBH-GFCCVEGCSA-N 0 3 341.433 1.777 20 5 EDBDHN CN(C)[C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000109805464 441507862 /nfs/dbraw/zinc/50/78/62/441507862.db2.gz DHWLWIJLDHJWEP-JKSUJKDBSA-N 0 3 332.404 1.726 20 5 EDBDHN COc1ccc(CC(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000067903158 441694936 /nfs/dbraw/zinc/69/49/36/441694936.db2.gz VLHQSFJYFNNTBE-UHFFFAOYSA-N 0 3 333.388 1.889 20 5 EDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173486065 441765601 /nfs/dbraw/zinc/76/56/01/441765601.db2.gz BKPUWFKZGLNPSJ-AWEZNQCLSA-N 0 3 334.420 1.831 20 5 EDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCC(CN2CCN(C)CC2)CC1 ZINC000092622407 441814496 /nfs/dbraw/zinc/81/44/96/441814496.db2.gz IVLURJSXNQCJSF-UHFFFAOYSA-N 0 3 333.436 1.762 20 5 EDBDHN Cn1cc(CCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000118866985 441908750 /nfs/dbraw/zinc/90/87/50/441908750.db2.gz FKMDUZQVBPKSEE-CQSZACIVSA-N 0 3 330.392 1.842 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)c(F)c1 ZINC000146592199 441897216 /nfs/dbraw/zinc/89/72/16/441897216.db2.gz MVABWAJQCIMKHM-GFCCVEGCSA-N 0 3 343.380 1.593 20 5 EDBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000162042357 442058527 /nfs/dbraw/zinc/05/85/27/442058527.db2.gz RRFDVXLLOQTYHU-DGCLKSJQSA-N 0 3 339.392 1.927 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCN(C3CCOCC3)CC2)cc1 ZINC000175484886 442072208 /nfs/dbraw/zinc/07/22/08/442072208.db2.gz VYEGBUCXIAZUJO-UHFFFAOYSA-N 0 3 335.404 1.770 20 5 EDBDHN CCC1(CO)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000128159521 442249450 /nfs/dbraw/zinc/24/94/50/442249450.db2.gz JEBAVCYRXNDDFE-OAHLLOKOSA-N 0 3 338.404 1.819 20 5 EDBDHN CSCC[C@@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169192598 442226198 /nfs/dbraw/zinc/22/61/98/442226198.db2.gz UWGJORKXNAWJTQ-ZYHUDNBSSA-N 0 3 339.421 1.083 20 5 EDBDHN CN(C)[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000170863741 442278565 /nfs/dbraw/zinc/27/85/65/442278565.db2.gz SDNOXZGYGREPHJ-CQSZACIVSA-N 0 3 332.404 1.971 20 5 EDBDHN CN(C)CCN1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000129141829 442302802 /nfs/dbraw/zinc/30/28/02/442302802.db2.gz SUBWXQNFHYMDEM-UHFFFAOYSA-N 0 3 349.435 1.420 20 5 EDBDHN CC(C)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000155620528 442413619 /nfs/dbraw/zinc/41/36/19/442413619.db2.gz MANNDSQHVSPKQB-UHFFFAOYSA-N 0 3 335.813 1.867 20 5 EDBDHN CN(C)CCN(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000156228558 442456644 /nfs/dbraw/zinc/45/66/44/442456644.db2.gz WZZPITZKCKLJQV-UHFFFAOYSA-N 0 3 330.182 1.991 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)C1CCOCC1 ZINC000179850587 442512016 /nfs/dbraw/zinc/51/20/16/442512016.db2.gz JGWIKGLBZXAZPU-NSHDSACASA-N 0 3 337.376 1.947 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173087933 442601193 /nfs/dbraw/zinc/60/11/93/442601193.db2.gz UGTCCRWPSIETNP-UHFFFAOYSA-N 0 3 334.420 1.661 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)c2nonc21 ZINC000265480126 442789257 /nfs/dbraw/zinc/78/92/57/442789257.db2.gz GZRYFTHEFBMCAH-UHFFFAOYSA-N 0 3 347.375 1.680 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000268278853 442929024 /nfs/dbraw/zinc/92/90/24/442929024.db2.gz VDRAJCVMNQGBBR-FZMZJTMJSA-N 0 3 341.433 1.728 20 5 EDBDHN COc1cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265940852 442977065 /nfs/dbraw/zinc/97/70/65/442977065.db2.gz JEDUDDQLRGGGGA-DGCLKSJQSA-N 0 3 349.387 1.921 20 5 EDBDHN COCCN(C)CCCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000195420863 443016832 /nfs/dbraw/zinc/01/68/32/443016832.db2.gz XWKVZISUNNAOAZ-UHFFFAOYSA-N 0 3 325.365 1.302 20 5 EDBDHN Cc1cc(F)c(NC(=O)C(=O)NCC(C)(C)N(C)C)cc1[N+](=O)[O-] ZINC000295985019 318656394 /nfs/dbraw/zinc/65/63/94/318656394.db2.gz KKWTZGUZICWHKI-UHFFFAOYSA-N 0 3 340.355 1.437 20 5 EDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000266276203 443082848 /nfs/dbraw/zinc/08/28/48/443082848.db2.gz HVNZMDLZYFQNQH-LLVKDONJSA-N 0 3 345.396 1.839 20 5 EDBDHN CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(O)c1 ZINC000245430993 443227071 /nfs/dbraw/zinc/22/70/71/443227071.db2.gz NVABUKAZLDQLGW-WBMJQRKESA-N 0 3 334.376 1.941 20 5 EDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC=CC2)C1 ZINC000266861249 443270534 /nfs/dbraw/zinc/27/05/34/443270534.db2.gz ZBLXADFKYUUXTN-OAHLLOKOSA-N 0 3 330.388 1.793 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269501792 443328532 /nfs/dbraw/zinc/32/85/32/443328532.db2.gz BFCBNUNLKZHAAZ-AWEZNQCLSA-N 0 3 347.371 1.918 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[C@H]1CCC[NH2+]1 ZINC000420449684 319621102 /nfs/dbraw/zinc/62/11/02/319621102.db2.gz SWOOMNAPPVLXJV-GFCCVEGCSA-N 0 3 327.406 1.714 20 5 EDBDHN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCC[C@H]2C1 ZINC000283547733 443658142 /nfs/dbraw/zinc/65/81/42/443658142.db2.gz PQAOQTFIKBDKJB-AWEZNQCLSA-N 0 3 328.376 1.675 20 5 EDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000440075514 320061304 /nfs/dbraw/zinc/06/13/04/320061304.db2.gz HGRWSCPIYSULHK-LBPRGKRZSA-N 0 3 329.422 1.912 20 5 EDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCN1S(C)(=O)=O ZINC000449216712 320178770 /nfs/dbraw/zinc/17/87/70/320178770.db2.gz UTBZXORSFVFQAN-TZMCWYRMSA-N 0 3 341.433 1.539 20 5 EDBDHN Cc1c(C(=O)NC[C@@H](C)N(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000298346854 443751079 /nfs/dbraw/zinc/75/10/79/443751079.db2.gz KLJMGFWWKXDABA-SNVBAGLBSA-N 0 3 332.364 1.164 20 5 EDBDHN C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(C)C ZINC000298367051 443755656 /nfs/dbraw/zinc/75/56/56/443755656.db2.gz SLBFGWPQUDGYPW-ZDUSSCGKSA-N 0 3 334.420 1.878 20 5 EDBDHN C[C@@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000288428341 443877731 /nfs/dbraw/zinc/87/77/31/443877731.db2.gz XTVPWSMCVOJHKM-CZUORRHYSA-N 0 3 343.387 1.571 20 5 EDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCCN1C1CC1 ZINC000277314559 443961828 /nfs/dbraw/zinc/96/18/28/443961828.db2.gz DAMIBKJPKAQFLZ-ZDUSSCGKSA-N 0 3 336.396 1.107 20 5 EDBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285379701 443962138 /nfs/dbraw/zinc/96/21/38/443962138.db2.gz CSCGHQIFEIQLDG-ZDUSSCGKSA-N 0 3 329.360 1.712 20 5 EDBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000285880776 444139403 /nfs/dbraw/zinc/13/94/03/444139403.db2.gz JKTYCDRPGCGLKX-GDBMZVCRSA-N 0 3 335.404 1.769 20 5 EDBDHN Nc1nc(N2CC[C@H](OCCN3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000301735487 444188502 /nfs/dbraw/zinc/18/85/02/444188502.db2.gz HDXCLBYYEAZEKG-LBPRGKRZSA-N 0 3 336.396 1.048 20 5 EDBDHN Cc1ccc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000301800418 444190850 /nfs/dbraw/zinc/19/08/50/444190850.db2.gz BWDOSMVVODGIDF-HNNXBMFYSA-N 0 3 332.404 1.822 20 5 EDBDHN Cc1ccnc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000301827239 444192505 /nfs/dbraw/zinc/19/25/05/444192505.db2.gz PNIHFXNZARERPK-ZDUSSCGKSA-N 0 3 333.392 1.217 20 5 EDBDHN C[C@H]1CN(CCCCNc2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](C)O1 ZINC000301973355 444199189 /nfs/dbraw/zinc/19/91/89/444199189.db2.gz UVKVQTYQQKRCAA-STQMWFEESA-N 0 3 348.407 1.939 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2C(F)(F)F)c1 ZINC000325066997 444361664 /nfs/dbraw/zinc/36/16/64/444361664.db2.gz ZJVQYQGPXIRULB-GFCCVEGCSA-N 0 3 344.293 1.961 20 5 EDBDHN COc1c(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000331047693 444373028 /nfs/dbraw/zinc/37/30/28/444373028.db2.gz HALURTCQVBDNNP-STQMWFEESA-N 0 3 339.417 1.721 20 5 EDBDHN O=c1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2[nH]1 ZINC000579343515 321921698 /nfs/dbraw/zinc/92/16/98/321921698.db2.gz CIWHFMRHZCIAOX-ZDUSSCGKSA-N 0 3 343.343 1.196 20 5 EDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000331393181 444470126 /nfs/dbraw/zinc/47/01/26/444470126.db2.gz KRBKOXWHHKXHIS-QWHCGFSZSA-N 0 3 335.408 1.612 20 5 EDBDHN CC[C@@H](C[C@H](C)CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581429594 322176995 /nfs/dbraw/zinc/17/69/95/322176995.db2.gz RZSDVAZGEZGHGO-STQMWFEESA-N 0 3 344.433 1.755 20 5 EDBDHN CC1(C)NC(=O)CC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000338472627 444711756 /nfs/dbraw/zinc/71/17/56/444711756.db2.gz BWQPZIBYHHAMSL-ZDUSSCGKSA-N 0 3 335.360 1.608 20 5 EDBDHN CS[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000342539596 444736498 /nfs/dbraw/zinc/73/64/98/444736498.db2.gz GEPXMJDMJFJEFZ-CABCVRRESA-N 0 3 325.434 1.951 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCCC[NH3+] ZINC000336865039 444810670 /nfs/dbraw/zinc/81/06/70/444810670.db2.gz IQAQJQALBFXISX-JTQLQIEISA-N 0 3 331.394 1.399 20 5 EDBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000344455724 444984935 /nfs/dbraw/zinc/98/49/35/444984935.db2.gz FVPPVZXYIHWVGV-UHFFFAOYSA-N 0 3 348.403 1.267 20 5 EDBDHN CN(C)CC1(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCC1 ZINC000342027482 445131166 /nfs/dbraw/zinc/13/11/66/445131166.db2.gz VGCODBAZZPLBKU-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348173828 445303887 /nfs/dbraw/zinc/30/38/87/445303887.db2.gz WRJNGAOFRAFNJZ-NWDGAFQWSA-N 0 3 334.376 1.346 20 5 EDBDHN CC(=O)N1CCC(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000354623588 445318938 /nfs/dbraw/zinc/31/89/38/445318938.db2.gz QECCGTFERCTVLR-LLVKDONJSA-N 0 3 334.376 1.522 20 5 EDBDHN CN1CCN(CC2(C)CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000348217131 445319212 /nfs/dbraw/zinc/31/92/12/445319212.db2.gz FDCANEBPXRGXMK-UHFFFAOYSA-N 0 3 349.435 1.413 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000352128269 445511250 /nfs/dbraw/zinc/51/12/50/445511250.db2.gz BXCSJLGVVOEQGX-QGZVFWFLSA-N 0 3 346.387 1.576 20 5 EDBDHN Cc1c(Br)c(N2C[C@@H](N(C)C)[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000359980984 445512629 /nfs/dbraw/zinc/51/26/29/445512629.db2.gz JDMJXLMSTMBTCV-ZJUUUORDSA-N 0 3 345.197 1.172 20 5 EDBDHN C[C@@H]1[C@@H](N(C)CCO)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356047990 445589780 /nfs/dbraw/zinc/58/97/80/445589780.db2.gz OVFODMOMJZTSPL-RISCZKNCSA-N 0 3 346.387 1.603 20 5 EDBDHN CS(=O)(=O)N1CCCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000353103795 445575177 /nfs/dbraw/zinc/57/51/77/445575177.db2.gz TTXXFFMLDVZXDO-CQSZACIVSA-N 0 3 327.406 1.499 20 5 EDBDHN Cc1sc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000363103950 445679411 /nfs/dbraw/zinc/67/94/11/445679411.db2.gz LJYQTZCIFSWQSI-WDEREUQCSA-N 0 3 325.390 1.558 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000363217989 445726104 /nfs/dbraw/zinc/72/61/04/445726104.db2.gz DLIFGOZCZNYIJA-KRWDZBQOSA-N 0 3 348.447 1.815 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000353735154 445730838 /nfs/dbraw/zinc/73/08/38/445730838.db2.gz HJJCATDQOUNBSB-GFCCVEGCSA-N 0 3 326.349 1.253 20 5 EDBDHN COc1c(C(=O)NC[C@H](O)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000356448562 445794781 /nfs/dbraw/zinc/79/47/81/445794781.db2.gz RTAFSFMQQBRJEB-LBPRGKRZSA-N 0 3 337.376 1.180 20 5 EDBDHN CCCN1CCN(C2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000369155495 445958689 /nfs/dbraw/zinc/95/86/89/445958689.db2.gz LILPXIPTZGNKMH-UHFFFAOYSA-N 0 3 333.436 1.986 20 5 EDBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CCCC[C@@H]1C ZINC000354270919 446066729 /nfs/dbraw/zinc/06/67/29/446066729.db2.gz CIMHLIJNCBWSGB-QWHCGFSZSA-N 0 3 336.392 1.136 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351499573 446105152 /nfs/dbraw/zinc/10/51/52/446105152.db2.gz DQUYWSGMUMJTFW-LBPRGKRZSA-N 0 3 338.339 1.225 20 5 EDBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000362030301 446167018 /nfs/dbraw/zinc/16/70/18/446167018.db2.gz VXVWEDFXPHPABH-ARFHVFGLSA-N 0 3 349.387 1.484 20 5 EDBDHN NC(=O)c1ncn([C@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000370429537 446274851 /nfs/dbraw/zinc/27/48/51/446274851.db2.gz BDRXHTQFADLCKU-AWEZNQCLSA-N 0 3 344.375 1.165 20 5 EDBDHN Cc1ccc(C(=O)N2CCCN(CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000366687581 446311053 /nfs/dbraw/zinc/31/10/53/446311053.db2.gz WWPXHSIBVINTIA-UHFFFAOYSA-N 0 3 335.404 1.822 20 5 EDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CCN([C@H]2CCOC2)CC1 ZINC000370540846 446324535 /nfs/dbraw/zinc/32/45/35/446324535.db2.gz YAQVLAJAUCCNLO-JFDDCEBESA-N 0 3 345.399 1.978 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CNCCC1(F)F ZINC000420453776 446629998 /nfs/dbraw/zinc/62/99/98/446629998.db2.gz XNHZKWPVQZKBQH-NSHDSACASA-N 0 3 349.359 1.487 20 5 EDBDHN C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000418786084 446700824 /nfs/dbraw/zinc/70/08/24/446700824.db2.gz RSHOQABESQEWQJ-HUBLWGQQSA-N 0 3 348.403 1.358 20 5 EDBDHN C[N@@H+]1C[C@@H]2CN(C(=O)c3n[n-]cc3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000371301070 446755471 /nfs/dbraw/zinc/75/54/71/446755471.db2.gz DAGLCBSPNTVDEZ-XJKCOSOUSA-N 0 3 341.371 1.693 20 5 EDBDHN C[N@H+]1C[C@@H]2CN(C(=O)c3n[n-]cc3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000371301070 446755480 /nfs/dbraw/zinc/75/54/80/446755480.db2.gz DAGLCBSPNTVDEZ-XJKCOSOUSA-N 0 3 341.371 1.693 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000371359115 446803139 /nfs/dbraw/zinc/80/31/39/446803139.db2.gz GXCBCEYLOZNMGF-HOCLYGCPSA-N 0 3 346.431 1.693 20 5 EDBDHN CN1C[C@@H]2CCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425218571 447069309 /nfs/dbraw/zinc/06/93/09/447069309.db2.gz YJJRRFXUCBMEGQ-DZGCQCFKSA-N 0 3 339.417 1.451 20 5 EDBDHN O=C(CCN1CC[C@H](n2cncn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000368882333 447176827 /nfs/dbraw/zinc/17/68/27/447176827.db2.gz NGWYPYBXSPKAOD-LBPRGKRZSA-N 0 3 348.338 1.601 20 5 EDBDHN CCc1nn(C)c(N2CCCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000372591890 447167939 /nfs/dbraw/zinc/16/79/39/447167939.db2.gz HMGPWTYFUBLIQW-UHFFFAOYSA-N 0 3 325.413 1.174 20 5 EDBDHN Cc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(N)c([N+](=O)[O-])c1 ZINC000369020710 447268990 /nfs/dbraw/zinc/26/89/90/447268990.db2.gz ANZDQNPNRGSWQT-VXGBXAGGSA-N 0 3 334.376 1.078 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000420008970 447544200 /nfs/dbraw/zinc/54/42/00/447544200.db2.gz FBHARVYQIGISPE-KRWDZBQOSA-N 0 3 337.420 1.691 20 5 EDBDHN C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000451081253 447672880 /nfs/dbraw/zinc/67/28/80/447672880.db2.gz DCZUJXSFXOOSPX-AWEZNQCLSA-N 0 3 346.431 1.974 20 5 EDBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000458207024 447744629 /nfs/dbraw/zinc/74/46/29/447744629.db2.gz VEFVWSOZXLVYNY-UHFFFAOYSA-N 0 3 337.405 1.892 20 5 EDBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000458207024 447744633 /nfs/dbraw/zinc/74/46/33/447744633.db2.gz VEFVWSOZXLVYNY-UHFFFAOYSA-N 0 3 337.405 1.892 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2OC(F)F)c1 ZINC000570584797 448033463 /nfs/dbraw/zinc/03/34/63/448033463.db2.gz XQRIUTADWRGELP-GFCCVEGCSA-N 0 3 342.302 1.543 20 5 EDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCC1 ZINC000526120613 448102917 /nfs/dbraw/zinc/10/29/17/448102917.db2.gz DRGJGRJBVKRUHJ-UHFFFAOYSA-N 0 3 335.360 1.580 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531823631 448153811 /nfs/dbraw/zinc/15/38/11/448153811.db2.gz KJKSTQQFXCUAPP-CABZTGNLSA-N 0 3 333.344 1.536 20 5 EDBDHN CC(=O)N1CCN(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532446639 448262082 /nfs/dbraw/zinc/26/20/82/448262082.db2.gz FUSHYDMVQUUTOT-AWEZNQCLSA-N 0 3 334.420 1.718 20 5 EDBDHN C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000563373703 448298544 /nfs/dbraw/zinc/29/85/44/448298544.db2.gz KSWGOXJDBOYSAS-GFCCVEGCSA-N 0 3 343.387 1.822 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000579308490 448761590 /nfs/dbraw/zinc/76/15/90/448761590.db2.gz ZENHWOXPDTVQIL-GJZGRUSLSA-N 0 3 348.447 1.841 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(N)Cc2ccccc2C1 ZINC000592501903 448867750 /nfs/dbraw/zinc/86/77/50/448867750.db2.gz NNSJSPWUYNLTPT-UHFFFAOYSA-N 0 3 341.367 1.716 20 5 EDBDHN CCc1ccc(S(=O)(=O)NCCN(CC)CC)cc1[N+](=O)[O-] ZINC000574449294 448875730 /nfs/dbraw/zinc/87/57/30/448875730.db2.gz XWFXCQGUUMJKKX-UHFFFAOYSA-N 0 3 329.422 1.777 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588020933 448858401 /nfs/dbraw/zinc/85/84/01/448858401.db2.gz ZYZGITIUJPTSPF-LBPRGKRZSA-N 0 3 337.424 1.107 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCCC(F)(F)[C@H]1O ZINC000569223130 448983112 /nfs/dbraw/zinc/98/31/12/448983112.db2.gz RPJGTHZFZZKDPB-GYSYKLTISA-N 0 3 346.330 1.473 20 5 EDBDHN CC(C)(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCNCC1 ZINC000582358977 449073694 /nfs/dbraw/zinc/07/36/94/449073694.db2.gz FDAAKWBPMNRJAO-UHFFFAOYSA-N 0 3 340.811 1.548 20 5 EDBDHN Cc1cc(C(=O)N2CCOC3(CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592899386 449044026 /nfs/dbraw/zinc/04/40/26/449044026.db2.gz QIFOWXIUQNZKRS-UHFFFAOYSA-N 0 3 333.388 1.840 20 5 EDBDHN CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCN(C)C1 ZINC000597946354 449154475 /nfs/dbraw/zinc/15/44/75/449154475.db2.gz OYFPDKPGXGYXOM-SNVBAGLBSA-N 0 3 327.331 1.968 20 5 EDBDHN Cc1cc(NC(=O)N2CCN(CCN(C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593177674 449159002 /nfs/dbraw/zinc/15/90/02/449159002.db2.gz RHCVORCFRAFTDP-UHFFFAOYSA-N 0 3 349.391 1.141 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000590443565 449165912 /nfs/dbraw/zinc/16/59/12/449165912.db2.gz KTASRHILBUWXHM-WBMJQRKESA-N 0 3 341.371 1.557 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC1CC[NH2+]CC1 ZINC000593732418 449167875 /nfs/dbraw/zinc/16/78/75/449167875.db2.gz LMSDQECFNWZGCF-UHFFFAOYSA-N 0 3 327.406 1.571 20 5 EDBDHN COc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590403014 449149688 /nfs/dbraw/zinc/14/96/88/449149688.db2.gz WFTLWXTUJBDBRX-HIFRSBDPSA-N 0 3 349.387 1.539 20 5 EDBDHN COc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590590196 449205313 /nfs/dbraw/zinc/20/53/13/449205313.db2.gz VPCNBEKYMIDGQS-JQWIXIFHSA-N 0 3 343.405 1.317 20 5 EDBDHN COc1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1C ZINC000590548912 449184227 /nfs/dbraw/zinc/18/42/27/449184227.db2.gz HYXRXRGZXKXZMV-UONOGXRCSA-N 0 3 349.387 1.193 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595992977 449301960 /nfs/dbraw/zinc/30/19/60/449301960.db2.gz ZBQDUVDECKXWES-UHFFFAOYSA-N 0 3 345.359 1.404 20 5 EDBDHN Cc1cc(N2CC(N3CC[C@@H](O)C3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593502956 449312264 /nfs/dbraw/zinc/31/22/64/449312264.db2.gz GDDIAVNDMBEPQA-CQSZACIVSA-N 0 3 328.372 1.707 20 5 EDBDHN CC(C)(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000595949641 449275386 /nfs/dbraw/zinc/27/53/86/449275386.db2.gz XVYYKMMGYQFDDD-UHFFFAOYSA-N 0 3 345.359 1.143 20 5 EDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000596073066 449348041 /nfs/dbraw/zinc/34/80/41/449348041.db2.gz DLYHMAOAMMIWNY-UHFFFAOYSA-N 0 3 335.408 1.004 20 5 EDBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000611597674 449355676 /nfs/dbraw/zinc/35/56/76/449355676.db2.gz BBFKNFNMJAZEPC-UHFFFAOYSA-N 0 3 328.332 1.161 20 5 EDBDHN Cn1c2cc(N[C@H]3CCN(C4CC4)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596091050 449357966 /nfs/dbraw/zinc/35/79/66/449357966.db2.gz GDLVYRMFWNOJBZ-JTQLQIEISA-N 0 3 331.376 1.434 20 5 EDBDHN CCCN1CC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598343368 449358550 /nfs/dbraw/zinc/35/85/50/449358550.db2.gz WHFUPGLHQQTQMR-AWEZNQCLSA-N 0 3 348.403 1.315 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN1 ZINC000598573869 449471425 /nfs/dbraw/zinc/47/14/25/449471425.db2.gz QIQLJVQBRBKIIP-INIZCTEOSA-N 0 3 343.387 1.851 20 5 EDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393852 449490513 /nfs/dbraw/zinc/49/05/13/449490513.db2.gz RWHRVJMCCHBKDF-BHYGNILZSA-N 0 3 347.415 1.441 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@H](CN)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594451114 449526671 /nfs/dbraw/zinc/52/66/71/449526671.db2.gz KJMCQJWWOWROIB-SECBINFHSA-N 0 3 335.238 1.001 20 5 EDBDHN Cc1ccc(CC2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000594731981 449654728 /nfs/dbraw/zinc/65/47/28/449654728.db2.gz IFUPESDTHGXSRB-QGZVFWFLSA-N 0 3 330.388 1.635 20 5 EDBDHN COC(=O)c1cc(C)nc(N2C[C@@H]3CCN(C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000601184821 449739608 /nfs/dbraw/zinc/73/96/08/449739608.db2.gz OQAPCPSPLBBMFQ-NWDGAFQWSA-N 0 3 334.376 1.473 20 5 EDBDHN CN(C)CCOCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601137304 449710497 /nfs/dbraw/zinc/71/04/97/449710497.db2.gz ANTKLVMNZXMNPH-UHFFFAOYSA-N 0 3 325.291 1.337 20 5 EDBDHN C[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)N1CCCC1 ZINC000602646257 449725361 /nfs/dbraw/zinc/72/53/61/449725361.db2.gz BTZKPKHBECWSGR-ZDUSSCGKSA-N 0 3 347.419 1.559 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]CCC[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000601292205 449803127 /nfs/dbraw/zinc/80/31/27/449803127.db2.gz LTNNCEVRXWTSEV-UHFFFAOYSA-N 0 3 333.435 1.729 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000602828817 449840228 /nfs/dbraw/zinc/84/02/28/449840228.db2.gz UZBIBFDWEWXONS-QGZVFWFLSA-N 0 3 343.431 1.958 20 5 EDBDHN CN(C)CCCS(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601375530 449890053 /nfs/dbraw/zinc/89/00/53/449890053.db2.gz XBVSYSGJXRSUSG-UHFFFAOYSA-N 0 3 341.433 1.841 20 5 EDBDHN Cc1noc(CN2CC3(CCCC3)OC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000602909151 449913006 /nfs/dbraw/zinc/91/30/06/449913006.db2.gz ZLGZPXWIYJCOQI-CYBMUJFWSA-N 0 3 338.408 1.966 20 5 EDBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN(C)C ZINC000597653163 450172944 /nfs/dbraw/zinc/17/29/44/450172944.db2.gz HLUWLICLBJKYTQ-LLVKDONJSA-N 0 3 341.433 1.749 20 5 EDBDHN Cc1cc(N2CC[C@@H](NCCc3ccc([N+](=O)[O-])cc3)C2=O)n(C)n1 ZINC000610341432 450196941 /nfs/dbraw/zinc/19/69/41/450196941.db2.gz NUIJRLNURXKDTL-OAHLLOKOSA-N 0 3 343.387 1.574 20 5 EDBDHN COc1c(C(=O)N2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000619424775 450471127 /nfs/dbraw/zinc/47/11/27/450471127.db2.gz YFRYXTSGTLQOFU-UHFFFAOYSA-N 0 3 342.355 1.961 20 5 EDBDHN CC[C@H]1CN(C)CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000619567023 450507348 /nfs/dbraw/zinc/50/73/48/450507348.db2.gz ILCBZNZVHADVEQ-AWEZNQCLSA-N 0 3 348.403 1.267 20 5 EDBDHN CCN1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000171865619 529057675 /nfs/dbraw/zinc/05/76/75/529057675.db2.gz XUGYDQCBBVDDSO-LLVKDONJSA-N 0 3 344.371 1.650 20 5 EDBDHN CCN1CCN(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176487421 529146167 /nfs/dbraw/zinc/14/61/67/529146167.db2.gz SUDSOQKXOSZNIT-UHFFFAOYSA-N 0 3 340.811 1.616 20 5 EDBDHN CCN1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000332352283 535510212 /nfs/dbraw/zinc/51/02/12/535510212.db2.gz VRCLDROBIGTTGZ-UHFFFAOYSA-N 0 3 327.331 1.970 20 5 EDBDHN CC(C)[C@@H](CN(C)C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000733166497 578745569 /nfs/dbraw/zinc/74/55/69/578745569.db2.gz QSVUMGPMJWNVOK-CYBMUJFWSA-N 0 3 337.376 1.489 20 5 EDBDHN COC[C@@](C)(CC(=O)OC)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750108848 579752277 /nfs/dbraw/zinc/75/22/77/579752277.db2.gz WVQCRNKAPCCVRB-UKRRQHHQSA-N 0 3 326.349 1.186 20 5 EDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000768862236 580222864 /nfs/dbraw/zinc/22/28/64/580222864.db2.gz JKEBDMPKDXHSNY-CMPLNLGQSA-N 0 3 345.446 1.761 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000770222501 580255946 /nfs/dbraw/zinc/25/59/46/580255946.db2.gz LPVZDBXWBITDCR-CYBMUJFWSA-N 0 3 332.408 1.680 20 5 EDBDHN Cc1ccc([C@H](O)CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000783908936 580608147 /nfs/dbraw/zinc/60/81/47/580608147.db2.gz DUZDOXNOYNZBBF-NVXWUHKLSA-N 0 3 346.383 1.966 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000785801230 580653729 /nfs/dbraw/zinc/65/37/29/580653729.db2.gz QJVMBZSIXKDDAW-QWHCGFSZSA-N 0 3 334.376 1.230 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000898068770 591775856 /nfs/dbraw/zinc/77/58/56/591775856.db2.gz RCPLSALNECUTKJ-UXLLHSPISA-N 0 3 335.404 1.517 20 5 EDBDHN CN(C)CCn1nccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000901232228 592295561 /nfs/dbraw/zinc/29/55/61/592295561.db2.gz BTTGIWKYCDULLZ-UHFFFAOYSA-N 0 3 331.376 1.325 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H](O)Cc2ccccc2F)cc1 ZINC000905470934 592544717 /nfs/dbraw/zinc/54/47/17/592544717.db2.gz FIGORONATGEDCN-NVXWUHKLSA-N 0 3 334.347 1.961 20 5 EDBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C(C)C)CC1 ZINC000911499701 592932301 /nfs/dbraw/zinc/93/23/01/592932301.db2.gz GKKDPBZBSIQCRM-UHFFFAOYSA-N 0 3 349.435 1.991 20 5 EDBDHN CN(C)CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CC1 ZINC000807268192 593158055 /nfs/dbraw/zinc/15/80/55/593158055.db2.gz NEEPXVABUKIDFC-UHFFFAOYSA-N 0 3 335.389 1.766 20 5 EDBDHN CC(C)(NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000839590817 593345785 /nfs/dbraw/zinc/34/57/85/593345785.db2.gz ZPYXZQNDJBSOFI-UHFFFAOYSA-N 0 3 348.403 1.914 20 5 EDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000813101955 593517444 /nfs/dbraw/zinc/51/74/44/593517444.db2.gz LWRAIFBWGSVMKO-QMMMGPOBSA-N 0 3 335.276 1.306 20 5 EDBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813104633 593517679 /nfs/dbraw/zinc/51/76/79/593517679.db2.gz FNCVOQOMZNOKGM-UWVGGRQHSA-N 0 3 326.736 1.901 20 5 EDBDHN CC(COC(=O)c1sccc1S(=O)(=O)N1CCCC1)[N+](=O)[O-] ZINC000813104733 593517874 /nfs/dbraw/zinc/51/78/74/593517874.db2.gz QUXOUXUINAORMT-SECBINFHSA-N 0 3 348.402 1.355 20 5 EDBDHN CC(COC(=O)CCCOc1ccc(S(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813111143 593518382 /nfs/dbraw/zinc/51/83/82/593518382.db2.gz ONFVUDRTEONNOG-NSHDSACASA-N 0 3 345.373 1.458 20 5 EDBDHN CC(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)[N+](=O)[O-] ZINC000813115414 593518779 /nfs/dbraw/zinc/51/87/79/593518779.db2.gz RFSFAJIPTTZFIM-NSHDSACASA-N 0 3 345.355 1.945 20 5 EDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)[N+](=O)[O-] ZINC000813115161 593518812 /nfs/dbraw/zinc/51/88/12/593518812.db2.gz LLVIKYJSTNDQNA-RKDXNWHRSA-N 0 3 328.271 1.526 20 5 EDBDHN Cc1ccc(-n2cnnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112765 593518938 /nfs/dbraw/zinc/51/89/38/593518938.db2.gz KNMFQHJVCWBGAK-NSHDSACASA-N 0 3 336.373 1.876 20 5 EDBDHN Cc1c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000816952212 593562801 /nfs/dbraw/zinc/56/28/01/593562801.db2.gz FNYFUHZYLYTOIW-BXUZGUMPSA-N 0 3 348.359 1.896 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000817490064 593607601 /nfs/dbraw/zinc/60/76/01/593607601.db2.gz LPSYSAOUVZHOSN-GFCCVEGCSA-N 0 3 336.348 1.978 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)[C@H]2C1 ZINC000820263879 593804130 /nfs/dbraw/zinc/80/41/30/593804130.db2.gz INIDJEHADROSTE-XCBNKYQSSA-N 0 3 342.758 1.746 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCN1CCCO ZINC000823249955 594175885 /nfs/dbraw/zinc/17/58/85/594175885.db2.gz RQIRGYMQKFVGAB-AWEZNQCLSA-N 0 3 335.404 1.788 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000827079153 594636128 /nfs/dbraw/zinc/63/61/28/594636128.db2.gz WEURRDMSLLSEOD-AWEZNQCLSA-N 0 3 335.408 1.623 20 5 EDBDHN CCO[C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])CN(C)C ZINC000831756129 594699782 /nfs/dbraw/zinc/69/97/82/594699782.db2.gz BNMWCDWMSVOGHL-LBPRGKRZSA-N 0 3 325.365 1.300 20 5 EDBDHN Cc1cc(C(=O)Nc2cnn(CCN(C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000104150083 594845019 /nfs/dbraw/zinc/84/50/19/594845019.db2.gz PLTYSWQXMMEUBP-UHFFFAOYSA-N 0 3 332.364 1.496 20 5 EDBDHN COc1cc(Cc2noc(C[C@H]3CNCCO3)n2)ccc1[N+](=O)[O-] ZINC000843192936 595302325 /nfs/dbraw/zinc/30/23/25/595302325.db2.gz ZQMSKMTZIAMVEG-NSHDSACASA-N 0 3 334.332 1.108 20 5 EDBDHN NC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000848597534 595414662 /nfs/dbraw/zinc/41/46/62/595414662.db2.gz PCSPRYYUTGFNLQ-SECBINFHSA-N 0 3 340.689 1.937 20 5 EDBDHN CCN(C)C[C@@H](O)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000848674572 595426638 /nfs/dbraw/zinc/42/66/38/595426638.db2.gz GHNIWJGXTJJUII-SECBINFHSA-N 0 3 340.767 1.271 20 5 EDBDHN O=C([N-][C@H]1CCCC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764937 595599696 /nfs/dbraw/zinc/59/96/96/595599696.db2.gz FMKHNCCZIBNQSG-JTQLQIEISA-N 0 3 329.303 1.825 20 5 EDBDHN [NH3+]C1(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000857764957 595600149 /nfs/dbraw/zinc/60/01/49/595600149.db2.gz GFTFAIQGRQGCGX-UHFFFAOYSA-N 0 3 329.303 1.954 20 5 EDBDHN O=C1CCCN1C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852680718 596226167 /nfs/dbraw/zinc/22/61/67/596226167.db2.gz YFPZAVURCHCFPU-BBRMVZONSA-N 0 3 333.388 1.573 20 5 EDBDHN CC[C@H](NC(C)=O)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870454146 596249292 /nfs/dbraw/zinc/24/92/92/596249292.db2.gz HXRRTEUEUPQWRB-HERUPUMHSA-N 0 3 326.324 1.990 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]12COCCN1C(=O)COC2 ZINC000866555188 596249441 /nfs/dbraw/zinc/24/94/41/596249441.db2.gz KOGQBVZINGQQCM-GUYCJALGSA-N 0 3 349.387 1.182 20 5 EDBDHN CN1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCC1(C)C ZINC000871153851 596481478 /nfs/dbraw/zinc/48/14/78/596481478.db2.gz NWGXPTHAHFPGLU-UHFFFAOYSA-N 0 3 349.387 1.729 20 5 EDBDHN CN1CC[C@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000867805482 596559097 /nfs/dbraw/zinc/55/90/97/596559097.db2.gz ADQRGVMNBQZMPM-GXSJLCMTSA-N 0 3 331.419 1.371 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(NC[C@H]2CN3CCC[C@@H]3CO2)cc1F ZINC000865484756 596588076 /nfs/dbraw/zinc/58/80/76/596588076.db2.gz IPUSCPLUPPKLCP-NEPJUHHUSA-N 0 3 325.340 1.501 20 5 EDBDHN COCCN(CC1CCN(C)CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000869770217 596624893 /nfs/dbraw/zinc/62/48/93/596624893.db2.gz MJNVZCKHWCDNJL-UHFFFAOYSA-N 0 3 349.431 1.954 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(NC2CCN([C@@H]3CCOC3)CC2)cc1F ZINC000865623786 596629782 /nfs/dbraw/zinc/62/97/82/596629782.db2.gz FOKNTOYQNDJPNU-CYBMUJFWSA-N 0 3 339.367 1.891 20 5 EDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000874843565 597195968 /nfs/dbraw/zinc/19/59/68/597195968.db2.gz PWLNSYRKIFTWPJ-ZIAGYGMSSA-N 0 3 329.360 1.780 20 5 EDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CN1CCNCC1 ZINC000876569475 597244568 /nfs/dbraw/zinc/24/45/68/597244568.db2.gz YQOAJAYGMPWJDF-UHFFFAOYSA-N 0 3 326.784 1.112 20 5 EDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000877451237 597517361 /nfs/dbraw/zinc/51/73/61/597517361.db2.gz KUDAIUSQMDXKCA-BFYDXBDKSA-N 0 3 332.404 1.464 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)CCC2CC2)CC1 ZINC000940018917 700134214 /nfs/dbraw/zinc/13/42/14/700134214.db2.gz UJBWSXFIEIBKBE-UHFFFAOYSA-N 0 3 349.435 1.989 20 5 EDBDHN Cc1cccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000065977949 215002081 /nfs/dbraw/zinc/00/20/81/215002081.db2.gz YEZYMRYDTSBEPF-UHFFFAOYSA-N 0 3 349.412 1.971 20 5 EDBDHN C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC000102340985 219196393 /nfs/dbraw/zinc/19/63/93/219196393.db2.gz MLTLQFLJPXPQJP-ZDUSSCGKSA-N 0 3 337.424 1.763 20 5 EDBDHN CCN1CC[C@H](NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000412831009 304038518 /nfs/dbraw/zinc/03/85/18/304038518.db2.gz BTNLLESZRDQHKQ-LBPRGKRZSA-N 0 3 344.375 1.308 20 5 EDBDHN CCN1CC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000412835832 304039222 /nfs/dbraw/zinc/03/92/22/304039222.db2.gz GDDOTFAQQSNHIL-ZDUSSCGKSA-N 0 3 329.360 1.605 20 5 EDBDHN COC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183451327 235085550 /nfs/dbraw/zinc/08/55/50/235085550.db2.gz VKBCCXIRLGPQHZ-AWEZNQCLSA-N 0 3 328.390 1.383 20 5 EDBDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041663395 138103440 /nfs/dbraw/zinc/10/34/40/138103440.db2.gz UHZABOONNHYYMQ-LBPRGKRZSA-N 0 3 334.376 1.524 20 5 EDBDHN CCOc1cc(N2CCN(C)C[C@@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000413496123 304063508 /nfs/dbraw/zinc/06/35/08/304063508.db2.gz KBPCMJWNTCHUGD-GFCCVEGCSA-N 0 3 337.376 1.535 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[NH2+]C1CC1 ZINC000036267338 213080614 /nfs/dbraw/zinc/08/06/14/213080614.db2.gz SPDFCPJEUMQNFK-UHFFFAOYSA-N 0 3 333.797 1.669 20 5 EDBDHN CCN1CC[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000413822758 304078066 /nfs/dbraw/zinc/07/80/66/304078066.db2.gz YLOMXHNVILGQJX-CQSZACIVSA-N 0 3 347.419 1.521 20 5 EDBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129613683 223074838 /nfs/dbraw/zinc/07/48/38/223074838.db2.gz XWYFEHHUQBNWBS-HNNXBMFYSA-N 0 3 335.404 1.628 20 5 EDBDHN CCOc1ccc([C@H](C)NC[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414201245 304105729 /nfs/dbraw/zinc/10/57/29/304105729.db2.gz XWMLGHIAFFKXDZ-AAEUAGOBSA-N 0 3 335.364 1.297 20 5 EDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000566018848 306396917 /nfs/dbraw/zinc/39/69/17/306396917.db2.gz QOTDHSOTPUPSAN-QGZVFWFLSA-N 0 3 345.355 1.528 20 5 EDBDHN O=C(COC(=O)C1CCN(C2CC2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000195452267 139016883 /nfs/dbraw/zinc/01/68/83/139016883.db2.gz OJEPEMOZUDMMFM-UHFFFAOYSA-N 0 3 347.371 1.951 20 5 EDBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000236678823 139028354 /nfs/dbraw/zinc/02/83/54/139028354.db2.gz BSICYVHAIFLVDY-JTQLQIEISA-N 0 3 331.394 1.399 20 5 EDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000246105566 139094996 /nfs/dbraw/zinc/09/49/96/139094996.db2.gz BLHPSSJVIXUARV-SWLSCSKDSA-N 0 3 348.403 1.123 20 5 EDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000247346022 139145567 /nfs/dbraw/zinc/14/55/67/139145567.db2.gz HVQVSFFPGDFAIB-QWRGUYRKSA-N 0 3 345.446 1.761 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000248374180 139161128 /nfs/dbraw/zinc/16/11/28/139161128.db2.gz OJDGFSQQBSAEFW-ZIAGYGMSSA-N 0 3 346.387 1.937 20 5 EDBDHN COc1ccccc1[C@H]1CNCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000261636023 139213231 /nfs/dbraw/zinc/21/32/31/139213231.db2.gz FIAZGBPBJXPYKB-CQSZACIVSA-N 0 3 331.376 1.446 20 5 EDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000261730397 139221302 /nfs/dbraw/zinc/22/13/02/139221302.db2.gz ROWUROXUQLENQK-SUYBPPKGSA-N 0 3 333.388 1.744 20 5 EDBDHN Cn1ccnc1[C@H]1CNCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000261795888 139226732 /nfs/dbraw/zinc/22/67/32/139226732.db2.gz QWYRCCQACIMLIQ-OAHLLOKOSA-N 0 3 331.376 1.354 20 5 EDBDHN Cc1c(C(=O)N2CCN[C@@H](C)[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262868715 139309245 /nfs/dbraw/zinc/30/92/45/139309245.db2.gz UUBGDTVSCCMGLO-WDEREUQCSA-N 0 3 344.375 1.306 20 5 EDBDHN Cn1nnc2cc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc21 ZINC000488714036 255049970 /nfs/dbraw/zinc/04/99/70/255049970.db2.gz MQFMQKVMDMYYDN-UHFFFAOYSA-N 0 3 341.375 1.910 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491508306 255127693 /nfs/dbraw/zinc/12/76/93/255127693.db2.gz WYWQUWZVHSVHAC-KXPUMZMLSA-N 0 3 333.388 1.835 20 5 EDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCN1CCO ZINC000493767575 255221384 /nfs/dbraw/zinc/22/13/84/255221384.db2.gz BFVZHAVMEXDNIO-XITLMJRVSA-N 0 3 333.388 1.571 20 5 EDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@]1(O)CN2CCC1CC2 ZINC000493121937 255192681 /nfs/dbraw/zinc/19/26/81/255192681.db2.gz SHLLBOROSMWGDF-CHYADLBTSA-N 0 3 331.372 1.181 20 5 EDBDHN COc1cc(CN[C@@H]2CCn3ccnc3C2)c([N+](=O)[O-])cc1OC ZINC000494433738 255250743 /nfs/dbraw/zinc/25/07/43/255250743.db2.gz DXWVOOSYDPQITG-GFCCVEGCSA-N 0 3 332.360 1.913 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000178492017 533218740 /nfs/dbraw/zinc/21/87/40/533218740.db2.gz PAURCKXDWHGGLV-CQSZACIVSA-N 0 3 335.404 1.758 20 5 EDBDHN COCCN(CCN(C)C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000264234798 139389033 /nfs/dbraw/zinc/38/90/33/139389033.db2.gz YUMYFDUJNQKLES-UHFFFAOYSA-N 0 3 338.408 1.433 20 5 EDBDHN CC[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570786968 306550711 /nfs/dbraw/zinc/55/07/11/306550711.db2.gz JFRRLHFXPJIWJV-JSGCOSHPSA-N 0 3 342.417 1.916 20 5 EDBDHN Cc1cc(CN(C)C)cc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000270384183 140090190 /nfs/dbraw/zinc/09/01/90/140090190.db2.gz OZDQSXOZHWLGGS-UHFFFAOYSA-N 0 3 344.371 1.765 20 5 EDBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270765778 140164613 /nfs/dbraw/zinc/16/46/13/140164613.db2.gz GPSHMAKPROKEDG-LBPRGKRZSA-N 0 3 337.424 1.959 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000271028865 140223632 /nfs/dbraw/zinc/22/36/32/140223632.db2.gz PBXALGOZPMLMDD-GFCCVEGCSA-N 0 3 337.424 1.679 20 5 EDBDHN COc1cccc(C2(NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000271746068 140343465 /nfs/dbraw/zinc/34/34/65/140343465.db2.gz XNUKITIUBIZNDP-AWEZNQCLSA-N 0 3 332.360 1.440 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2[C@H](C1)OCCN2C ZINC000331888936 141094410 /nfs/dbraw/zinc/09/44/10/141094410.db2.gz GEZUVDILIACYIH-CVEARBPZSA-N 0 3 348.403 1.247 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCN1C ZINC000332657494 141224371 /nfs/dbraw/zinc/22/43/71/141224371.db2.gz JRZLOLFEPMEVRU-RYUDHWBXSA-N 0 3 344.375 1.388 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000416494473 304324155 /nfs/dbraw/zinc/32/41/55/304324155.db2.gz IVJFMJIBEBIXPU-GFCCVEGCSA-N 0 3 327.406 1.442 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346259931 143184377 /nfs/dbraw/zinc/18/43/77/143184377.db2.gz KGHSPBUSCBNWEI-GZBFAFLISA-N 0 3 349.435 1.679 20 5 EDBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347050687 143276694 /nfs/dbraw/zinc/27/66/94/143276694.db2.gz RCGYNYHWZXYNAH-NJZAAPMLSA-N 0 3 338.360 1.218 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N(C)CCO)[C@H]1C ZINC000347169179 143290379 /nfs/dbraw/zinc/29/03/79/143290379.db2.gz NIEWBGUMDMZXJR-RISCZKNCSA-N 0 3 337.376 1.131 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](C)[C@H](C)OC)cc1[N+](=O)[O-] ZINC000353132582 149298746 /nfs/dbraw/zinc/29/87/46/149298746.db2.gz WDFPZYGWDUUHRK-QWRGUYRKSA-N 0 3 326.349 1.660 20 5 EDBDHN COC(=O)COc1ccc(CNC(C)(C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000353242231 149336706 /nfs/dbraw/zinc/33/67/06/149336706.db2.gz YRZHSHBVCVIFIY-JTQLQIEISA-N 0 3 326.349 1.396 20 5 EDBDHN CN(C)Cc1ccc(-c2noc(Cn3cnc([N+](=O)[O-])n3)n2)cc1 ZINC000355600176 150331785 /nfs/dbraw/zinc/33/17/85/150331785.db2.gz UUDCTNBWUIFFQF-UHFFFAOYSA-N 0 3 329.320 1.346 20 5 EDBDHN CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000355682825 150359263 /nfs/dbraw/zinc/35/92/63/150359263.db2.gz MKKJMVCPNVHNRR-LBPRGKRZSA-N 0 3 330.182 1.836 20 5 EDBDHN O=C(NC1CCCCC1)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000370026008 155287215 /nfs/dbraw/zinc/28/72/15/155287215.db2.gz HVMVLEMCEXTQAT-UHFFFAOYSA-N 0 3 349.435 1.952 20 5 EDBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1)N(C)C ZINC000357853698 151173389 /nfs/dbraw/zinc/17/33/89/151173389.db2.gz CNJGDRARXXKJTR-CXAGYDPISA-N 0 3 345.403 1.907 20 5 EDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(=O)NCC(F)F ZINC000360919253 152251687 /nfs/dbraw/zinc/25/16/87/152251687.db2.gz MFCGIHXWLIYUPB-SECBINFHSA-N 0 3 344.318 1.283 20 5 EDBDHN O=C1NCCN1[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363636496 153018977 /nfs/dbraw/zinc/01/89/77/153018977.db2.gz BXJKRGXYDNYMCB-HNNXBMFYSA-N 0 3 348.403 1.853 20 5 EDBDHN CN(C)C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000363880733 153083378 /nfs/dbraw/zinc/08/33/78/153083378.db2.gz XVLRHWMPUDIDHL-AWEZNQCLSA-N 0 3 331.376 1.621 20 5 EDBDHN COC(=O)[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000374070075 157130101 /nfs/dbraw/zinc/13/01/01/157130101.db2.gz RMXCIUKEVOKFEJ-JKSUJKDBSA-N 0 3 344.371 1.680 20 5 EDBDHN Nc1c(C(=O)NC[C@@H]2NCCc3ccccc32)cc(F)cc1[N+](=O)[O-] ZINC000375969612 157702865 /nfs/dbraw/zinc/70/28/65/157702865.db2.gz QDMITKPZKQNSKP-AWEZNQCLSA-N 0 3 344.346 1.933 20 5 EDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000366205631 162372080 /nfs/dbraw/zinc/37/20/80/162372080.db2.gz YIKYQPLNFORDQP-LAQIPUCWSA-N 0 3 345.399 1.978 20 5 EDBDHN C[C@@H]1NCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000418082728 304455986 /nfs/dbraw/zinc/45/59/86/304455986.db2.gz JRTMELLDFDJZCC-UWVGGRQHSA-N 0 3 332.364 1.363 20 5 EDBDHN CC(C)c1ccc(CNCC2CN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000189709139 272967945 /nfs/dbraw/zinc/96/79/45/272967945.db2.gz ZNIAEQYVQIFZNJ-UHFFFAOYSA-N 0 3 341.433 1.699 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000274470701 268145152 /nfs/dbraw/zinc/14/51/52/268145152.db2.gz MIHGPZSIQSRHCN-LLVKDONJSA-N 0 3 338.437 1.742 20 5 EDBDHN CCN(CCO)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000274612724 268169055 /nfs/dbraw/zinc/16/90/55/268169055.db2.gz ZQURJUYGQSYYGL-UHFFFAOYSA-N 0 3 331.319 1.117 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCC1 ZINC000275449848 268344472 /nfs/dbraw/zinc/34/44/72/268344472.db2.gz IGMDOIHQTKADLH-UHFFFAOYSA-N 0 3 327.406 1.666 20 5 EDBDHN CCN(CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000044669942 272911134 /nfs/dbraw/zinc/91/11/34/272911134.db2.gz KWMJBOCDPKYGFE-MRXNPFEDSA-N 0 3 345.403 1.991 20 5 EDBDHN CC(C)NS(=O)(=O)NCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000277127906 273181707 /nfs/dbraw/zinc/18/17/07/273181707.db2.gz OEVATYYOFHAIEL-NSHDSACASA-N 0 3 330.410 1.078 20 5 EDBDHN COc1ccc(CN[C@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000283825841 273975315 /nfs/dbraw/zinc/97/53/15/273975315.db2.gz DPGPNMVHVIYEOV-WFASDCNBSA-N 0 3 326.393 1.851 20 5 EDBDHN COC(=O)c1cn(CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000284315256 274157601 /nfs/dbraw/zinc/15/76/01/274157601.db2.gz JSNDMUKCOLKGOQ-CQSZACIVSA-N 0 3 345.359 1.640 20 5 EDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@](O)(Cn3ccnn3)C2)cc1 ZINC000284633044 274272503 /nfs/dbraw/zinc/27/25/03/274272503.db2.gz SXYFNAVVRXSTFM-INIZCTEOSA-N 0 3 331.376 1.256 20 5 EDBDHN Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000284697512 274298325 /nfs/dbraw/zinc/29/83/25/274298325.db2.gz YLYSTMTWCSYCOF-CZUORRHYSA-N 0 3 329.360 1.438 20 5 EDBDHN CN1CCO[C@@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000284767342 274324004 /nfs/dbraw/zinc/32/40/04/274324004.db2.gz MLLICJZIDRCBBX-JKSUJKDBSA-N 0 3 348.403 1.328 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255047594 287828244 /nfs/dbraw/zinc/82/82/44/287828244.db2.gz LFWKJSXTTYKTEO-ZPIQOJFGSA-N 0 3 346.431 1.750 20 5 EDBDHN CCO[C@H]1C[C@](N)(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186725592 276366902 /nfs/dbraw/zinc/36/69/02/276366902.db2.gz ZTKJWFXYRJKFHZ-YOEHRIQHSA-N 0 3 335.404 1.786 20 5 EDBDHN CC(C)(C(=O)N1CC[C@@H](N2CCCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000332110012 277122767 /nfs/dbraw/zinc/12/27/67/277122767.db2.gz FUHZMVYYDMOSBY-CYBMUJFWSA-N 0 3 335.408 1.613 20 5 EDBDHN CCN(CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000263795782 279205529 /nfs/dbraw/zinc/20/55/29/279205529.db2.gz YDLPXBZVHDNOHU-UHFFFAOYSA-N 0 3 337.376 1.826 20 5 EDBDHN O=c1[nH]c(N2CC[C@@H](N3CC=CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000287133452 288163445 /nfs/dbraw/zinc/16/34/45/288163445.db2.gz DHUJFWNEWISSIG-GFCCVEGCSA-N 0 3 327.344 1.694 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)N[C@H]2CNCC[C@H]2C)cc1[N+](=O)[O-] ZINC000193401091 280396740 /nfs/dbraw/zinc/39/67/40/280396740.db2.gz UWJCKUKXBDNCDX-SKDRFNHKSA-N 0 3 327.406 1.488 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000268269509 288238885 /nfs/dbraw/zinc/23/88/85/288238885.db2.gz SNAGULFLXSAMJW-SKDRFNHKSA-N 0 3 347.824 1.819 20 5 EDBDHN C[C@@H](CN(C)C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000287980408 288372725 /nfs/dbraw/zinc/37/27/25/288372725.db2.gz JRUUHSKOCYKXIO-ZDUSSCGKSA-N 0 3 335.408 1.377 20 5 EDBDHN NC(=O)CCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090552889 295039015 /nfs/dbraw/zinc/03/90/15/295039015.db2.gz OLPGABUILIOQAT-UHFFFAOYSA-N 0 3 344.371 1.134 20 5 EDBDHN Cc1cc(Cl)c(C(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000295442169 303219859 /nfs/dbraw/zinc/21/98/59/303219859.db2.gz NEIPKBYKQXIAPF-CQSZACIVSA-N 0 3 329.784 1.599 20 5 EDBDHN CN(C)CCNC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000299636962 303640925 /nfs/dbraw/zinc/64/09/25/303640925.db2.gz VBBOKWYNZLWNCX-UHFFFAOYSA-N 0 3 334.420 1.485 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2Cc3cccc(O)c3C2)c1 ZINC000429238162 305026340 /nfs/dbraw/zinc/02/63/40/305026340.db2.gz QWHXIPVQRKAVBG-HIFRSBDPSA-N 0 3 344.367 1.797 20 5 EDBDHN C[C@H]1CN(CCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000432859299 305096334 /nfs/dbraw/zinc/09/63/34/305096334.db2.gz NMBCODFGPUMAKR-LBPRGKRZSA-N 0 3 336.392 1.607 20 5 EDBDHN Cc1c(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000442164179 305226549 /nfs/dbraw/zinc/22/65/49/305226549.db2.gz QXECWKQUCIAXQA-JQWIXIFHSA-N 0 3 334.376 1.441 20 5 EDBDHN C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000442327785 305228844 /nfs/dbraw/zinc/22/88/44/305228844.db2.gz BOGFAVROIYWDKF-NSHDSACASA-N 0 3 332.360 1.300 20 5 EDBDHN CN(C)C(=O)CCN1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000443498297 305238755 /nfs/dbraw/zinc/23/87/55/305238755.db2.gz FVEUHJUHLFIUPJ-UHFFFAOYSA-N 0 3 327.410 1.406 20 5 EDBDHN O=[N+]([O-])c1c(NC[C@H]2CCCCN2CCO)nc2sccn21 ZINC000450610156 305330932 /nfs/dbraw/zinc/33/09/32/305330932.db2.gz GPPDMNWOXVZDJS-SNVBAGLBSA-N 0 3 325.394 1.563 20 5 EDBDHN CCCN1CCC(N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525128588 305822570 /nfs/dbraw/zinc/82/25/70/305822570.db2.gz XLPQZENDZJEQKD-UHFFFAOYSA-N 0 3 342.421 1.485 20 5 EDBDHN Cn1ccnc1[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000536069267 306019471 /nfs/dbraw/zinc/01/94/71/306019471.db2.gz YIIBCZBWZSFOLM-HIFRSBDPSA-N 0 3 346.387 1.558 20 5 EDBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000545183991 306081480 /nfs/dbraw/zinc/08/14/80/306081480.db2.gz WZDILVVYTICHAP-UHFFFAOYSA-N 0 3 344.437 1.732 20 5 EDBDHN CSc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000556976578 306222481 /nfs/dbraw/zinc/22/24/81/306222481.db2.gz CEZMYBDVTVGWLM-RYUDHWBXSA-N 0 3 325.390 1.064 20 5 EDBDHN CN1CCNC[C@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414959445 447374585 /nfs/dbraw/zinc/37/45/85/447374585.db2.gz FOFDJTVVCDXCEG-HNNXBMFYSA-N 0 3 330.388 1.848 20 5 EDBDHN Cc1[nH+]ccn1CCCNC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000080375390 441165431 /nfs/dbraw/zinc/16/54/31/441165431.db2.gz RVJGXHLLCZQBSR-UHFFFAOYSA-N 0 3 328.332 1.796 20 5 EDBDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000104748009 441203473 /nfs/dbraw/zinc/20/34/73/441203473.db2.gz IUDFTFPCKRWHFG-JTQLQIEISA-N 0 3 347.824 1.820 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000104748475 441203525 /nfs/dbraw/zinc/20/35/25/441203525.db2.gz NSXVRKUHZKBCQJ-NSHDSACASA-N 0 3 343.405 1.176 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000108334162 441445309 /nfs/dbraw/zinc/44/53/09/441445309.db2.gz BKUOMTNSTJNGEE-ZDUSSCGKSA-N 0 3 343.387 1.852 20 5 EDBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000107261422 441405471 /nfs/dbraw/zinc/40/54/71/441405471.db2.gz CNSHIQACMVCQGX-UHFFFAOYSA-N 0 3 346.391 1.236 20 5 EDBDHN CN(CCCNC(=O)CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000065770938 441483553 /nfs/dbraw/zinc/48/35/53/441483553.db2.gz NREOXYKXSBKTPQ-UHFFFAOYSA-N 0 3 345.403 1.820 20 5 EDBDHN CN1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000108406058 441451556 /nfs/dbraw/zinc/45/15/56/441451556.db2.gz KQVAFFUBYJBSSE-JTQLQIEISA-N 0 3 331.369 1.354 20 5 EDBDHN CCN1CCN(CCC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000075158432 441504817 /nfs/dbraw/zinc/50/48/17/441504817.db2.gz SBNDEHJSUCWEDT-UHFFFAOYSA-N 0 3 334.420 1.281 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC[C@@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000109849501 441510725 /nfs/dbraw/zinc/51/07/25/441510725.db2.gz USLMAMIILSAQAC-NSHDSACASA-N 0 3 335.360 1.453 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc3c(c2)OCO3)c1 ZINC000038287724 441614486 /nfs/dbraw/zinc/61/44/86/441614486.db2.gz INFFCHJODFKSFI-AWEZNQCLSA-N 0 3 346.339 1.853 20 5 EDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000068340742 441778684 /nfs/dbraw/zinc/77/86/84/441778684.db2.gz UNPCWYXFDKZRFS-MRXNPFEDSA-N 0 3 343.387 1.947 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1C(=O)N(C)C ZINC000150336826 441931930 /nfs/dbraw/zinc/93/19/30/441931930.db2.gz NIEDIVSQEOHDEH-HNNXBMFYSA-N 0 3 348.403 1.784 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000069499345 441953979 /nfs/dbraw/zinc/95/39/79/441953979.db2.gz FANGYZKOCGEXOY-LBPRGKRZSA-N 0 3 337.376 1.444 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(N2CCCC[C@@H](N3CCN(C)CC3)C2)n1 ZINC000127055543 442166054 /nfs/dbraw/zinc/16/60/54/442166054.db2.gz NHLQORMTPISHJD-OAHLLOKOSA-N 0 3 333.436 1.905 20 5 EDBDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176217496 442194029 /nfs/dbraw/zinc/19/40/29/442194029.db2.gz GQENTZHEMPHFDF-ZIAGYGMSSA-N 0 3 337.424 1.808 20 5 EDBDHN CCN(C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1)CC(F)(F)F ZINC000176395604 442217509 /nfs/dbraw/zinc/21/75/09/442217509.db2.gz OYICGHZEHVAVCV-GFCCVEGCSA-N 0 3 349.357 1.997 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(C3CCOCC3)CC2)c1 ZINC000153328282 442275763 /nfs/dbraw/zinc/27/57/63/442275763.db2.gz GOFYDTGLPBSOHG-MRXNPFEDSA-N 0 3 338.408 1.291 20 5 EDBDHN Cc1cc(NC(=O)NCC2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000153845580 442307004 /nfs/dbraw/zinc/30/70/04/442307004.db2.gz JOOBLQZIJWIXGA-UHFFFAOYSA-N 0 3 336.392 1.729 20 5 EDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000171129494 442317558 /nfs/dbraw/zinc/31/75/58/442317558.db2.gz YOWSKQPWLGDYJO-UHFFFAOYSA-N 0 3 340.336 1.119 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000177584553 442359680 /nfs/dbraw/zinc/35/96/80/442359680.db2.gz BQHCDZAVZFCTBO-OAHLLOKOSA-N 0 3 338.408 1.841 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)C[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000134148869 442452948 /nfs/dbraw/zinc/45/29/48/442452948.db2.gz RGDPUBTUFBXOOU-CYBMUJFWSA-N 0 3 348.403 1.642 20 5 EDBDHN CC[C@H](O)CN(Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000134509652 442488966 /nfs/dbraw/zinc/48/89/66/442488966.db2.gz NTYSJXMDYPJVND-IRXDYDNUSA-N 0 3 348.403 1.425 20 5 EDBDHN O=C(NCC1(N2CCSCC2)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000135859083 442637236 /nfs/dbraw/zinc/63/72/36/442637236.db2.gz AKTANRPKWYAINP-UHFFFAOYSA-N 0 3 339.421 1.409 20 5 EDBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(CO)CO ZINC000135933971 442642318 /nfs/dbraw/zinc/64/23/18/442642318.db2.gz ONKQMRFOIJKDSH-UHFFFAOYSA-N 0 3 349.387 1.715 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000192922516 442698205 /nfs/dbraw/zinc/69/82/05/442698205.db2.gz CNTCHEJWLDJOCT-TXEJJXNPSA-N 0 3 325.390 1.085 20 5 EDBDHN Cc1cc(N2CCCN(CCO)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181501999 442700358 /nfs/dbraw/zinc/70/03/58/442700358.db2.gz WWJXZASCOYHAMY-UHFFFAOYSA-N 0 3 330.388 1.956 20 5 EDBDHN CC(=O)Nc1cccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000193430162 442742253 /nfs/dbraw/zinc/74/22/53/442742253.db2.gz NMUXYISJDSTYHN-BDJLRTHQSA-N 0 3 347.375 1.461 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000265514338 442803953 /nfs/dbraw/zinc/80/39/53/442803953.db2.gz GPUNKCQZHCAXMM-TZMCWYRMSA-N 0 3 336.392 1.676 20 5 EDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000182434035 442766496 /nfs/dbraw/zinc/76/64/96/442766496.db2.gz AMNMDZUDFLVANW-LBPRGKRZSA-N 0 3 342.417 1.773 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000265559029 442823287 /nfs/dbraw/zinc/82/32/87/442823287.db2.gz FNQCWMNXYTZIMS-UHFFFAOYSA-N 0 3 346.387 1.653 20 5 EDBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1n[nH]c2c1CNCC2 ZINC000188981857 442853991 /nfs/dbraw/zinc/85/39/91/442853991.db2.gz OLCNMLLKHKTDGW-UHFFFAOYSA-N 0 3 327.304 1.092 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000268262698 442923382 /nfs/dbraw/zinc/92/33/82/442923382.db2.gz ZPWKZCSUDIKRPO-ZUZCIYMTSA-N 0 3 347.371 1.594 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000268303716 442939653 /nfs/dbraw/zinc/93/96/53/442939653.db2.gz XPRMJJHYIYOYOX-MWLCHTKSSA-N 0 3 331.369 1.305 20 5 EDBDHN COC(=O)[C@]1(C)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000268340110 442954275 /nfs/dbraw/zinc/95/42/75/442954275.db2.gz KWCNKYGJBUXNKU-XJKSGUPXSA-N 0 3 338.360 1.220 20 5 EDBDHN Cc1nc([C@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000268421333 442983059 /nfs/dbraw/zinc/98/30/59/442983059.db2.gz CSIWJBSYUSQYIX-ZDUSSCGKSA-N 0 3 344.375 1.500 20 5 EDBDHN Cc1n[nH]c([C@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000268421333 442983063 /nfs/dbraw/zinc/98/30/63/442983063.db2.gz CSIWJBSYUSQYIX-ZDUSSCGKSA-N 0 3 344.375 1.500 20 5 EDBDHN Cc1nnc([C@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)[nH]1 ZINC000268421333 442983068 /nfs/dbraw/zinc/98/30/68/442983068.db2.gz CSIWJBSYUSQYIX-ZDUSSCGKSA-N 0 3 344.375 1.500 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189782454 443009540 /nfs/dbraw/zinc/00/95/40/443009540.db2.gz CYVFUFRHEKHCFF-UHFFFAOYSA-N 0 3 329.422 1.832 20 5 EDBDHN COC(=O)CC1(NCCOc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000268473610 443001219 /nfs/dbraw/zinc/00/12/19/443001219.db2.gz RMOGWSMAUQWANE-UHFFFAOYSA-N 0 3 338.360 1.676 20 5 EDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000266441753 443127072 /nfs/dbraw/zinc/12/70/72/443127072.db2.gz MUVHSFPRUOWNHG-SKDRFNHKSA-N 0 3 326.303 1.781 20 5 EDBDHN COc1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000266510138 443151449 /nfs/dbraw/zinc/15/14/49/443151449.db2.gz DDCOQRGMJMEENK-HNNXBMFYSA-N 0 3 334.376 1.601 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000266752226 443229459 /nfs/dbraw/zinc/22/94/59/443229459.db2.gz OHCNLPDNMDARRF-HNNXBMFYSA-N 0 3 346.387 1.937 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272582585 443371015 /nfs/dbraw/zinc/37/10/15/443371015.db2.gz GXBKKCBWNBGZFJ-UKRRQHHQSA-N 0 3 333.388 1.916 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@H]2C1 ZINC000272661948 443400667 /nfs/dbraw/zinc/40/06/67/443400667.db2.gz ROQJJSJKSDUKJI-MFKMUULPSA-N 0 3 333.344 1.490 20 5 EDBDHN CN(C)C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000272830323 443459557 /nfs/dbraw/zinc/45/95/57/443459557.db2.gz KWKJBNIDTUEBLQ-SECBINFHSA-N 0 3 333.435 1.448 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(CC1)OCCO2 ZINC000272975342 443508265 /nfs/dbraw/zinc/50/82/65/443508265.db2.gz CGCOHQGQEUQDCS-ZDUSSCGKSA-N 0 3 338.360 1.173 20 5 EDBDHN COc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000273040028 443525953 /nfs/dbraw/zinc/52/59/53/443525953.db2.gz WACGUKQLRUMDCX-NSHDSACASA-N 0 3 349.387 1.992 20 5 EDBDHN CCN1CCN(CC(C)(C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000449744980 320204056 /nfs/dbraw/zinc/20/40/56/320204056.db2.gz KNFUQLIIWMGWOZ-UHFFFAOYSA-N 0 3 336.436 1.806 20 5 EDBDHN COCCOCCOCCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000276245249 443675940 /nfs/dbraw/zinc/67/59/40/443675940.db2.gz MRAVQJGKXRBBBP-UHFFFAOYSA-N 0 3 326.393 1.749 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](N3CCCC3)C[C@H]2C)n1 ZINC000286363859 443698360 /nfs/dbraw/zinc/69/83/60/443698360.db2.gz NIYFTMASDFCJGM-NEPJUHHUSA-N 0 3 334.376 1.839 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000298274607 443736064 /nfs/dbraw/zinc/73/60/64/443736064.db2.gz WVIFUCWMFNFZFT-UHFFFAOYSA-N 0 3 348.403 1.784 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000288428335 443878063 /nfs/dbraw/zinc/87/80/63/443878063.db2.gz XTVPWSMCVOJHKM-BBRMVZONSA-N 0 3 343.387 1.571 20 5 EDBDHN Cc1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000281727175 443990288 /nfs/dbraw/zinc/99/02/88/443990288.db2.gz IXSZGPNBNZOCHJ-UHFFFAOYSA-N 0 3 349.435 1.241 20 5 EDBDHN Cc1nn(C)cc1[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000553094003 320935724 /nfs/dbraw/zinc/93/57/24/320935724.db2.gz RPBQUTAVHCCRGA-RISCZKNCSA-N 0 3 334.376 1.727 20 5 EDBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCC(=O)N[C@@H]2C)cccc1[N+](=O)[O-] ZINC000282044147 444070790 /nfs/dbraw/zinc/07/07/90/444070790.db2.gz ATTIOLGYCWGXRV-MDZLAQPJSA-N 0 3 334.376 1.487 20 5 EDBDHN CC[C@@H]1CN(C)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000564881095 321153950 /nfs/dbraw/zinc/15/39/50/321153950.db2.gz NZBQAUVMUAXKMY-CYBMUJFWSA-N 0 3 348.403 1.919 20 5 EDBDHN NC[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000565538286 321190277 /nfs/dbraw/zinc/19/02/77/321190277.db2.gz CVIGKGVURDRILH-MRXNPFEDSA-N 0 3 347.396 1.842 20 5 EDBDHN O=C(N[C@H]1CNCCC1(F)F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000566211738 321222564 /nfs/dbraw/zinc/22/25/64/321222564.db2.gz JNMQHUKKBWGLIJ-NSHDSACASA-N 0 3 343.286 1.093 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCC2(CC1)NC(=O)NC2=O ZINC000566973892 321237867 /nfs/dbraw/zinc/23/78/67/321237867.db2.gz PHIWLNXFAQVIBS-UHFFFAOYSA-N 0 3 348.359 1.214 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000299635554 444102115 /nfs/dbraw/zinc/10/21/15/444102115.db2.gz KGSWJJJSAKDFIR-GFCCVEGCSA-N 0 3 346.387 1.608 20 5 EDBDHN COc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301971430 444198758 /nfs/dbraw/zinc/19/87/58/444198758.db2.gz SIQRNFJBWZCLSG-HNNXBMFYSA-N 0 3 348.403 1.522 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@](C)(C(N)=O)C(C)C ZINC000297782676 444333995 /nfs/dbraw/zinc/33/39/95/444333995.db2.gz WHPHQEMAETXNFM-MRXNPFEDSA-N 0 3 336.392 1.721 20 5 EDBDHN CS(=O)(=O)N1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000579239091 321906182 /nfs/dbraw/zinc/90/61/82/321906182.db2.gz IXDQSYVWXHKBDX-IUODEOHRSA-N 0 3 339.417 1.596 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342235303 444579805 /nfs/dbraw/zinc/57/98/05/444579805.db2.gz QJMYUFBAHQVKOZ-UWVGGRQHSA-N 0 3 330.287 1.890 20 5 EDBDHN C[C@@H]1[C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCN1C ZINC000342738859 444842386 /nfs/dbraw/zinc/84/23/86/444842386.db2.gz OGCMGLGXCVGFOP-WQVCFCJDSA-N 0 3 332.404 1.772 20 5 EDBDHN C[C@H](NCC(=O)NC1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000341573713 444902371 /nfs/dbraw/zinc/90/23/71/444902371.db2.gz MSBSPOSHNIOZSV-ZDUSSCGKSA-N 0 3 346.431 1.988 20 5 EDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)C(=O)NCCF ZINC000337482117 445099515 /nfs/dbraw/zinc/09/95/15/445099515.db2.gz RBXRFNXKYVVPOC-GHMZBOCLSA-N 0 3 340.355 1.376 20 5 EDBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000330871120 445174409 /nfs/dbraw/zinc/17/44/09/445174409.db2.gz QWZBTMFUBAIXKJ-GFCCVEGCSA-N 0 3 327.406 1.605 20 5 EDBDHN CN(CCN1CCCC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000343430279 445221410 /nfs/dbraw/zinc/22/14/10/445221410.db2.gz AZOZIBAUHFWXRQ-UHFFFAOYSA-N 0 3 343.387 1.948 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCCN1C ZINC000343533285 445239712 /nfs/dbraw/zinc/23/97/12/445239712.db2.gz WPPJUAVMSVRUSZ-YPMHNXCESA-N 0 3 344.375 1.388 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)N(C)C1 ZINC000343579585 445249888 /nfs/dbraw/zinc/24/98/88/445249888.db2.gz KDNFLUGJDQBGRD-VXGBXAGGSA-N 0 3 340.355 1.917 20 5 EDBDHN COc1ccc(CNC(=O)N[C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343644877 445279357 /nfs/dbraw/zinc/27/93/57/445279357.db2.gz BHZZOQADOJJDKG-AAEUAGOBSA-N 0 3 336.392 1.885 20 5 EDBDHN O=C1CNCCN1[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000362824721 445567240 /nfs/dbraw/zinc/56/72/40/445567240.db2.gz BKBFFDSZNPZAGP-MRXNPFEDSA-N 0 3 332.404 1.034 20 5 EDBDHN CN(C)CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000356274215 445712265 /nfs/dbraw/zinc/71/22/65/445712265.db2.gz FTMFCFNXIQTWLE-UHFFFAOYSA-N 0 3 348.403 1.267 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000353768205 445745736 /nfs/dbraw/zinc/74/57/36/445745736.db2.gz NMGAEENDKLITQY-QWHCGFSZSA-N 0 3 336.344 1.173 20 5 EDBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)Cc1ccccc1 ZINC000356473329 445809774 /nfs/dbraw/zinc/80/97/74/445809774.db2.gz DRIUHYAHDBKYTK-ZDUSSCGKSA-N 0 3 331.376 1.231 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000369263276 446029518 /nfs/dbraw/zinc/02/95/18/446029518.db2.gz DMRHIANYIUHMDT-IRXDYDNUSA-N 0 3 335.404 1.505 20 5 EDBDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000362016955 446156221 /nfs/dbraw/zinc/15/62/21/446156221.db2.gz BCWLVZXNSHYSGX-BYCMXARLSA-N 0 3 337.376 1.705 20 5 EDBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccco1 ZINC000359537008 446280492 /nfs/dbraw/zinc/28/04/92/446280492.db2.gz FVDHAODXJWYVTQ-WDEREUQCSA-N 0 3 335.364 1.781 20 5 EDBDHN CC(C)(O)CN1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000366684429 446308504 /nfs/dbraw/zinc/30/85/04/446308504.db2.gz KXBYWDPCCXBJOS-BQYQJAHWSA-N 0 3 347.415 1.913 20 5 EDBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000365713572 446311191 /nfs/dbraw/zinc/31/11/91/446311191.db2.gz SDJJJZJIGMYVCD-LBPRGKRZSA-N 0 3 345.359 1.696 20 5 EDBDHN CCc1ccc([C@H](CO)NCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000359623754 446325057 /nfs/dbraw/zinc/32/50/57/446325057.db2.gz FKJXPWQAKLZEFH-INIZCTEOSA-N 0 3 331.372 1.642 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN3CCC2CC3)c1 ZINC000373937941 446343664 /nfs/dbraw/zinc/34/36/64/446343664.db2.gz KOXTYDGIPFCTEG-UHFFFAOYSA-N 0 3 333.388 1.979 20 5 EDBDHN CN1CCC[C@H](N2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)C1 ZINC000374806497 446401890 /nfs/dbraw/zinc/40/18/90/446401890.db2.gz MGEFSZBWGNVZPT-ZDUSSCGKSA-N 0 3 347.419 1.029 20 5 EDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CNCCC1(F)F ZINC000423691581 446643482 /nfs/dbraw/zinc/64/34/82/446643482.db2.gz FCAQCULXQNJUGW-LLVKDONJSA-N 0 3 329.303 1.721 20 5 EDBDHN CN(C(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000375279007 446690406 /nfs/dbraw/zinc/69/04/06/446690406.db2.gz DPNMXMFUPBZXPE-RHSMWYFYSA-N 0 3 346.387 1.204 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](n2cncn2)C1 ZINC000375320148 446718486 /nfs/dbraw/zinc/71/84/86/446718486.db2.gz QZPMEISEGGXKOM-CQSZACIVSA-N 0 3 344.375 1.770 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)N(C)C2CC2)c1F ZINC000411978492 446771107 /nfs/dbraw/zinc/77/11/07/446771107.db2.gz LIZWMCDFEFUXCV-SNVBAGLBSA-N 0 3 339.367 1.884 20 5 EDBDHN O=C1[C@H](N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000412031498 446792747 /nfs/dbraw/zinc/79/27/47/446792747.db2.gz ATOSAHQUFSEMCL-UWWPHRKUSA-N 0 3 345.399 1.793 20 5 EDBDHN C[C@@H]1CCCN(CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000439094563 446806099 /nfs/dbraw/zinc/80/60/99/446806099.db2.gz BTCMWVXJUCUMBC-LLVKDONJSA-N 0 3 331.376 2.387 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](O)CC12CCC2 ZINC000420988897 446966368 /nfs/dbraw/zinc/96/63/68/446966368.db2.gz BDQFZRCFKAZXHQ-KBPBESRZSA-N 0 3 336.388 1.714 20 5 EDBDHN CON1CCC(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000421212055 447069208 /nfs/dbraw/zinc/06/92/08/447069208.db2.gz WLISDBWRPCQPFG-LBPRGKRZSA-N 0 3 336.392 1.846 20 5 EDBDHN CS[C@@H]1CC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000425341034 447121231 /nfs/dbraw/zinc/12/12/31/447121231.db2.gz FMSBSUJKXWYHRI-QWHCGFSZSA-N 0 3 345.446 1.357 20 5 EDBDHN CCN(CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000444176123 447089203 /nfs/dbraw/zinc/08/92/03/447089203.db2.gz NPHLLBJIMNGRSQ-UHFFFAOYSA-N 0 3 329.422 1.912 20 5 EDBDHN CNc1nc(C(=O)N[C@H]2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455552886 447165877 /nfs/dbraw/zinc/16/58/77/447165877.db2.gz LKMDDQXPSKRBLV-NSHDSACASA-N 0 3 333.392 1.778 20 5 EDBDHN O=C(CN1CC[C@@H](c2nc[nH]n2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000425551241 447226413 /nfs/dbraw/zinc/22/64/13/447226413.db2.gz QCTHXWRQRRJZLU-GFCCVEGCSA-N 0 3 342.359 1.092 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000446832246 447259043 /nfs/dbraw/zinc/25/90/43/447259043.db2.gz NVGRMCREJJJBFA-AWEZNQCLSA-N 0 3 340.376 1.643 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000446832247 447259074 /nfs/dbraw/zinc/25/90/74/447259074.db2.gz NVGRMCREJJJBFA-CQSZACIVSA-N 0 3 340.376 1.643 20 5 EDBDHN CNc1nc(C(=O)N(CCN(C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000455930504 447260495 /nfs/dbraw/zinc/26/04/95/447260495.db2.gz ILGRHHMILPVUFP-UHFFFAOYSA-N 0 3 347.375 1.829 20 5 EDBDHN C[C@H](CN1CCN(C)CC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450316582 447452084 /nfs/dbraw/zinc/45/20/84/447452084.db2.gz HSMDWGPASHHANY-CYBMUJFWSA-N 0 3 329.404 2.191 20 5 EDBDHN CNC(=O)c1ccc(NC[C@H]2CCCCN2CCO)c([N+](=O)[O-])c1 ZINC000450613251 447537616 /nfs/dbraw/zinc/53/76/16/447537616.db2.gz LGYGROKHELMNSR-CYBMUJFWSA-N 0 3 336.392 1.213 20 5 EDBDHN CN(C)CCOCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450649624 447548118 /nfs/dbraw/zinc/54/81/18/447548118.db2.gz JNRKXUKGENTEMK-UHFFFAOYSA-N 0 3 347.375 1.293 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCN(C)C2)c1C ZINC000416499103 447626672 /nfs/dbraw/zinc/62/66/72/447626672.db2.gz ZSPAWMJNTRDGCM-LBPRGKRZSA-N 0 3 327.406 1.442 20 5 EDBDHN C[N@H+](CCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000416503043 447629456 /nfs/dbraw/zinc/62/94/56/447629456.db2.gz UDBJPTPADJWJRQ-UHFFFAOYSA-N 0 3 327.406 1.748 20 5 EDBDHN C[N@@H+](CCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000416503043 447629458 /nfs/dbraw/zinc/62/94/58/447629458.db2.gz UDBJPTPADJWJRQ-UHFFFAOYSA-N 0 3 327.406 1.748 20 5 EDBDHN C[C@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000555345766 448073457 /nfs/dbraw/zinc/07/34/57/448073457.db2.gz WKGFUJMTGNTROU-STQMWFEESA-N 0 3 336.392 1.609 20 5 EDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000500409388 448087139 /nfs/dbraw/zinc/08/71/39/448087139.db2.gz JZFRTVSWBSNDQD-GLQYFDAESA-N 0 3 343.387 1.590 20 5 EDBDHN O=C(NCC(F)(F)F)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000531342907 448066251 /nfs/dbraw/zinc/06/62/51/448066251.db2.gz IEHVUMXJQKQVSS-UHFFFAOYSA-N 0 3 349.313 1.182 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531821408 448153056 /nfs/dbraw/zinc/15/30/56/448153056.db2.gz KHUOTFVGOZEXPP-YGRLFVJLSA-N 0 3 347.371 1.579 20 5 EDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cnc2c(c1)CNCC2 ZINC000591310961 448319037 /nfs/dbraw/zinc/31/90/37/448319037.db2.gz URKDYYKNFVSRQT-UHFFFAOYSA-N 0 3 341.371 2.000 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1C[C@@H](O)C1(C)C ZINC000577408982 448292239 /nfs/dbraw/zinc/29/22/39/448292239.db2.gz MLPICFMRAAVLNW-CUOATXAZSA-N 0 3 337.376 1.679 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCNCC2(C)C)cc1OC ZINC000591678349 448445889 /nfs/dbraw/zinc/44/58/89/448445889.db2.gz PZEOIPXBAUIOFR-UHFFFAOYSA-N 0 3 337.376 1.826 20 5 EDBDHN COc1cc(C(=O)NC[C@@H](C)N2CCCC2)c([N+](=O)[O-])cc1F ZINC000573194640 448564984 /nfs/dbraw/zinc/56/49/84/448564984.db2.gz MYXYBODWJQZUGI-SNVBAGLBSA-N 0 3 325.340 1.957 20 5 EDBDHN CCN1CC[C@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000573385254 448614161 /nfs/dbraw/zinc/61/41/61/448614161.db2.gz SQGYLKADNIRZGS-AAEUAGOBSA-N 0 3 335.408 1.834 20 5 EDBDHN CC(C)Oc1nc(N[C@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000584790897 448634643 /nfs/dbraw/zinc/63/46/43/448634643.db2.gz XAERCXRBMVCKSW-ZDUSSCGKSA-N 0 3 338.408 2.036 20 5 EDBDHN C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCN1C ZINC000587985127 448850431 /nfs/dbraw/zinc/85/04/31/448850431.db2.gz WNLCQOIVXWROEG-MNOVXSKESA-N 0 3 333.392 1.680 20 5 EDBDHN CCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCN(C)C1 ZINC000592832589 449008566 /nfs/dbraw/zinc/00/85/66/449008566.db2.gz UFXOZLYDTCZMFK-AWEZNQCLSA-N 0 3 337.424 1.741 20 5 EDBDHN CCC[N@H+](CC)C[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000522037781 449045945 /nfs/dbraw/zinc/04/59/45/449045945.db2.gz PVCLPAFUKJFTHC-NSHDSACASA-N 0 3 330.410 1.389 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000522188176 449061914 /nfs/dbraw/zinc/06/19/14/449061914.db2.gz FVNLQJXAZIWCCZ-CYBMUJFWSA-N 0 3 349.435 1.392 20 5 EDBDHN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599939721 449118025 /nfs/dbraw/zinc/11/80/25/449118025.db2.gz YIFUAYLVDVPABM-RYUDHWBXSA-N 0 3 344.371 1.357 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590282229 449124684 /nfs/dbraw/zinc/12/46/84/449124684.db2.gz ULTIIYWEPMGWTD-BXUZGUMPSA-N 0 3 332.360 1.004 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](CO)CN1CCCCC1 ZINC000593701382 449152441 /nfs/dbraw/zinc/15/24/41/449152441.db2.gz HEUZVEZFFMRGBO-AWEZNQCLSA-N 0 3 339.367 1.239 20 5 EDBDHN C[C@]12COC[C@H]1CN([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000595759962 449152674 /nfs/dbraw/zinc/15/26/74/449152674.db2.gz RNAKLVGSPIGQGJ-VMGRFDJRSA-N 0 3 331.372 1.668 20 5 EDBDHN Cc1c(NC(=O)CCN2CCC(=O)N(C)CC2)cccc1[N+](=O)[O-] ZINC000595771810 449157645 /nfs/dbraw/zinc/15/76/45/449157645.db2.gz GDWJJFLPXFVWFI-UHFFFAOYSA-N 0 3 334.376 1.396 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000590446438 449167101 /nfs/dbraw/zinc/16/71/01/449167101.db2.gz TZJDZZMEVKLMLZ-BBRMVZONSA-N 0 3 332.404 1.949 20 5 EDBDHN CSc1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC000590371976 449138979 /nfs/dbraw/zinc/13/89/79/449138979.db2.gz RPRCBJJSGFMCTJ-GFCCVEGCSA-N 0 3 339.417 1.503 20 5 EDBDHN Nc1c(C(=O)N2CCC(N3CCCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000600007717 449146275 /nfs/dbraw/zinc/14/62/75/449146275.db2.gz YMVGKVPOOMXAKC-UHFFFAOYSA-N 0 3 348.403 1.504 20 5 EDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000590398796 449147599 /nfs/dbraw/zinc/14/75/99/449147599.db2.gz ALQYRPYICSMIEH-HOTGVXAUSA-N 0 3 349.387 1.295 20 5 EDBDHN Cc1c(CC(=O)N2CC(CN3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000590398925 449147932 /nfs/dbraw/zinc/14/79/32/449147932.db2.gz BQLUZXZGVBWUEM-UHFFFAOYSA-N 0 3 346.431 1.152 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000590589072 449204818 /nfs/dbraw/zinc/20/48/18/449204818.db2.gz LKMLSBPPLDUOHI-PWSUYJOCSA-N 0 3 343.405 1.317 20 5 EDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000590563914 449191958 /nfs/dbraw/zinc/19/19/58/449191958.db2.gz VSFONUWTLODSQX-OCCSQVGLSA-N 0 3 334.376 1.112 20 5 EDBDHN N[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[C@H]1F ZINC000596021829 449321372 /nfs/dbraw/zinc/32/13/72/449321372.db2.gz OCTCRZVEUUVHIR-GHMZBOCLSA-N 0 3 342.346 1.446 20 5 EDBDHN Nc1ccc(NCC2(N3CCSCC3)CCCC2)nc1[N+](=O)[O-] ZINC000596074540 449349804 /nfs/dbraw/zinc/34/98/04/449349804.db2.gz ULDVIFZKUNDDET-UHFFFAOYSA-N 0 3 337.449 2.346 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000598343405 449358397 /nfs/dbraw/zinc/35/83/97/449358397.db2.gz UJTXBZOVFNAJRH-GFCCVEGCSA-N 0 3 344.375 1.390 20 5 EDBDHN Cn1cc(CN2CCOC3(CNC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596104377 449363497 /nfs/dbraw/zinc/36/34/97/449363497.db2.gz DEIITBHKCIKBGF-UHFFFAOYSA-N 0 3 343.387 1.170 20 5 EDBDHN CCN1C[C@@H](C)N(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000596178811 449399825 /nfs/dbraw/zinc/39/98/25/449399825.db2.gz SKZQCIKKFZZHAZ-GHMZBOCLSA-N 0 3 342.421 1.161 20 5 EDBDHN Nc1ccc(NCC2CCN(c3ccncc3)CC2)nc1[N+](=O)[O-] ZINC000596184556 449401558 /nfs/dbraw/zinc/40/15/58/449401558.db2.gz MBYVWAJKHTWEDK-UHFFFAOYSA-N 0 3 328.376 2.296 20 5 EDBDHN CC[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H](C)N1 ZINC000598536579 449453112 /nfs/dbraw/zinc/45/31/12/449453112.db2.gz SSVKSGCXUHSHTN-GXTWGEPZSA-N 0 3 343.387 1.993 20 5 EDBDHN CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000596289405 449458028 /nfs/dbraw/zinc/45/80/28/449458028.db2.gz PEDHAYBVAUUWBW-AWEZNQCLSA-N 0 3 336.392 1.709 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598601682 449486025 /nfs/dbraw/zinc/48/60/25/449486025.db2.gz MNJCQMUENVPALP-CYBMUJFWSA-N 0 3 341.433 1.926 20 5 EDBDHN CC(C)[C@@H]1CNCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000602527840 449651945 /nfs/dbraw/zinc/65/19/45/449651945.db2.gz MKDLQYADNHNHNU-INIZCTEOSA-N 0 3 343.387 1.851 20 5 EDBDHN Cc1cncc(CCNC[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000594731950 449655521 /nfs/dbraw/zinc/65/55/21/449655521.db2.gz HORXIPUWWVMNOA-AWEZNQCLSA-N 0 3 332.360 1.265 20 5 EDBDHN CN(C)[C@@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598896202 449634138 /nfs/dbraw/zinc/63/41/38/449634138.db2.gz GKGPZMHNFFWMSC-CQSZACIVSA-N 0 3 349.391 1.269 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598905355 449641462 /nfs/dbraw/zinc/64/14/62/449641462.db2.gz SLTDLCDLJHUEOV-CQSZACIVSA-N 0 3 349.391 1.269 20 5 EDBDHN Cn1cc(CNCCN2CC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599010701 449697966 /nfs/dbraw/zinc/69/79/66/449697966.db2.gz VTAFDBIVLNUWEQ-MRXNPFEDSA-N 0 3 345.403 1.152 20 5 EDBDHN CCOC1CC(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000602610571 449702949 /nfs/dbraw/zinc/70/29/49/449702949.db2.gz BTILIHMFRFQVBN-UHFFFAOYSA-N 0 3 342.417 1.773 20 5 EDBDHN COC(=O)c1cc(C)nc(NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599163655 449772179 /nfs/dbraw/zinc/77/21/79/449772179.db2.gz GKTXSNLEUIVEPC-CYBMUJFWSA-N 0 3 348.403 2.514 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([NH3+])CCCC2)cc1C ZINC000595120853 449880995 /nfs/dbraw/zinc/88/09/95/449880995.db2.gz ZAOKWUCQKZPZGH-UHFFFAOYSA-N 0 3 327.406 1.761 20 5 EDBDHN Cc1cc(S(=O)(=O)NC[C@H]2CCCCN(C)C2)ccc1[N+](=O)[O-] ZINC000599416115 449962873 /nfs/dbraw/zinc/96/28/73/449962873.db2.gz SSLNJUJFRADAAK-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610177404 450150312 /nfs/dbraw/zinc/15/03/12/450150312.db2.gz KEXLRLVJSMZEKY-BXUZGUMPSA-N 0 3 349.387 1.778 20 5 EDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN(C)C ZINC000597652680 450172129 /nfs/dbraw/zinc/17/21/29/450172129.db2.gz DSBFRLUICNPTGF-JTQLQIEISA-N 0 3 327.406 1.359 20 5 EDBDHN O=C(CNC1(CCO)CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595507917 450196711 /nfs/dbraw/zinc/19/67/11/450196711.db2.gz DMXLOPBQAKLCBH-UHFFFAOYSA-N 0 3 333.388 1.769 20 5 EDBDHN CCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)cc1[N+](=O)[O-] ZINC000603314141 450237963 /nfs/dbraw/zinc/23/79/63/450237963.db2.gz NHLHXQZYYGEMBM-ZIAGYGMSSA-N 0 3 341.433 1.918 20 5 EDBDHN COc1cc([N+](=O)[O-])cn(CCCN2CCN(C(C)C)CC2)c1=O ZINC000603357549 450261248 /nfs/dbraw/zinc/26/12/48/450261248.db2.gz DWEGXVOHNRWNLX-UHFFFAOYSA-N 0 3 338.408 1.181 20 5 EDBDHN O=C([C@@H](C1CC1)N1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618869091 450325211 /nfs/dbraw/zinc/32/52/11/450325211.db2.gz QCORPMDURYBRGY-MRXNPFEDSA-N 0 3 347.419 1.829 20 5 EDBDHN COc1c(C(=O)NC2CCN([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000619439840 450473519 /nfs/dbraw/zinc/47/35/19/450473519.db2.gz PSCNZQCQZPKRJX-ZDUSSCGKSA-N 0 3 349.387 1.587 20 5 EDBDHN Cc1cccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000184311477 534615013 /nfs/dbraw/zinc/61/50/13/534615013.db2.gz WQKVTUIAEFEWEF-AWEZNQCLSA-N 0 3 334.420 1.659 20 5 EDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155136433 528259497 /nfs/dbraw/zinc/25/94/97/528259497.db2.gz RGGDGXOZDAMMIN-OAHLLOKOSA-N 0 3 341.433 1.841 20 5 EDBDHN CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000353311578 535996321 /nfs/dbraw/zinc/99/63/21/535996321.db2.gz ATDUGTQVIVOZPH-HNNXBMFYSA-N 0 3 346.387 1.020 20 5 EDBDHN CN(C)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000126143625 536029733 /nfs/dbraw/zinc/02/97/33/536029733.db2.gz DDZJYWDBVZVMBZ-UHFFFAOYSA-N 0 3 344.371 1.135 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000124614961 536759972 /nfs/dbraw/zinc/75/99/72/536759972.db2.gz NLJCIWHCRVXUDO-INIZCTEOSA-N 0 3 337.376 1.779 20 5 EDBDHN CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCN(C2CC2)C1 ZINC000732188508 578696190 /nfs/dbraw/zinc/69/61/90/578696190.db2.gz JYNAOWWRPYXEKZ-INIZCTEOSA-N 0 3 342.403 1.979 20 5 EDBDHN CC(C)[C@@H](CN(C)C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000733164693 578745442 /nfs/dbraw/zinc/74/54/42/578745442.db2.gz BQMYMPLGDJEOHI-CYBMUJFWSA-N 0 3 327.356 1.815 20 5 EDBDHN CC[C@H](CN1CCCC1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000736100225 578951574 /nfs/dbraw/zinc/95/15/74/578951574.db2.gz CSMZXPIWVMWOFT-CQSZACIVSA-N 0 3 349.387 1.777 20 5 EDBDHN CS[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000776595883 580423345 /nfs/dbraw/zinc/42/33/45/580423345.db2.gz BUIHAHHTRLPIKF-RBSFLKMASA-N 0 3 325.434 1.606 20 5 EDBDHN C[C@]1(C(N)=O)CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000794708387 580903925 /nfs/dbraw/zinc/90/39/25/580903925.db2.gz AAHTUJZVGSUXAL-INIZCTEOSA-N 0 3 329.360 1.613 20 5 EDBDHN COc1ccc(CN[C@H](C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000892713985 591144488 /nfs/dbraw/zinc/14/44/88/591144488.db2.gz KVHKRKSBKFCEOZ-ZYHUDNBSSA-N 0 3 328.390 1.516 20 5 EDBDHN Cc1ccc(Cn2cc(CNC3CCN(C)CC3)nn2)cc1[N+](=O)[O-] ZINC000900528190 592047970 /nfs/dbraw/zinc/04/79/70/592047970.db2.gz SMQFZTVZRBSHNF-UHFFFAOYSA-N 0 3 344.419 1.727 20 5 EDBDHN COc1cc([C@@H](C)NCCC2CS(=O)(=O)C2)cc([N+](=O)[O-])c1 ZINC000903157226 592127424 /nfs/dbraw/zinc/12/74/24/592127424.db2.gz AXEAJLQNTLBAPI-SNVBAGLBSA-N 0 3 328.390 1.689 20 5 EDBDHN CN(C)CCn1nccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000900856712 592148203 /nfs/dbraw/zinc/14/82/03/592148203.db2.gz ANCNLJDUNLNVSL-UHFFFAOYSA-N 0 3 331.376 1.325 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)CN2CCCCC2)c1C ZINC000901132113 592250417 /nfs/dbraw/zinc/25/04/17/592250417.db2.gz CATXQONKHZITEU-CQSZACIVSA-N 0 3 335.404 1.788 20 5 EDBDHN Cc1ccc(C[C@@H](CO)CNCC[N+](=O)[O-])cc1Br ZINC000905373847 592518827 /nfs/dbraw/zinc/51/88/27/592518827.db2.gz RAROUGZCTDIGRH-GFCCVEGCSA-N 0 3 331.210 1.775 20 5 EDBDHN CCN(CCO)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907440961 592635645 /nfs/dbraw/zinc/63/56/45/592635645.db2.gz UOXMYVMYZQKVHZ-UHFFFAOYSA-N 0 3 343.811 1.611 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906623106 592860073 /nfs/dbraw/zinc/86/00/73/592860073.db2.gz WATYTGXDAJQGNY-LBPRGKRZSA-N 0 3 349.387 1.828 20 5 EDBDHN CC1(C)CNCCN1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000911849144 593026049 /nfs/dbraw/zinc/02/60/49/593026049.db2.gz ZMPUOMRDZQPTOR-UHFFFAOYSA-N 0 3 343.387 1.664 20 5 EDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CN1CCOCC1 ZINC000839674339 593367865 /nfs/dbraw/zinc/36/78/65/593367865.db2.gz NJPHBIRFMGRKAD-INIZCTEOSA-N 0 3 337.420 1.671 20 5 EDBDHN CC(COC(=O)Cn1cnc2c3ccccc3oc2c1=O)[N+](=O)[O-] ZINC000813103421 593517532 /nfs/dbraw/zinc/51/75/32/593517532.db2.gz AEGSJNCTZMWYJU-SECBINFHSA-N 0 3 331.284 1.351 20 5 EDBDHN COc1ccc(C)cc1N1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813106225 593517671 /nfs/dbraw/zinc/51/76/71/593517671.db2.gz AZFOESFZKJCWMA-NWDGAFQWSA-N 0 3 336.344 1.565 20 5 EDBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813104636 593517730 /nfs/dbraw/zinc/51/77/30/593517730.db2.gz FNCVOQOMZNOKGM-ZJUUUORDSA-N 0 3 326.736 1.901 20 5 EDBDHN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813109270 593518052 /nfs/dbraw/zinc/51/80/52/593518052.db2.gz QSGNSBBFPDPXKN-LLVKDONJSA-N 0 3 344.389 1.539 20 5 EDBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)[N+](=O)[O-] ZINC000813111426 593518385 /nfs/dbraw/zinc/51/83/85/593518385.db2.gz HASLINRHASHFTJ-RISCZKNCSA-N 0 3 332.356 1.737 20 5 EDBDHN COc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])c(OC)c1OC ZINC000813110288 593518411 /nfs/dbraw/zinc/51/84/11/593518411.db2.gz WODWBGQRRTXERZ-JTQLQIEISA-N 0 3 327.333 1.853 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813516445 593537888 /nfs/dbraw/zinc/53/78/88/593537888.db2.gz DHDNXNVENNLXOL-CYBMUJFWSA-N 0 3 348.186 1.698 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000816950202 593562452 /nfs/dbraw/zinc/56/24/52/593562452.db2.gz NGVDDKSYVHEISG-IUODEOHRSA-N 0 3 329.360 1.107 20 5 EDBDHN CN(C[C@H]1CCCN1C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000817374243 593598133 /nfs/dbraw/zinc/59/81/33/593598133.db2.gz QTKVYAPQIBFCGU-LLVKDONJSA-N 0 3 332.360 1.174 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000815290850 593625975 /nfs/dbraw/zinc/62/59/75/593625975.db2.gz OFJNGIVKFGOCOE-ZACQAIPSSA-N 0 3 336.388 1.538 20 5 EDBDHN CS(=O)(=O)CC1(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819130773 593740566 /nfs/dbraw/zinc/74/05/66/593740566.db2.gz FLSQWIYYLYIWPS-CYBMUJFWSA-N 0 3 328.390 1.043 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000819215455 593744693 /nfs/dbraw/zinc/74/46/93/593744693.db2.gz HRQQWYFKWGCCTQ-CABCVRRESA-N 0 3 338.360 1.140 20 5 EDBDHN C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820426812 593818224 /nfs/dbraw/zinc/81/82/24/593818224.db2.gz NVJFMRUUKAXPHL-SNVBAGLBSA-N 0 3 328.336 1.322 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000820656574 593854687 /nfs/dbraw/zinc/85/46/87/593854687.db2.gz GPAKISBBVPGWHO-MNOVXSKESA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000820656574 593854691 /nfs/dbraw/zinc/85/46/91/593854691.db2.gz GPAKISBBVPGWHO-MNOVXSKESA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000820656574 593854692 /nfs/dbraw/zinc/85/46/92/593854692.db2.gz GPAKISBBVPGWHO-MNOVXSKESA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000820656574 593854695 /nfs/dbraw/zinc/85/46/95/593854695.db2.gz GPAKISBBVPGWHO-MNOVXSKESA-N 0 3 331.380 1.694 20 5 EDBDHN C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821581646 593868063 /nfs/dbraw/zinc/86/80/63/593868063.db2.gz RKFNGNRIGPEDJI-NXEZZACHSA-N 0 3 332.368 1.455 20 5 EDBDHN C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821581646 593868066 /nfs/dbraw/zinc/86/80/66/593868066.db2.gz RKFNGNRIGPEDJI-NXEZZACHSA-N 0 3 332.368 1.455 20 5 EDBDHN CCC[N@H+](C)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821087534 593962565 /nfs/dbraw/zinc/96/25/65/593962565.db2.gz CSOAEKMTUFCWQD-GFCCVEGCSA-N 0 3 345.407 1.943 20 5 EDBDHN CCC[N@@H+](C)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821087534 593962566 /nfs/dbraw/zinc/96/25/66/593962566.db2.gz CSOAEKMTUFCWQD-GFCCVEGCSA-N 0 3 345.407 1.943 20 5 EDBDHN CCC[N@H+](C)C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821087534 593962569 /nfs/dbraw/zinc/96/25/69/593962569.db2.gz CSOAEKMTUFCWQD-GFCCVEGCSA-N 0 3 345.407 1.943 20 5 EDBDHN CCC[N@@H+](C)C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821087534 593962572 /nfs/dbraw/zinc/96/25/72/593962572.db2.gz CSOAEKMTUFCWQD-GFCCVEGCSA-N 0 3 345.407 1.943 20 5 EDBDHN C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824377792 593997558 /nfs/dbraw/zinc/99/75/58/593997558.db2.gz NKECLPNYGFKDLR-LLVKDONJSA-N 0 3 345.407 1.941 20 5 EDBDHN C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824377792 593997560 /nfs/dbraw/zinc/99/75/60/593997560.db2.gz NKECLPNYGFKDLR-LLVKDONJSA-N 0 3 345.407 1.941 20 5 EDBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1=CC[N@H+](C)CC1 ZINC000824658536 594052122 /nfs/dbraw/zinc/05/21/22/594052122.db2.gz XXDLDEKINKWHTC-JTQLQIEISA-N 0 3 329.364 1.837 20 5 EDBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1=CC[N@@H+](C)CC1 ZINC000824658536 594052123 /nfs/dbraw/zinc/05/21/23/594052123.db2.gz XXDLDEKINKWHTC-JTQLQIEISA-N 0 3 329.364 1.837 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@](C)(O)c1ccccc1 ZINC000823605130 594220922 /nfs/dbraw/zinc/22/09/22/594220922.db2.gz IBYNAIFHTKVYTH-QGZVFWFLSA-N 0 3 331.372 1.596 20 5 EDBDHN C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000826034420 594311677 /nfs/dbraw/zinc/31/16/77/594311677.db2.gz QGLZLQVYZKNJTG-UHFFFAOYSA-N 0 3 344.379 1.235 20 5 EDBDHN C[N@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000826034420 594311679 /nfs/dbraw/zinc/31/16/79/594311679.db2.gz QGLZLQVYZKNJTG-UHFFFAOYSA-N 0 3 344.379 1.235 20 5 EDBDHN C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000826034420 594311681 /nfs/dbraw/zinc/31/16/81/594311681.db2.gz QGLZLQVYZKNJTG-UHFFFAOYSA-N 0 3 344.379 1.235 20 5 EDBDHN C[N@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000826034420 594311683 /nfs/dbraw/zinc/31/16/83/594311683.db2.gz QGLZLQVYZKNJTG-UHFFFAOYSA-N 0 3 344.379 1.235 20 5 EDBDHN CN1CC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000831724077 594696555 /nfs/dbraw/zinc/69/65/55/594696555.db2.gz SUXQUKYVRBCASA-YGRLFVJLSA-N 0 3 338.795 1.823 20 5 EDBDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841193929 594866491 /nfs/dbraw/zinc/86/64/91/594866491.db2.gz GBRIFTXUDFPOHI-SECBINFHSA-N 0 3 342.783 1.820 20 5 EDBDHN C[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000836621766 594980915 /nfs/dbraw/zinc/98/09/15/594980915.db2.gz MMKIURRARGOKMW-ZDUSSCGKSA-N 0 3 335.408 1.377 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC[NH2+]2)c1 ZINC000842696679 595172936 /nfs/dbraw/zinc/17/29/36/595172936.db2.gz IJUPUVKYUUNAFH-JTQLQIEISA-N 0 3 347.824 1.977 20 5 EDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@]1(OCCO)CCOC1 ZINC000850357913 595816918 /nfs/dbraw/zinc/81/69/18/595816918.db2.gz BAXFCNZGDGDDPP-CQSZACIVSA-N 0 3 330.768 1.506 20 5 EDBDHN CC1(N2CCOCC2)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000859777739 596194875 /nfs/dbraw/zinc/19/48/75/596194875.db2.gz XBVBHDAWGZRPKN-KRWDZBQOSA-N 0 3 349.431 1.815 20 5 EDBDHN Cc1ccc([C@H](C)NC[C@@]23COCCN2C(=O)COC3)cc1[N+](=O)[O-] ZINC000866555043 596249542 /nfs/dbraw/zinc/24/95/42/596249542.db2.gz KIVKWMQCBIBOLS-GUYCJALGSA-N 0 3 349.387 1.182 20 5 EDBDHN CC[C@@H](NC[C@@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1 ZINC000866555818 596250236 /nfs/dbraw/zinc/25/02/36/596250236.db2.gz OLMSMQOYWWABFT-WBVHZDCISA-N 0 3 349.387 1.263 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000866753882 596322848 /nfs/dbraw/zinc/32/28/48/596322848.db2.gz GVVOQGSTTBALQE-LLVKDONJSA-N 0 3 345.396 1.662 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000866753882 596322852 /nfs/dbraw/zinc/32/28/52/596322852.db2.gz GVVOQGSTTBALQE-LLVKDONJSA-N 0 3 345.396 1.662 20 5 EDBDHN CN1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000867812491 596564887 /nfs/dbraw/zinc/56/48/87/596564887.db2.gz KKBOZUWCTRSASP-GWCFXTLKSA-N 0 3 343.380 1.449 20 5 EDBDHN CN(CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000863503082 596602801 /nfs/dbraw/zinc/60/28/01/596602801.db2.gz XJWUDEFZJONKCG-MRXNPFEDSA-N 0 3 332.360 1.456 20 5 EDBDHN COC(=O)C1=CC[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000863571880 596622239 /nfs/dbraw/zinc/62/22/39/596622239.db2.gz GHWWUDMHWOTOSD-GXTWGEPZSA-N 0 3 336.344 1.186 20 5 EDBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)cs1 ZINC000119831343 596748164 /nfs/dbraw/zinc/74/81/64/596748164.db2.gz CEOZZVPGODWSQZ-NSHDSACASA-N 0 3 345.446 1.763 20 5 EDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC(=O)N1CCOCC1 ZINC000866313847 596853180 /nfs/dbraw/zinc/85/31/80/596853180.db2.gz IJTLIKWQJLNBLO-NSHDSACASA-N 0 3 325.340 1.113 20 5 EDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC1CN(c2ccncn2)C1 ZINC000866496731 596893467 /nfs/dbraw/zinc/89/34/67/596893467.db2.gz WHBTZMMCJCLJID-NSHDSACASA-N 0 3 331.351 1.933 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000874253605 596987997 /nfs/dbraw/zinc/98/79/97/596987997.db2.gz SXUKDTALYHHWQW-KBPBESRZSA-N 0 3 333.388 1.805 20 5 EDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000874836839 597192720 /nfs/dbraw/zinc/19/27/20/597192720.db2.gz FMVRHEOITCARLX-UONOGXRCSA-N 0 3 347.371 1.675 20 5 EDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000876471254 597212377 /nfs/dbraw/zinc/21/23/77/597212377.db2.gz LSJAOEHKOXQKRR-CQSZACIVSA-N 0 3 343.405 1.076 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877347320 597498002 /nfs/dbraw/zinc/49/80/02/597498002.db2.gz UCBHGXSCEBWCPK-INIZCTEOSA-N 0 3 325.368 1.968 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@H]1CCCN2C ZINC000880135481 597852035 /nfs/dbraw/zinc/85/20/35/597852035.db2.gz WCBVAQRCKXYIJN-LSDHHAIUSA-N 0 3 348.403 1.710 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000738369231 598504381 /nfs/dbraw/zinc/50/43/81/598504381.db2.gz JLQGLMNVZBQKRJ-SNVBAGLBSA-N 0 3 330.352 1.066 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000738369231 598504382 /nfs/dbraw/zinc/50/43/82/598504382.db2.gz JLQGLMNVZBQKRJ-SNVBAGLBSA-N 0 3 330.352 1.066 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000738369231 598504383 /nfs/dbraw/zinc/50/43/83/598504383.db2.gz JLQGLMNVZBQKRJ-SNVBAGLBSA-N 0 3 330.352 1.066 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000738369231 598504384 /nfs/dbraw/zinc/50/43/84/598504384.db2.gz JLQGLMNVZBQKRJ-SNVBAGLBSA-N 0 3 330.352 1.066 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)c2ccoc2)CC1 ZINC001034593988 710273318 /nfs/dbraw/zinc/27/33/18/710273318.db2.gz XLIUQPCTXQRIFH-JOCQHMNTSA-N 0 3 347.375 1.752 20 5 EDBDHN COc1cc(CNCC[C@@H]2CC(=O)N(C)C2)c([N+](=O)[O-])cc1OC ZINC000922488421 711607420 /nfs/dbraw/zinc/60/74/20/711607420.db2.gz JVVLASXYPOCUAK-LLVKDONJSA-N 0 3 337.376 1.570 20 5 EDBDHN COCCN(C)CCCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433837413 305113700 /nfs/dbraw/zinc/11/37/00/305113700.db2.gz TYVNGMYKUYFMMT-UHFFFAOYSA-N 0 3 327.385 1.139 20 5 EDBDHN Cc1cccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000065978418 215002221 /nfs/dbraw/zinc/00/22/21/215002221.db2.gz WGXKPWMVNSWNSH-UHFFFAOYSA-N 0 3 349.412 1.971 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCN(C(N)=O)CC1 ZINC000102180549 219189509 /nfs/dbraw/zinc/18/95/09/219189509.db2.gz CLWMBXPJSKPMIL-UHFFFAOYSA-N 0 3 349.391 1.318 20 5 EDBDHN Cc1c(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000077851379 138255653 /nfs/dbraw/zinc/25/56/53/138255653.db2.gz SSFPSDVYGJHYSD-LBPRGKRZSA-N 0 3 348.403 1.832 20 5 EDBDHN COCc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000090394468 138278206 /nfs/dbraw/zinc/27/82/06/138278206.db2.gz JXHVLRWUYKEAML-AAEUAGOBSA-N 0 3 331.376 1.998 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(O)CCCC2)cc1 ZINC000564872789 306368152 /nfs/dbraw/zinc/36/81/52/306368152.db2.gz HYOMBWMQCFCKGY-UHFFFAOYSA-N 0 3 328.390 1.263 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000073434682 216387112 /nfs/dbraw/zinc/38/71/12/216387112.db2.gz CMGYVAHZOCLJID-UHFFFAOYSA-N 0 3 331.394 1.224 20 5 EDBDHN Cc1n[nH]c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000354325088 291469245 /nfs/dbraw/zinc/46/92/45/291469245.db2.gz SCVYBGBVZUHTBY-ZDUSSCGKSA-N 0 3 331.376 1.529 20 5 EDBDHN Cn1cc(CNC[C@H]2CNCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415093163 304159244 /nfs/dbraw/zinc/15/92/44/304159244.db2.gz HOQWVAQYFRFTMU-OAHLLOKOSA-N 0 3 331.376 1.073 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCC[NH2+]C2)cc1C ZINC000237666797 139057452 /nfs/dbraw/zinc/05/74/52/139057452.db2.gz OLCBMIGXHSJFRG-ZDUSSCGKSA-N 0 3 341.433 1.880 20 5 EDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000247257258 139142745 /nfs/dbraw/zinc/14/27/45/139142745.db2.gz DWUKXPLNGWNKPR-QMTHXVAHSA-N 0 3 331.376 1.883 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262031555 139245196 /nfs/dbraw/zinc/24/51/96/139245196.db2.gz YWTWMIXCAVSQJK-SNVBAGLBSA-N 0 3 329.378 1.024 20 5 EDBDHN CN(C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000416308768 251061721 /nfs/dbraw/zinc/06/17/21/251061721.db2.gz RZRINMKGLTUTTL-UHFFFAOYSA-N 0 3 348.403 1.255 20 5 EDBDHN C[C@]1(F)CNCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000420343950 251686689 /nfs/dbraw/zinc/68/66/89/251686689.db2.gz XHUUTMIHVNSTLB-HNNXBMFYSA-N 0 3 335.339 1.778 20 5 EDBDHN O=C(CN1C[C@H]2CCC[C@@H](C1)N2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420351247 251694270 /nfs/dbraw/zinc/69/42/70/251694270.db2.gz WIAKFYMRQAPWCU-OKILXGFUSA-N 0 3 330.388 1.310 20 5 EDBDHN C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)N(C)C ZINC000187186771 533067668 /nfs/dbraw/zinc/06/76/68/533067668.db2.gz GKZHOLYZFHVRRW-DYVFJYSZSA-N 0 3 345.403 1.989 20 5 EDBDHN Cc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000112549519 220347552 /nfs/dbraw/zinc/34/75/52/220347552.db2.gz SPFHBPQEDHNHOS-ZYHUDNBSSA-N 0 3 344.375 1.426 20 5 EDBDHN Cc1nnc(CCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000570154931 306531708 /nfs/dbraw/zinc/53/17/08/306531708.db2.gz FVFKCSYRWMWPKF-GFCCVEGCSA-N 0 3 338.389 1.327 20 5 EDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@]1(O)CN2CCC1CC2 ZINC000493550339 255214910 /nfs/dbraw/zinc/21/49/10/255214910.db2.gz HXZDQRQSZYLURJ-SVEBXFOSSA-N 0 3 331.372 1.181 20 5 EDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(CCCO)C1 ZINC000493216955 255197415 /nfs/dbraw/zinc/19/74/15/255197415.db2.gz IVTTVSVRKOAZRD-WUKHSURWSA-N 0 3 333.388 1.571 20 5 EDBDHN C[C@@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000495041507 255266575 /nfs/dbraw/zinc/26/65/75/255266575.db2.gz FHSWXQBSEFEXEU-UTUOFQBUSA-N 0 3 327.406 1.507 20 5 EDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000264106942 139380888 /nfs/dbraw/zinc/38/08/88/139380888.db2.gz IMAJPZFZFMDIQP-LLVKDONJSA-N 0 3 345.421 1.612 20 5 EDBDHN Cn1cc(CN2CCC[C@@H](C(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155009438 224342478 /nfs/dbraw/zinc/34/24/78/224342478.db2.gz GUMQDDRLPGAREY-CYBMUJFWSA-N 0 3 343.387 1.693 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H](O)CN1CCOCC1 ZINC000347363541 533380569 /nfs/dbraw/zinc/38/05/69/533380569.db2.gz RSFCRXXWOMRDCS-QWSHFYNQSA-N 0 3 349.431 1.623 20 5 EDBDHN Cc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184305205 533590218 /nfs/dbraw/zinc/59/02/18/533590218.db2.gz MEXWQIQXPLBCOS-CQSZACIVSA-N 0 3 334.420 1.659 20 5 EDBDHN CS[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270386205 140090542 /nfs/dbraw/zinc/09/05/42/140090542.db2.gz RBXLVZWEBYVBAV-DTWKUNHWSA-N 0 3 327.435 1.786 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CN2CCCC2)c2ccccc2)n1 ZINC000270779885 140167340 /nfs/dbraw/zinc/16/73/40/140167340.db2.gz SXQLPPNLRHXWOS-CQSZACIVSA-N 0 3 343.387 1.895 20 5 EDBDHN CS[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1N1CCCC1 ZINC000331485467 141037226 /nfs/dbraw/zinc/03/72/26/141037226.db2.gz BKQYBAHAXLLKAX-WCQYABFASA-N 0 3 325.438 1.340 20 5 EDBDHN CS[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1N1CCCC1 ZINC000331485464 141037237 /nfs/dbraw/zinc/03/72/37/141037237.db2.gz BKQYBAHAXLLKAX-AAEUAGOBSA-N 0 3 325.438 1.340 20 5 EDBDHN CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1N(C)C ZINC000331527750 141043463 /nfs/dbraw/zinc/04/34/63/141043463.db2.gz QOARMHUYHUCDPC-ZIAGYGMSSA-N 0 3 335.433 1.949 20 5 EDBDHN COc1cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000337860566 141685882 /nfs/dbraw/zinc/68/58/82/141685882.db2.gz IUMAZRSCGOGRBA-UHFFFAOYSA-N 0 3 349.387 1.800 20 5 EDBDHN CCN1CC[C@@H]2OCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000339383658 142032580 /nfs/dbraw/zinc/03/25/80/142032580.db2.gz ATQPIIUDNSQDTC-RDJZCZTQSA-N 0 3 335.404 1.898 20 5 EDBDHN C[C@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000346148645 143172528 /nfs/dbraw/zinc/17/25/28/143172528.db2.gz XKRIUWIVRWGUQG-SNVBAGLBSA-N 0 3 327.406 1.359 20 5 EDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000346726683 143238460 /nfs/dbraw/zinc/23/84/60/143238460.db2.gz ISJCXNLWMGGLPU-NSHDSACASA-N 0 3 327.406 1.839 20 5 EDBDHN C[C@H]1[C@H](N(C)CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000347148813 143287918 /nfs/dbraw/zinc/28/79/18/143287918.db2.gz ARPPAXQSYFSJJB-XHDPSFHLSA-N 0 3 339.367 1.190 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347229100 143297781 /nfs/dbraw/zinc/29/77/81/143297781.db2.gz JZKJYHQELIXBPG-ZDUSSCGKSA-N 0 3 340.355 1.966 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@](C)(CO)C(C)C ZINC000352889465 149205402 /nfs/dbraw/zinc/20/54/02/149205402.db2.gz AFPAQNTVFKPGPM-OAHLLOKOSA-N 0 3 325.365 1.539 20 5 EDBDHN COc1ccc(NC(=O)CCN2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000357569022 151070592 /nfs/dbraw/zinc/07/05/92/151070592.db2.gz KSSBFKQRBNIQAO-XHDPSFHLSA-N 0 3 337.376 1.635 20 5 EDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000370079631 155315160 /nfs/dbraw/zinc/31/51/60/155315160.db2.gz FPENMLCAZSYTFV-WWGRRREGSA-N 0 3 332.404 1.948 20 5 EDBDHN CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000361377840 152376719 /nfs/dbraw/zinc/37/67/19/152376719.db2.gz KUQJTZNGZSPGRM-LSDHHAIUSA-N 0 3 349.435 1.965 20 5 EDBDHN Nc1ccc(C(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000364183475 153165750 /nfs/dbraw/zinc/16/57/50/153165750.db2.gz PBPAGYDMDONQES-UKRRQHHQSA-N 0 3 344.346 1.883 20 5 EDBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000364959369 153383749 /nfs/dbraw/zinc/38/37/49/153383749.db2.gz ZGCXDCJGKDONTO-MAZHCROVSA-N 0 3 333.388 1.950 20 5 EDBDHN CC1=C(c2ccco2)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000367225349 154048180 /nfs/dbraw/zinc/04/81/80/154048180.db2.gz QXTHOCWNSOXAKH-CQSZACIVSA-N 0 3 332.360 1.925 20 5 EDBDHN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000367510002 154152276 /nfs/dbraw/zinc/15/22/76/154152276.db2.gz LBGKVEFEFPJGGW-NSHDSACASA-N 0 3 347.400 1.910 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC2CC(c3ccccn3)C2)cc1 ZINC000368020325 154371537 /nfs/dbraw/zinc/37/15/37/154371537.db2.gz VJWSEBMCHSDYTQ-GNNGFNCTSA-N 0 3 343.383 1.920 20 5 EDBDHN COC(=O)[C@]12CCC[C@@H]1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000371705160 156071032 /nfs/dbraw/zinc/07/10/32/156071032.db2.gz AHXSJSWHHGVKQI-UNEWFSDZSA-N 0 3 334.372 1.903 20 5 EDBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CCN1C1CCN(C)CC1 ZINC000373873287 157042316 /nfs/dbraw/zinc/04/23/16/157042316.db2.gz VTJGGEDMEXSQNS-NSHDSACASA-N 0 3 325.438 1.656 20 5 EDBDHN O=C(NC1CCCCC1)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000374190926 157188144 /nfs/dbraw/zinc/18/81/44/157188144.db2.gz WCPOTSONXAEKSW-UHFFFAOYSA-N 0 3 349.435 1.952 20 5 EDBDHN COc1cc(CN[C@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])cc1OC ZINC000374540086 157322630 /nfs/dbraw/zinc/32/26/30/157322630.db2.gz CANBUUAUTDFPRU-LBPRGKRZSA-N 0 3 332.360 1.982 20 5 EDBDHN COc1cc(CN2CCN(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000352540525 162240097 /nfs/dbraw/zinc/24/00/97/162240097.db2.gz MFNHOZRXPTZONR-UHFFFAOYSA-N 0 3 335.404 1.900 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@](C)(C[NH3+])CC(C)C ZINC000160162629 225351943 /nfs/dbraw/zinc/35/19/43/225351943.db2.gz GJBFKXODVMCIOW-CQSZACIVSA-N 0 3 329.422 1.945 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000123178326 222230720 /nfs/dbraw/zinc/23/07/20/222230720.db2.gz PGPUTCOPEICGDT-AWEZNQCLSA-N 0 3 334.420 1.659 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237747191 273012625 /nfs/dbraw/zinc/01/26/25/273012625.db2.gz IHORXHNWPDAVGJ-GFCCVEGCSA-N 0 3 327.406 1.571 20 5 EDBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274016274 268098284 /nfs/dbraw/zinc/09/82/84/268098284.db2.gz VPLOJGHMAVKZDS-GFCCVEGCSA-N 0 3 341.433 1.946 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](CCO)C(C)C ZINC000274031134 268099509 /nfs/dbraw/zinc/09/95/09/268099509.db2.gz NSVUGFYAZQZKNK-DGCLKSJQSA-N 0 3 339.392 1.927 20 5 EDBDHN CC(C)N1CCC[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000274667771 268180130 /nfs/dbraw/zinc/18/01/30/268180130.db2.gz HOORVZUUVSWMSM-CQSZACIVSA-N 0 3 348.403 1.314 20 5 EDBDHN CN(C)C1(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCC1 ZINC000276093116 268396059 /nfs/dbraw/zinc/39/60/59/268396059.db2.gz YCAYTIXEZOQDSJ-HNNXBMFYSA-N 0 3 346.387 1.688 20 5 EDBDHN O=[N+]([O-])c1cnc(NCc2ccccc2CN2CCC(O)CC2)nc1 ZINC000273563142 273044937 /nfs/dbraw/zinc/04/49/37/273044937.db2.gz BXSNHXSQMPNKKK-UHFFFAOYSA-N 0 3 343.387 1.954 20 5 EDBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000275234410 273107949 /nfs/dbraw/zinc/10/79/49/273107949.db2.gz DKVDPIMFTXCSPW-ZFWWWQNUSA-N 0 3 334.380 1.261 20 5 EDBDHN CN(C)CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000155649436 272928584 /nfs/dbraw/zinc/92/85/84/272928584.db2.gz HHKZOCNQEBIILW-UHFFFAOYSA-N 0 3 348.403 1.866 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000277084954 273179649 /nfs/dbraw/zinc/17/96/49/273179649.db2.gz KYHCUKSFILRUMU-TZMCWYRMSA-N 0 3 339.417 1.721 20 5 EDBDHN CCN1CCN(CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255300451 287834996 /nfs/dbraw/zinc/83/49/96/287834996.db2.gz RFGDKFZDPKHEKM-FPLPWBNLSA-N 0 3 332.404 1.362 20 5 EDBDHN C[C@H](CN(C)C)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000343804827 278178689 /nfs/dbraw/zinc/17/86/89/278178689.db2.gz JVGNYQLYSHQVTR-GFCCVEGCSA-N 0 3 336.392 1.429 20 5 EDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000286528117 288027612 /nfs/dbraw/zinc/02/76/12/288027612.db2.gz VUOXBVRCNSWFCK-IRXDYDNUSA-N 0 3 347.415 1.849 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)N(C)C[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000422018328 447310302 /nfs/dbraw/zinc/31/03/02/447310302.db2.gz IWSISJMGDWHOHA-AWEZNQCLSA-N 0 3 348.403 1.186 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)N(C)C[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000422018329 447310643 /nfs/dbraw/zinc/31/06/43/447310643.db2.gz IWSISJMGDWHOHA-CQSZACIVSA-N 0 3 348.403 1.186 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000420008971 304725563 /nfs/dbraw/zinc/72/55/63/304725563.db2.gz FBHARVYQIGISPE-QGZVFWFLSA-N 0 3 337.420 1.691 20 5 EDBDHN COCCOC1(CNCc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000294769657 303145267 /nfs/dbraw/zinc/14/52/67/303145267.db2.gz KCMDLJYBGLWFMN-UHFFFAOYSA-N 0 3 330.406 1.958 20 5 EDBDHN C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295778519 303265339 /nfs/dbraw/zinc/26/53/39/303265339.db2.gz XUCDNBWECGRYGJ-JSGCOSHPSA-N 0 3 348.403 1.182 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000299210181 303593188 /nfs/dbraw/zinc/59/31/88/303593188.db2.gz HIBQOINTPXKGQK-WFASDCNBSA-N 0 3 348.403 1.559 20 5 EDBDHN Cc1ccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000303976899 303746790 /nfs/dbraw/zinc/74/67/90/303746790.db2.gz CKFXNQDPTLIZNO-HNNXBMFYSA-N 0 3 335.404 1.726 20 5 EDBDHN Cn1cc([C@@H]2OCC[C@H]2NCCOc2ccccc2[N+](=O)[O-])cn1 ZINC000425529311 304967753 /nfs/dbraw/zinc/96/77/53/304967753.db2.gz WFVVYIUPIZHTDD-CJNGLKHVSA-N 0 3 332.360 1.827 20 5 EDBDHN CC(C)(NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000429263719 305027033 /nfs/dbraw/zinc/02/70/33/305027033.db2.gz YUKPGVIWMBZQEN-GFCCVEGCSA-N 0 3 341.433 1.701 20 5 EDBDHN NC(=O)c1ccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441275956 305220108 /nfs/dbraw/zinc/22/01/08/305220108.db2.gz IWDSOBLJHRAXKH-DZGCQCFKSA-N 0 3 333.388 1.942 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000442175293 305226634 /nfs/dbraw/zinc/22/66/34/305226634.db2.gz QJYWTACRXLOXRY-NEPJUHHUSA-N 0 3 334.376 1.441 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@]1(O)CCN(C)C1 ZINC000447817419 305286366 /nfs/dbraw/zinc/28/63/66/305286366.db2.gz OGRXKYGUEQXIHJ-AWEZNQCLSA-N 0 3 343.767 1.513 20 5 EDBDHN O=C1CNC(=O)N1CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546373 305352688 /nfs/dbraw/zinc/35/26/88/305352688.db2.gz JDPIIKOOWZGHCU-ZDUSSCGKSA-N 0 3 332.360 1.326 20 5 EDBDHN O=C(CN[C@@H]([C@H](CO)C1CC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000451613401 305356349 /nfs/dbraw/zinc/35/63/49/305356349.db2.gz QQNHAMFEKMOUMO-CXAGYDPISA-N 0 3 333.388 1.920 20 5 EDBDHN COC[C@]1(CO)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451921953 305372713 /nfs/dbraw/zinc/37/27/13/305372713.db2.gz DGSSQYBYRRKQSQ-MRXNPFEDSA-N 0 3 340.376 1.313 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCCN(CCCO)C1 ZINC000452385045 305396025 /nfs/dbraw/zinc/39/60/25/305396025.db2.gz STIRQWYCMFHUNM-CYBMUJFWSA-N 0 3 339.367 1.239 20 5 EDBDHN CNc1nc(C(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000455554767 305443714 /nfs/dbraw/zinc/44/37/14/305443714.db2.gz NWGYULJGHWORNB-GFCCVEGCSA-N 0 3 333.392 1.732 20 5 EDBDHN C[C@H]1CCCC[C@]1(C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000516290743 305735981 /nfs/dbraw/zinc/73/59/81/305735981.db2.gz UTWKUFGHTQAKHI-GXFFZTMASA-N 0 3 328.394 1.176 20 5 EDBDHN COc1cc(C(=O)NC[C@@H](C)N(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000046272517 441097689 /nfs/dbraw/zinc/09/76/89/441097689.db2.gz HHCHEMKDHJXQON-MRVPVSSYSA-N 0 3 347.318 1.885 20 5 EDBDHN COC(=O)c1cc(C(=O)NCCN2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000047142739 441159559 /nfs/dbraw/zinc/15/95/59/441159559.db2.gz PZJZWZHGZXGFJQ-GFCCVEGCSA-N 0 3 349.387 1.986 20 5 EDBDHN CNC(=O)c1ccc(N2CCCN(CCOC)CC2)c([N+](=O)[O-])c1 ZINC000080948102 441210912 /nfs/dbraw/zinc/21/09/12/441210912.db2.gz IXPJXLWVRAJVOY-UHFFFAOYSA-N 0 3 336.392 1.113 20 5 EDBDHN CN(CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000072721744 441254951 /nfs/dbraw/zinc/25/49/51/441254951.db2.gz JPMUKIAKOSVDIK-UHFFFAOYSA-N 0 3 332.404 1.728 20 5 EDBDHN CCN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000074137555 441398187 /nfs/dbraw/zinc/39/81/87/441398187.db2.gz CXDDJYMJANWSHL-UHFFFAOYSA-N 0 3 334.420 1.742 20 5 EDBDHN O=C(CSc1ncccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000065692332 441476955 /nfs/dbraw/zinc/47/69/55/441476955.db2.gz KCJDHVHEJOZHHQ-UHFFFAOYSA-N 0 3 336.417 1.825 20 5 EDBDHN CN(C)CCOc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000065787698 441485292 /nfs/dbraw/zinc/48/52/92/441485292.db2.gz FTWHPQAOWWXXDO-UHFFFAOYSA-N 0 3 347.375 1.761 20 5 EDBDHN CN(C)CCOc1ccccc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269374 441620286 /nfs/dbraw/zinc/62/02/86/441620286.db2.gz YZAZBBDOROANER-UHFFFAOYSA-N 0 3 332.364 1.520 20 5 EDBDHN COCCN(C)CCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000041423151 441653564 /nfs/dbraw/zinc/65/35/64/441653564.db2.gz NTYVUILATRLPIH-UHFFFAOYSA-N 0 3 325.365 1.302 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121475484 441713192 /nfs/dbraw/zinc/71/31/92/441713192.db2.gz IMECKFZZCWSBJS-CYBMUJFWSA-N 0 3 348.403 1.751 20 5 EDBDHN CC1CCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000041660152 441667308 /nfs/dbraw/zinc/66/73/08/441667308.db2.gz CUIJVPMXMGFTNK-UHFFFAOYSA-N 0 3 334.376 1.381 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115585389 441762613 /nfs/dbraw/zinc/76/26/13/441762613.db2.gz AZUUPLHBKIYJAQ-ZDUSSCGKSA-N 0 3 341.433 1.866 20 5 EDBDHN Cc1nn(CCC(=O)N2CCCN(C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000068776769 441850410 /nfs/dbraw/zinc/85/04/10/441850410.db2.gz YHRTYJOOBXIGIL-UHFFFAOYSA-N 0 3 337.424 1.741 20 5 EDBDHN CC(C)N1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000069081975 441886181 /nfs/dbraw/zinc/88/61/81/441886181.db2.gz KZTVKDMYKJBTNT-UHFFFAOYSA-N 0 3 346.431 1.900 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000175100731 442004314 /nfs/dbraw/zinc/00/43/14/442004314.db2.gz MISRNFOVFJBPPN-OCCSQVGLSA-N 0 3 348.403 1.266 20 5 EDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C1CCOCC1 ZINC000151095281 442005065 /nfs/dbraw/zinc/00/50/65/442005065.db2.gz ONKLPJLLPMTJMY-QGZVFWFLSA-N 0 3 347.415 1.897 20 5 EDBDHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000170844988 442274170 /nfs/dbraw/zinc/27/41/70/442274170.db2.gz HWOVCFSWRJGCHS-SNVBAGLBSA-N 0 3 340.767 1.349 20 5 EDBDHN Cc1nn(C)c(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000128562096 442274838 /nfs/dbraw/zinc/27/48/38/442274838.db2.gz UQGJWRJPAXACPK-SDDRHHMPSA-N 0 3 337.424 1.733 20 5 EDBDHN CC[C@H](C)[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155513079 442404120 /nfs/dbraw/zinc/40/41/20/442404120.db2.gz HZPZGRAMMSPPBM-WFASDCNBSA-N 0 3 348.403 1.253 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000155203571 442381905 /nfs/dbraw/zinc/38/19/05/442381905.db2.gz VBJXWFAWWGBYTD-ZDUSSCGKSA-N 0 3 325.340 1.065 20 5 EDBDHN Cc1c(CC(=O)NC[C@H](O)CN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000132121596 442387876 /nfs/dbraw/zinc/38/78/76/442387876.db2.gz FRZPLOVFPXBFMD-INIZCTEOSA-N 0 3 349.431 1.655 20 5 EDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000132242263 442389480 /nfs/dbraw/zinc/38/94/80/442389480.db2.gz FJLJKPIWFYQFJM-CQSZACIVSA-N 0 3 331.376 1.080 20 5 EDBDHN Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000172023269 442400830 /nfs/dbraw/zinc/40/08/30/442400830.db2.gz CDIPGYDANJTCSP-CYBMUJFWSA-N 0 3 341.433 1.866 20 5 EDBDHN CCCNC(=O)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178858526 442504856 /nfs/dbraw/zinc/50/48/56/442504856.db2.gz CPDRMPFAQILPMY-HOCLYGCPSA-N 0 3 335.404 1.866 20 5 EDBDHN Cc1c([C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000193141909 442717106 /nfs/dbraw/zinc/71/71/06/442717106.db2.gz RKTXYMDEVZXLQK-FZMZJTMJSA-N 0 3 334.376 1.727 20 5 EDBDHN CN(CCc1nccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182245745 442749830 /nfs/dbraw/zinc/74/98/30/442749830.db2.gz OEICIOJMBPVRBQ-LBPRGKRZSA-N 0 3 337.401 1.966 20 5 EDBDHN Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000189210926 442898494 /nfs/dbraw/zinc/89/84/94/442898494.db2.gz APKDUHCVNABJKW-UHFFFAOYSA-N 0 3 347.396 1.985 20 5 EDBDHN CN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268461160 442996878 /nfs/dbraw/zinc/99/68/78/442996878.db2.gz DXUHBENPFTZUEM-CYBMUJFWSA-N 0 3 328.376 1.678 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCN(C)CC1 ZINC000184915581 443098008 /nfs/dbraw/zinc/09/80/08/443098008.db2.gz YGAQBGAWGCWRFO-CCEZHUSRSA-N 0 3 346.431 1.752 20 5 EDBDHN CN1CCN(CCCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000209254385 443050455 /nfs/dbraw/zinc/05/04/55/443050455.db2.gz BBCFXKUTKASNSJ-SREVYHEPSA-N 0 3 332.404 1.362 20 5 EDBDHN C[C@H](O)CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)CO ZINC000190836210 443192271 /nfs/dbraw/zinc/19/22/71/443192271.db2.gz MWMMKVVMDXVHLD-STQMWFEESA-N 0 3 349.387 1.856 20 5 EDBDHN Cn1cccc1[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266950294 443299666 /nfs/dbraw/zinc/29/96/66/443299666.db2.gz UCHGYYGVJQTFBR-GDBMZVCRSA-N 0 3 333.392 1.718 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000267233203 443387534 /nfs/dbraw/zinc/38/75/34/443387534.db2.gz WTUXPCRMXFRVAZ-CYBMUJFWSA-N 0 3 341.433 1.784 20 5 EDBDHN CN(C)[C@]1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267234349 443387664 /nfs/dbraw/zinc/38/76/64/443387664.db2.gz WZWKUUNYSAKAAL-HNNXBMFYSA-N 0 3 338.433 1.831 20 5 EDBDHN COc1ccc(CN(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272547206 443359019 /nfs/dbraw/zinc/35/90/19/443359019.db2.gz SHVGLQSTBKEASC-UHFFFAOYSA-N 0 3 336.436 1.673 20 5 EDBDHN C[C@@]1(F)CNCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420325195 319609520 /nfs/dbraw/zinc/60/95/20/319609520.db2.gz CQTZNTWOXGARQO-OAHLLOKOSA-N 0 3 335.339 1.778 20 5 EDBDHN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420438467 319619471 /nfs/dbraw/zinc/61/94/71/319619471.db2.gz RJSXRBMTAHTDOS-ZKCHVHJHSA-N 0 3 339.295 1.382 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H](O)C(F)(F)F ZINC000616363020 450402050 /nfs/dbraw/zinc/40/20/50/450402050.db2.gz YNSGEIXHZQQNBS-LDYMZIIASA-N 0 3 335.282 1.825 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@H]2C1 ZINC000272661943 443400594 /nfs/dbraw/zinc/40/05/94/443400594.db2.gz ROQJJSJKSDUKJI-GWCFXTLKSA-N 0 3 333.344 1.490 20 5 EDBDHN CN1CCC(O)(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267592743 443507609 /nfs/dbraw/zinc/50/76/09/443507609.db2.gz HRRQYHTWHBUZKK-UHFFFAOYSA-N 0 3 327.768 1.435 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000272934723 443494313 /nfs/dbraw/zinc/49/43/13/443494313.db2.gz VZWLXSBAYHZIGZ-ZIAGYGMSSA-N 0 3 340.767 1.129 20 5 EDBDHN O=c1cc2c(n[nH]1)CCN(CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000274883293 443614228 /nfs/dbraw/zinc/61/42/28/443614228.db2.gz OARAAZBOKXTKEV-UHFFFAOYSA-N 0 3 330.344 1.505 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000440854875 320083898 /nfs/dbraw/zinc/08/38/98/320083898.db2.gz DERYBOZCLDAISV-RYUDHWBXSA-N 0 3 327.406 1.760 20 5 EDBDHN CCN1CCN(CCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491200401 320366717 /nfs/dbraw/zinc/36/67/17/320366717.db2.gz PRIOIDXMDXAXIN-TWGQIWQCSA-N 0 3 346.431 1.752 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000492783980 320386156 /nfs/dbraw/zinc/38/61/56/320386156.db2.gz RTBPRUORDYJWCB-OZXVRYSVSA-N 0 3 349.362 1.679 20 5 EDBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000286249614 443676748 /nfs/dbraw/zinc/67/67/48/443676748.db2.gz ZLOKVGZTLXLDGF-HNNXBMFYSA-N 0 3 343.387 1.958 20 5 EDBDHN C[C@@H](O)CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000276816422 443837787 /nfs/dbraw/zinc/83/77/87/443837787.db2.gz VPMVJRPVDJNYES-NXEZZACHSA-N 0 3 347.209 1.921 20 5 EDBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000298807134 443873705 /nfs/dbraw/zinc/87/37/05/443873705.db2.gz QVDFGFJMCLBJGV-LBPRGKRZSA-N 0 3 335.360 1.727 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000285246323 443911085 /nfs/dbraw/zinc/91/10/85/443911085.db2.gz LOYUHNVKIXZYRF-KORIGIIASA-N 0 3 345.399 1.930 20 5 EDBDHN C[C@H](CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)S(C)(=O)=O ZINC000564813405 321148350 /nfs/dbraw/zinc/14/83/50/321148350.db2.gz MRALHADLXASRFO-IJLUTSLNSA-N 0 3 330.410 1.298 20 5 EDBDHN O=C1[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000565653545 321195218 /nfs/dbraw/zinc/19/52/18/321195218.db2.gz FLHCQMRHGVDYQK-MGPQQGTHSA-N 0 3 349.387 1.078 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H]2Cc3ccccc3O2)c1 ZINC000569023553 321315539 /nfs/dbraw/zinc/31/55/39/321315539.db2.gz REKIRYDYFXLLKP-RDJZCZTQSA-N 0 3 344.367 1.928 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H]2Cc3ccccc3O2)c1 ZINC000569023552 321315578 /nfs/dbraw/zinc/31/55/78/321315578.db2.gz REKIRYDYFXLLKP-NVXWUHKLSA-N 0 3 344.367 1.928 20 5 EDBDHN CC[C@@H](C)[C@@H](O)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570515416 321344183 /nfs/dbraw/zinc/34/41/83/321344183.db2.gz HGLWWXVANJRHAW-RISCZKNCSA-N 0 3 330.406 1.365 20 5 EDBDHN COCCN1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301125691 444146469 /nfs/dbraw/zinc/14/64/69/444146469.db2.gz PWDZTBLWIWVXLQ-UHFFFAOYSA-N 0 3 325.394 1.827 20 5 EDBDHN CCN1CCN(C[C@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302621252 444218305 /nfs/dbraw/zinc/21/83/05/444218305.db2.gz DOMQYJQHBVYXEO-CYBMUJFWSA-N 0 3 347.423 1.323 20 5 EDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(CCCO)C1 ZINC000295512000 444187540 /nfs/dbraw/zinc/18/75/40/444187540.db2.gz QASFQNVWOZSQFP-HNNXBMFYSA-N 0 3 335.404 1.490 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cccc(CO)c2)c1 ZINC000576864319 321602768 /nfs/dbraw/zinc/60/27/68/321602768.db2.gz RUDCNKGYTWCKMG-MRXNPFEDSA-N 0 3 332.356 1.617 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000318886934 444321647 /nfs/dbraw/zinc/32/16/47/444321647.db2.gz GLELNKBRYUZEDT-JTQLQIEISA-N 0 3 329.378 1.024 20 5 EDBDHN NC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCCC1 ZINC000324676927 444356611 /nfs/dbraw/zinc/35/66/11/444356611.db2.gz NFUQYUNCTZEBCM-UHFFFAOYSA-N 0 3 333.392 1.300 20 5 EDBDHN COc1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1OC ZINC000325304578 444363879 /nfs/dbraw/zinc/36/38/79/444363879.db2.gz VGRVDCVVYYPLTR-VXGBXAGGSA-N 0 3 337.376 1.887 20 5 EDBDHN C[C@@H]1CCN[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000325986544 444371672 /nfs/dbraw/zinc/37/16/72/444371672.db2.gz BYJJIEDCEYZRNR-OCCSQVGLSA-N 0 3 333.392 1.027 20 5 EDBDHN Cc1c(CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000331192480 444438221 /nfs/dbraw/zinc/43/82/21/444438221.db2.gz QKTDIVXOGCGESK-KBPBESRZSA-N 0 3 341.433 1.853 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000332654422 444524649 /nfs/dbraw/zinc/52/46/49/444524649.db2.gz YYPYKSJRXYYPKD-MNOVXSKESA-N 0 3 335.360 1.579 20 5 EDBDHN CC[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000341026059 444639604 /nfs/dbraw/zinc/63/96/04/444639604.db2.gz ILMZKKKRXOFLNV-BXUZGUMPSA-N 0 3 335.360 1.596 20 5 EDBDHN O=C1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2(CCC2)N1 ZINC000338632596 444783934 /nfs/dbraw/zinc/78/39/34/444783934.db2.gz IZSMYDUYHRFLQZ-ZDUSSCGKSA-N 0 3 329.360 1.762 20 5 EDBDHN CN(C(=O)CN[C@H]1CCC(=O)NC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000338592566 444762164 /nfs/dbraw/zinc/76/21/64/444762164.db2.gz NONSNAIBDWJBCS-ZDUSSCGKSA-N 0 3 334.376 1.204 20 5 EDBDHN COCCN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344230122 444851583 /nfs/dbraw/zinc/85/15/83/444851583.db2.gz YGHSBYBOAZSRHQ-UHFFFAOYSA-N 0 3 325.340 1.575 20 5 EDBDHN C[C@H]1[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCN1C ZINC000343450189 445225235 /nfs/dbraw/zinc/22/52/35/445225235.db2.gz QQBOKLQYISNZTN-WCQYABFASA-N 0 3 349.387 1.507 20 5 EDBDHN COc1ccc(NC(=O)CN(C)[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000348185867 445309906 /nfs/dbraw/zinc/30/99/06/445309906.db2.gz ABIGPAXMXCJNJB-CYBMUJFWSA-N 0 3 348.403 1.710 20 5 EDBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CCN1Cc1ccccc1 ZINC000359810856 445440008 /nfs/dbraw/zinc/44/00/08/445440008.db2.gz PUBKRLPDXPIOPZ-TZMCWYRMSA-N 0 3 343.387 1.721 20 5 EDBDHN C[C@@H](NC(=O)NCCNc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000356190218 445668743 /nfs/dbraw/zinc/66/87/43/445668743.db2.gz OODMUKZIWBBONJ-GFCCVEGCSA-N 0 3 329.360 1.884 20 5 EDBDHN Cc1cc(OCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000369066612 445908318 /nfs/dbraw/zinc/90/83/18/445908318.db2.gz SGSXAAFZMWEPSP-ZFWWWQNUSA-N 0 3 349.387 1.261 20 5 EDBDHN CCC[C@@H](C)[C@@H](CO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000583086957 325998100 /nfs/dbraw/zinc/99/81/00/325998100.db2.gz BOAQQPCYJSYCGB-IUODEOHRSA-N 0 3 335.404 1.871 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583607248 326102941 /nfs/dbraw/zinc/10/29/41/326102941.db2.gz OUOAOZWASIEMKE-BBRMVZONSA-N 0 3 335.404 1.925 20 5 EDBDHN CCCN1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000369338057 446083436 /nfs/dbraw/zinc/08/34/36/446083436.db2.gz MNWSXLGNAPZFGS-UHFFFAOYSA-N 0 3 349.387 1.924 20 5 EDBDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000362031156 446167409 /nfs/dbraw/zinc/16/74/09/446167409.db2.gz ZTQFJXGZGOBHHU-BYCMXARLSA-N 0 3 337.376 1.705 20 5 EDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCN3CCC[C@H]3C2)c1 ZINC000366709522 446317985 /nfs/dbraw/zinc/31/79/85/446317985.db2.gz KMSPQTZHUWNSKY-HNNXBMFYSA-N 0 3 339.417 1.595 20 5 EDBDHN O=C(CCN1CCC[C@]2(CNC(=O)O2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000373674405 446298265 /nfs/dbraw/zinc/29/82/65/446298265.db2.gz PQZCSPMTHLFWRR-INIZCTEOSA-N 0 3 348.359 1.498 20 5 EDBDHN CCOc1cccc(N2CCC[C@@H](n3cc(CN)nn3)C2)c1[N+](=O)[O-] ZINC000420273140 446443759 /nfs/dbraw/zinc/44/37/59/446443759.db2.gz DBFJYRWQDRLFIO-CYBMUJFWSA-N 0 3 346.391 1.885 20 5 EDBDHN C[C@]1(F)CNCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420342901 446515423 /nfs/dbraw/zinc/51/54/23/446515423.db2.gz VYQDDUWKWWTITC-AWEZNQCLSA-N 0 3 344.774 1.820 20 5 EDBDHN NCc1cn([C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420385526 446561216 /nfs/dbraw/zinc/56/12/16/446561216.db2.gz SYYNVPOIFVZTBE-HNNXBMFYSA-N 0 3 346.391 1.361 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420435993 446611043 /nfs/dbraw/zinc/61/10/43/446611043.db2.gz ADFRJSGCZUYUIL-LLVKDONJSA-N 0 3 343.405 1.414 20 5 EDBDHN [NH3+]C1C[C@H]2CC[C@@H](C1)C2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000420457794 446637013 /nfs/dbraw/zinc/63/70/13/446637013.db2.gz BQOFIZGWPZWHCC-QLHKPRNWSA-N 0 3 325.390 1.389 20 5 EDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCNC(C)(C)C1 ZINC000423703018 446649114 /nfs/dbraw/zinc/64/91/14/446649114.db2.gz BDTJWQPDWUCIOM-LLVKDONJSA-N 0 3 338.412 1.038 20 5 EDBDHN O=C1[C@H](N[C@H]2CCO[C@@H]2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375439493 446800574 /nfs/dbraw/zinc/80/05/74/446800574.db2.gz VHTFSKXNAGYNSW-ARFHVFGLSA-N 0 3 331.372 1.857 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000424073294 446839787 /nfs/dbraw/zinc/83/97/87/446839787.db2.gz HLOVDCQKWHJVIG-ZDUSSCGKSA-N 0 3 329.360 1.406 20 5 EDBDHN NC(=O)[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000375514419 446864539 /nfs/dbraw/zinc/86/45/39/446864539.db2.gz XLVLCJOVOLNWJI-VXGBXAGGSA-N 0 3 331.294 1.733 20 5 EDBDHN CCCCOC[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375920376 447149642 /nfs/dbraw/zinc/14/96/42/447149642.db2.gz NJATYGVQCJPTER-CQSZACIVSA-N 0 3 326.397 1.606 20 5 EDBDHN Cc1c(NC(=O)[C@@H](C)N2CC[C@H](c3nc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000425541494 447219723 /nfs/dbraw/zinc/21/97/23/447219723.db2.gz FZYBOAHOTMRARB-NEPJUHHUSA-N 0 3 344.375 1.838 20 5 EDBDHN O=C1[C@H](N2CC[C@H](c3nc[nH]n3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000425551650 447228284 /nfs/dbraw/zinc/22/82/84/447228284.db2.gz QPMCRORWKBOCKN-SMDDNHRTSA-N 0 3 342.359 1.308 20 5 EDBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455842800 447240798 /nfs/dbraw/zinc/24/07/98/447240798.db2.gz JZBWQCFDKZLIPR-VXGBXAGGSA-N 0 3 333.392 1.730 20 5 EDBDHN CNc1nc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000455999716 447282068 /nfs/dbraw/zinc/28/20/68/447282068.db2.gz XXVZROFLNQEWAJ-YPMHNXCESA-N 0 3 333.392 1.588 20 5 EDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000422775769 447747037 /nfs/dbraw/zinc/74/70/37/447747037.db2.gz CGJYDTIBKRNASI-UHFFFAOYSA-N 0 3 342.359 1.234 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@H]2CCCCO2)cc1 ZINC000570676589 448047916 /nfs/dbraw/zinc/04/79/16/448047916.db2.gz XJAWCZPARJGOJN-CQSZACIVSA-N 0 3 342.417 1.917 20 5 EDBDHN CN1CCN(C(=O)CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000576478861 448066671 /nfs/dbraw/zinc/06/66/71/448066671.db2.gz FOMCOAQRJZJJHU-OAHLLOKOSA-N 0 3 332.404 1.336 20 5 EDBDHN CC(COC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cscn1)[N+](=O)[O-] ZINC000497076710 448178919 /nfs/dbraw/zinc/17/89/19/448178919.db2.gz MBPDKEVVHFZBFD-SCZZXKLOSA-N 0 3 345.377 1.917 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000591028678 448238666 /nfs/dbraw/zinc/23/86/66/448238666.db2.gz AQGFLFLQGXFBSJ-FZMZJTMJSA-N 0 3 332.360 1.004 20 5 EDBDHN Cc1cc([N+](=O)[O-])cn(C[C@H](O)CN(C)Cc2ccccc2)c1=O ZINC000591241515 448297160 /nfs/dbraw/zinc/29/71/60/448297160.db2.gz VLJQRANIZQVWJI-MRXNPFEDSA-N 0 3 331.372 1.558 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@@]1(C)CO ZINC000493379638 448389175 /nfs/dbraw/zinc/38/91/75/448389175.db2.gz CRBUCCZUEHEALE-HOCLYGCPSA-N 0 3 337.376 1.683 20 5 EDBDHN O=C(CCN[C@H]1CCCS(=O)(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591737514 448477655 /nfs/dbraw/zinc/47/76/55/448477655.db2.gz KQVIEUZVSBEWMI-NSHDSACASA-N 0 3 341.389 1.090 20 5 EDBDHN O=c1[nH]cnc2cc(NC[C@H]3CCCN3CCCO)c([N+](=O)[O-])cc12 ZINC000516848132 448478846 /nfs/dbraw/zinc/47/88/46/448478846.db2.gz HYBWZFNNMZJIAT-LLVKDONJSA-N 0 3 347.375 1.502 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](O)C2CCC2)cc1 ZINC000516927605 448499491 /nfs/dbraw/zinc/49/94/91/448499491.db2.gz RSWJXDIZIRAUOC-CQSZACIVSA-N 0 3 328.390 1.119 20 5 EDBDHN Cc1nn(C)c(C(=O)N2CCc3ccccc3[C@@H]2CN)c1[N+](=O)[O-] ZINC000566623153 448524757 /nfs/dbraw/zinc/52/47/57/448524757.db2.gz ZGEZYYWZUYNQPK-ZDUSSCGKSA-N 0 3 329.360 1.335 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1c2ccccc2ncc1[N+](=O)[O-] ZINC000591985773 448610882 /nfs/dbraw/zinc/61/08/82/448610882.db2.gz RRZMJAPEWXOMNI-GFCCVEGCSA-N 0 3 343.387 1.699 20 5 EDBDHN CN1CC=C(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000538373896 448584376 /nfs/dbraw/zinc/58/43/76/448584376.db2.gz FMVPNTJONLLZCH-UHFFFAOYSA-N 0 3 334.376 1.535 20 5 EDBDHN Cc1ccc(CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2CC2)cn1 ZINC000592144905 448706192 /nfs/dbraw/zinc/70/61/92/448706192.db2.gz JZELVXVWFKMYHY-QGZVFWFLSA-N 0 3 345.403 1.768 20 5 EDBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000518769128 448708277 /nfs/dbraw/zinc/70/82/77/448708277.db2.gz DAXTYTYGNFYJSE-NSHDSACASA-N 0 3 328.394 1.176 20 5 EDBDHN CN(CCCN(C)C(=O)c1c([N+](=O)[O-])cnn1C)Cc1ccncc1 ZINC000518781644 448710792 /nfs/dbraw/zinc/71/07/92/448710792.db2.gz PMGJATODKTXVPZ-UHFFFAOYSA-N 0 3 346.391 1.317 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCCOc2ccc(F)cc2F)c1 ZINC000519536229 448779772 /nfs/dbraw/zinc/77/97/72/448779772.db2.gz CHTRJWRVBCERQY-LBPRGKRZSA-N 0 3 342.302 1.099 20 5 EDBDHN C[C@@H]1CCCN(CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000589107778 448969868 /nfs/dbraw/zinc/96/98/68/448969868.db2.gz YWFIRXGDMZJCBR-LLVKDONJSA-N 0 3 342.421 1.386 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000592874571 449030988 /nfs/dbraw/zinc/03/09/88/449030988.db2.gz TWGYSAMPZJOXQE-LBPRGKRZSA-N 0 3 334.376 1.095 20 5 EDBDHN COC[C@H]1C[C@@H](O)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593065955 449120991 /nfs/dbraw/zinc/12/09/91/449120991.db2.gz HLJXGDCXQTYRHA-ZIAGYGMSSA-N 0 3 337.376 1.313 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590282231 449124901 /nfs/dbraw/zinc/12/49/01/449124901.db2.gz ULTIIYWEPMGWTD-RISCZKNCSA-N 0 3 332.360 1.004 20 5 EDBDHN C[C@@H](CO)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000593079921 449125333 /nfs/dbraw/zinc/12/53/33/449125333.db2.gz BBXMQYMDHJUYTR-ZFWWWQNUSA-N 0 3 338.404 1.675 20 5 EDBDHN CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597946607 449155502 /nfs/dbraw/zinc/15/55/02/449155502.db2.gz QMBIZAVZETXXOV-CQSZACIVSA-N 0 3 343.387 1.947 20 5 EDBDHN O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600064616 449166699 /nfs/dbraw/zinc/16/66/99/449166699.db2.gz SWAOZKIELHMITD-HNNXBMFYSA-N 0 3 346.387 1.666 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595788426 449166755 /nfs/dbraw/zinc/16/67/55/449166755.db2.gz NTLCPXXTTOXZAL-HZPDHXFCSA-N 0 3 338.408 1.433 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@H]12 ZINC000595738364 449140141 /nfs/dbraw/zinc/14/01/41/449140141.db2.gz RECXDVAUYYKSTP-RBSFLKMASA-N 0 3 336.392 1.845 20 5 EDBDHN Cc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590399903 449147310 /nfs/dbraw/zinc/14/73/10/449147310.db2.gz QBWXHJYWRQMMNP-GOEBONIOSA-N 0 3 333.388 1.838 20 5 EDBDHN Cc1ccc(CN2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000601878916 449202489 /nfs/dbraw/zinc/20/24/89/449202489.db2.gz CVSIWHKSRNJMCA-HNNXBMFYSA-N 0 3 343.387 1.490 20 5 EDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000590563907 449191999 /nfs/dbraw/zinc/19/19/99/449191999.db2.gz VSFONUWTLODSQX-GXTWGEPZSA-N 0 3 334.376 1.112 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000590561733 449192124 /nfs/dbraw/zinc/19/21/24/449192124.db2.gz FVFPAMVYPAUXLJ-HUUCEWRRSA-N 0 3 334.376 1.233 20 5 EDBDHN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)CC(C)(C)C ZINC000602057742 449308360 /nfs/dbraw/zinc/30/83/60/449308360.db2.gz JSYXABHDKUDXDZ-UHFFFAOYSA-N 0 3 349.435 1.616 20 5 EDBDHN CN(C)[C@]1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCSC1 ZINC000593503090 449312837 /nfs/dbraw/zinc/31/28/37/449312837.db2.gz GWCNWKVGAOMJDS-HNNXBMFYSA-N 0 3 341.408 1.830 20 5 EDBDHN CN1CC[C@@](O)(CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596198849 449409051 /nfs/dbraw/zinc/40/90/51/449409051.db2.gz XIZZBNRRCBOXTQ-GFCCVEGCSA-N 0 3 330.182 1.836 20 5 EDBDHN CN1CCN(CC2(C)CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000596199609 449409794 /nfs/dbraw/zinc/40/97/94/449409794.db2.gz TYYOBEIHXGFYDF-UHFFFAOYSA-N 0 3 348.451 1.426 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000598574983 449471688 /nfs/dbraw/zinc/47/16/88/449471688.db2.gz NYVAMFBUYILQNB-HNNXBMFYSA-N 0 3 348.403 1.171 20 5 EDBDHN CC(=O)c1cc(N2CCC(N3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596540573 449545658 /nfs/dbraw/zinc/54/56/58/449545658.db2.gz URPBQAYQOUTVER-OAHLLOKOSA-N 0 3 333.388 1.833 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(CCOC2)CC1 ZINC000612110675 449567909 /nfs/dbraw/zinc/56/79/09/449567909.db2.gz SUEAEIMLXLSMBV-CQSZACIVSA-N 0 3 336.388 1.837 20 5 EDBDHN CN(CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000600817194 449562311 /nfs/dbraw/zinc/56/23/11/449562311.db2.gz LBDSGZIHJMBBBS-LBPRGKRZSA-N 0 3 333.392 1.487 20 5 EDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000602485751 449627404 /nfs/dbraw/zinc/62/74/04/449627404.db2.gz RHXJOEUWXYTANN-WDEREUQCSA-N 0 3 347.350 1.742 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCO[C@H]1CC1(F)F ZINC000594716853 449645107 /nfs/dbraw/zinc/64/51/07/449645107.db2.gz XXLXQBBHYZNUBY-MFKMUULPSA-N 0 3 332.303 1.348 20 5 EDBDHN CC(C)(C)N1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594793930 449705369 /nfs/dbraw/zinc/70/53/69/449705369.db2.gz WPJOYXPAIIRIMT-GFCCVEGCSA-N 0 3 341.433 1.994 20 5 EDBDHN CCN(C)C(=O)[C@@H](C)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602645090 449725311 /nfs/dbraw/zinc/72/53/11/449725311.db2.gz OHOABKZVPJGJFX-GFCCVEGCSA-N 0 3 335.408 1.415 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000594821176 449730137 /nfs/dbraw/zinc/73/01/37/449730137.db2.gz JYTKXOIFYSGTNJ-GFCCVEGCSA-N 0 3 329.422 1.830 20 5 EDBDHN CO[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCOC1 ZINC000594951749 449817560 /nfs/dbraw/zinc/81/75/60/449817560.db2.gz NBPTUOFFCAPZLY-MEDUHNTESA-N 0 3 338.360 1.507 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCc2c(nnn2C)C1 ZINC000595047279 449849069 /nfs/dbraw/zinc/84/90/69/449849069.db2.gz QKALTGUZIJLQOQ-WDEREUQCSA-N 0 3 331.376 1.940 20 5 EDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000601420668 449936920 /nfs/dbraw/zinc/93/69/20/449936920.db2.gz FCYXSVBEGOHFDD-FZMZJTMJSA-N 0 3 327.406 1.449 20 5 EDBDHN COC(=O)c1cc(NC(=O)C2(N)CC3(CCC3)C2)cc([N+](=O)[O-])c1 ZINC000595248382 449974565 /nfs/dbraw/zinc/97/45/65/449974565.db2.gz FKUPLLCZTIUUOX-UHFFFAOYSA-N 0 3 333.344 1.982 20 5 EDBDHN COc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])cc1OC ZINC000595260908 449983054 /nfs/dbraw/zinc/98/30/54/449983054.db2.gz MZQXZANKNGBJMW-NXEZZACHSA-N 0 3 327.312 1.123 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]C[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000601460628 449984046 /nfs/dbraw/zinc/98/40/46/449984046.db2.gz XCQQKUSFRIHBHF-AOOOYVTPSA-N 0 3 333.435 1.583 20 5 EDBDHN C[C@](CO)(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000609483835 450035104 /nfs/dbraw/zinc/03/51/04/450035104.db2.gz JVVKSUZJKCKXGE-SJLPKXTDSA-N 0 3 346.383 1.832 20 5 EDBDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000615312756 450059020 /nfs/dbraw/zinc/05/90/20/450059020.db2.gz HWSJQPSEUFMOLF-CYBMUJFWSA-N 0 3 348.403 1.832 20 5 EDBDHN CCC[N@H+](C)CC(C)(C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595381409 450095552 /nfs/dbraw/zinc/09/55/52/450095552.db2.gz KFJAYCFVHVLRTK-UHFFFAOYSA-N 0 3 330.410 1.389 20 5 EDBDHN CCC[N@@H+](C)CC(C)(C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595381409 450095558 /nfs/dbraw/zinc/09/55/58/450095558.db2.gz KFJAYCFVHVLRTK-UHFFFAOYSA-N 0 3 330.410 1.389 20 5 EDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)OCCNC2 ZINC000599627156 450113721 /nfs/dbraw/zinc/11/37/21/450113721.db2.gz ZTCYBUUXIDLXBG-UHFFFAOYSA-N 0 3 346.347 1.095 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1 ZINC000610240549 450158268 /nfs/dbraw/zinc/15/82/68/450158268.db2.gz SBZOWWYEBFYPKP-OAHLLOKOSA-N 0 3 346.431 1.755 20 5 EDBDHN O=C(NC[C@H]1CCN1C1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000599767475 450205909 /nfs/dbraw/zinc/20/59/09/450205909.db2.gz WZTUUGZNELQUDQ-CYBMUJFWSA-N 0 3 333.392 1.940 20 5 EDBDHN CC(C)c1ccc(CNC2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000619747924 450325494 /nfs/dbraw/zinc/32/54/94/450325494.db2.gz BRJODFWPTAHLFE-UHFFFAOYSA-N 0 3 341.433 1.888 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270527499 535970669 /nfs/dbraw/zinc/97/06/69/535970669.db2.gz NUHNGKLNJPXGPC-MRXNPFEDSA-N 0 3 334.376 1.047 20 5 EDBDHN CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C2CC2)C1 ZINC000732034413 578687920 /nfs/dbraw/zinc/68/79/20/578687920.db2.gz FHZOEDQCOLDNJA-OAHLLOKOSA-N 0 3 343.387 1.640 20 5 EDBDHN CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCN(C2CC2)C1 ZINC000732187979 578695940 /nfs/dbraw/zinc/69/59/40/578695940.db2.gz CJMZGCHYLNRRHT-ZDUSSCGKSA-N 0 3 332.360 1.629 20 5 EDBDHN CN1CCC[C@H](N2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)C1 ZINC000734484949 578816179 /nfs/dbraw/zinc/81/61/79/578816179.db2.gz NVHGWRDDMYPPTN-AWEZNQCLSA-N 0 3 344.419 1.459 20 5 EDBDHN CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736481549 578993186 /nfs/dbraw/zinc/99/31/86/578993186.db2.gz WJALNRYMXDMUEH-JTQLQIEISA-N 0 3 332.368 1.314 20 5 EDBDHN CCC[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736481549 578993187 /nfs/dbraw/zinc/99/31/87/578993187.db2.gz WJALNRYMXDMUEH-JTQLQIEISA-N 0 3 332.368 1.314 20 5 EDBDHN CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736481549 578993188 /nfs/dbraw/zinc/99/31/88/578993188.db2.gz WJALNRYMXDMUEH-JTQLQIEISA-N 0 3 332.368 1.314 20 5 EDBDHN CCC[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736481549 578993189 /nfs/dbraw/zinc/99/31/89/578993189.db2.gz WJALNRYMXDMUEH-JTQLQIEISA-N 0 3 332.368 1.314 20 5 EDBDHN COC1CCN(CCNC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000751040603 579792619 /nfs/dbraw/zinc/79/26/19/579792619.db2.gz ZJSZANATNCTQRT-UHFFFAOYSA-N 0 3 338.433 1.992 20 5 EDBDHN COC(=O)C[C@]1(NCCOc2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000770702577 580268413 /nfs/dbraw/zinc/26/84/13/580268413.db2.gz POUUDHPWGFZSPP-MRXNPFEDSA-N 0 3 338.360 1.676 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(Cn3ccnn3)CC2)cc1 ZINC000776276669 580413635 /nfs/dbraw/zinc/41/36/35/580413635.db2.gz ISKSORRCFLNDML-INIZCTEOSA-N 0 3 331.376 1.632 20 5 EDBDHN COC(=O)[C@@H]1CC12CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776583395 580422219 /nfs/dbraw/zinc/42/22/19/580422219.db2.gz FJMKTZKWBSUQFX-GJZGRUSLSA-N 0 3 334.372 1.903 20 5 EDBDHN C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788711462 580728405 /nfs/dbraw/zinc/72/84/05/580728405.db2.gz MNFKGSRLXCQCMX-AAEUAGOBSA-N 0 3 337.376 1.750 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](O)CN(C)C ZINC000790268396 580765497 /nfs/dbraw/zinc/76/54/97/580765497.db2.gz OJSBSVIROSPTGM-VIFPVBQESA-N 0 3 331.756 1.369 20 5 EDBDHN NC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000801539239 581079258 /nfs/dbraw/zinc/07/92/58/581079258.db2.gz DYIIDNJTEDEUSC-CYBMUJFWSA-N 0 3 325.340 1.494 20 5 EDBDHN COc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000892213052 590867484 /nfs/dbraw/zinc/86/74/84/590867484.db2.gz UYKBGWIRFKVSFA-UONOGXRCSA-N 0 3 348.403 1.982 20 5 EDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892417680 591019580 /nfs/dbraw/zinc/01/95/80/591019580.db2.gz GFWDTPMKXPSPCM-HZPDHXFCSA-N 0 3 348.403 1.335 20 5 EDBDHN CN1CCC[C@H](N2CCN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)C1 ZINC000892561021 591072841 /nfs/dbraw/zinc/07/28/41/591072841.db2.gz KYBYWUAYCALQAP-ZDUSSCGKSA-N 0 3 349.391 1.719 20 5 EDBDHN CS[C@@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000893001859 591251823 /nfs/dbraw/zinc/25/18/23/591251823.db2.gz PDWQTIORYVINRW-CHWSQXEVSA-N 0 3 326.378 1.985 20 5 EDBDHN CCOC(=O)c1ccnc(N2C[C@]3(C)CN(C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000894796824 591420113 /nfs/dbraw/zinc/42/01/13/591420113.db2.gz FDKWXJWDLURCLL-IRXDYDNUSA-N 0 3 348.403 1.945 20 5 EDBDHN Cn1cc(CN[C@@H]2CC23CC(O)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000897850391 591695472 /nfs/dbraw/zinc/69/54/72/591695472.db2.gz HNDJDDYGISBLOH-ISXOHVOVSA-N 0 3 328.372 1.998 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000902709151 592048581 /nfs/dbraw/zinc/04/85/81/592048581.db2.gz VCOIFYLVXGGQER-RISCZKNCSA-N 0 3 334.376 1.393 20 5 EDBDHN O=[N+]([O-])c1cc(CNC[C@H](O)C2(O)CCC2)cc(C(F)(F)F)c1 ZINC000905238375 592484018 /nfs/dbraw/zinc/48/40/18/592484018.db2.gz PWSBELPJQSMHSE-LBPRGKRZSA-N 0 3 334.294 1.979 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC000905447929 592528612 /nfs/dbraw/zinc/52/86/12/592528612.db2.gz VPALDYHFXHDUTE-NXEZZACHSA-N 0 3 344.236 1.776 20 5 EDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907548164 592702460 /nfs/dbraw/zinc/70/24/60/592702460.db2.gz OEQKOIDWHICTDN-YGRLFVJLSA-N 0 3 343.380 1.306 20 5 EDBDHN CN1CCC[C@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906623105 592860045 /nfs/dbraw/zinc/86/00/45/592860045.db2.gz WATYTGXDAJQGNY-GFCCVEGCSA-N 0 3 349.387 1.828 20 5 EDBDHN CN1CCC(N(CCO)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911933580 593038740 /nfs/dbraw/zinc/03/87/40/593038740.db2.gz LQOUWZVBRXXGRU-QPJJXVBHSA-N 0 3 333.388 1.523 20 5 EDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000761753440 593421567 /nfs/dbraw/zinc/42/15/67/593421567.db2.gz IKVVXXSKWBEWDC-GPCFVJJQSA-N 0 3 345.399 1.978 20 5 EDBDHN Cc1sc2ncn(CCC(=O)OCC(C)[N+](=O)[O-])c(=O)c2c1C ZINC000813102498 593517354 /nfs/dbraw/zinc/51/73/54/593517354.db2.gz GNNAGQIASMGMJO-MRVPVSSYSA-N 0 3 339.373 1.673 20 5 EDBDHN CCCn1c2ccccc2n(CCC(=O)OCC(C)[N+](=O)[O-])c1=O ZINC000813105811 593517690 /nfs/dbraw/zinc/51/76/90/593517690.db2.gz UWFXSVFTLREWMM-GFCCVEGCSA-N 0 3 335.360 1.812 20 5 EDBDHN CC(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[N+](=O)[O-] ZINC000813108366 593518121 /nfs/dbraw/zinc/51/81/21/593518121.db2.gz FDPBZWJOBDZXRS-JTQLQIEISA-N 0 3 339.304 1.253 20 5 EDBDHN CC(COC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)[N+](=O)[O-] ZINC000813106670 593518132 /nfs/dbraw/zinc/51/81/32/593518132.db2.gz FSEIZVLDKLJRGU-JTQLQIEISA-N 0 3 344.389 1.585 20 5 EDBDHN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813115363 593518719 /nfs/dbraw/zinc/51/87/19/593518719.db2.gz QCDVFZYMEKEJHS-GHMZBOCLSA-N 0 3 344.389 1.585 20 5 EDBDHN Cc1c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000816952214 593562747 /nfs/dbraw/zinc/56/27/47/593562747.db2.gz FNYFUHZYLYTOIW-RISCZKNCSA-N 0 3 348.359 1.896 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000817493245 593608035 /nfs/dbraw/zinc/60/80/35/593608035.db2.gz CVGIJYWJHOCXPG-LLVKDONJSA-N 0 3 338.383 1.966 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000817526246 593609454 /nfs/dbraw/zinc/60/94/54/593609454.db2.gz ASAIZKPCXDSOOD-KBPBESRZSA-N 0 3 333.388 1.805 20 5 EDBDHN CC(C)[N@H+]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000820751998 593880880 /nfs/dbraw/zinc/88/08/80/593880880.db2.gz JOURGSRNQUYGSP-GWCFXTLKSA-N 0 3 331.380 1.916 20 5 EDBDHN CC(C)[N@@H+]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000820751998 593880881 /nfs/dbraw/zinc/88/08/81/593880881.db2.gz JOURGSRNQUYGSP-GWCFXTLKSA-N 0 3 331.380 1.916 20 5 EDBDHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821623813 593884492 /nfs/dbraw/zinc/88/44/92/593884492.db2.gz SYPUBDFESSYCIW-STQMWFEESA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821623813 593884494 /nfs/dbraw/zinc/88/44/94/593884494.db2.gz SYPUBDFESSYCIW-STQMWFEESA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821623813 593884495 /nfs/dbraw/zinc/88/44/95/593884495.db2.gz SYPUBDFESSYCIW-STQMWFEESA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821623813 593884497 /nfs/dbraw/zinc/88/44/97/593884497.db2.gz SYPUBDFESSYCIW-STQMWFEESA-N 0 3 343.391 1.695 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000826678147 594553232 /nfs/dbraw/zinc/55/32/32/594553232.db2.gz XLRYOMCSUNCFRX-VIFPVBQESA-N 0 3 328.319 1.429 20 5 EDBDHN Cc1cc(F)cc(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000121459785 594990690 /nfs/dbraw/zinc/99/06/90/594990690.db2.gz SFFIQQYWNKOXJU-UHFFFAOYSA-N 0 3 338.383 1.362 20 5 EDBDHN CC[C@@H](C)N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000104687785 595057790 /nfs/dbraw/zinc/05/77/90/595057790.db2.gz UFTDWHKBTCIHAA-CQSZACIVSA-N 0 3 334.420 1.974 20 5 EDBDHN CC([C@@H](OC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875568 595085876 /nfs/dbraw/zinc/08/58/76/595085876.db2.gz NOXKNMSNHQDNIQ-UEKVPHQBSA-N 0 3 338.335 1.944 20 5 EDBDHN CC([C@@H](OC(=O)c1cc2n(n1)CCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845882588 595086852 /nfs/dbraw/zinc/08/68/52/595086852.db2.gz OSNHYIXXGKVDMU-LKFCYVNXSA-N 0 3 335.291 1.978 20 5 EDBDHN CC([C@@H](OC(=O)[C@H]1CCNC(=O)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881536 595087272 /nfs/dbraw/zinc/08/72/72/595087272.db2.gz LOYHCKXEPFARRD-UEKVPHQBSA-N 0 3 338.335 1.992 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-]CCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000842915953 595234273 /nfs/dbraw/zinc/23/42/73/595234273.db2.gz ODKCFUWDDVRFNF-UHFFFAOYSA-N 0 3 349.384 1.540 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000844040482 595254500 /nfs/dbraw/zinc/25/45/00/595254500.db2.gz NFMQEAKRDRMKAL-XURPKSDJSA-N 0 3 346.387 1.186 20 5 EDBDHN Cc1ccc([C@@H](O)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000843084956 595283314 /nfs/dbraw/zinc/28/33/14/595283314.db2.gz DYDAWMVMNRMGFC-HIFRSBDPSA-N 0 3 336.344 1.559 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000843103476 595287734 /nfs/dbraw/zinc/28/77/34/595287734.db2.gz BRWQBMFFRUIEKZ-BPQIPLTHSA-N 0 3 346.383 1.702 20 5 EDBDHN COC(=O)[C@@H]1CNCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843122470 595292476 /nfs/dbraw/zinc/29/24/76/595292476.db2.gz DAOIRSOYHHBKCX-ZDUSSCGKSA-N 0 3 327.768 1.585 20 5 EDBDHN CN(C)[C@@H]1CCCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848478090 595389470 /nfs/dbraw/zinc/38/94/70/595389470.db2.gz BNQSONNTYHOSHG-IAGOWNOFSA-N 0 3 346.431 1.894 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](N)CCN(C)C)n2)c1 ZINC000844917612 595414155 /nfs/dbraw/zinc/41/41/55/595414155.db2.gz UCVPYEVIUSIPLK-LBPRGKRZSA-N 0 3 335.364 1.529 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000112916837 595562616 /nfs/dbraw/zinc/56/26/16/595562616.db2.gz WCHXYGSNSUPWLR-GFCCVEGCSA-N 0 3 338.383 1.490 20 5 EDBDHN Cc1c(CN)c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)nn1C ZINC000852899429 595604396 /nfs/dbraw/zinc/60/43/96/595604396.db2.gz HNGMDFXUKDLICG-UHFFFAOYSA-N 0 3 348.319 1.564 20 5 EDBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C2 ZINC000854735463 596180936 /nfs/dbraw/zinc/18/09/36/596180936.db2.gz PXVUWRXPXHZEFN-INIZCTEOSA-N 0 3 336.367 1.874 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865584613 596618070 /nfs/dbraw/zinc/61/80/70/596618070.db2.gz YEUGGVZPGHASRT-GFCCVEGCSA-N 0 3 325.340 1.113 20 5 EDBDHN COCCCN(C)CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868310510 596783452 /nfs/dbraw/zinc/78/34/52/596783452.db2.gz UWEFFAXBZZZZGU-UHFFFAOYSA-N 0 3 338.408 1.671 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)CC2CC2)CC1 ZINC000939905696 700021390 /nfs/dbraw/zinc/02/13/90/700021390.db2.gz DWRJTHPEWVOIEJ-UHFFFAOYSA-N 0 3 335.408 1.599 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)C2CC=CC2)CC1 ZINC000940023045 700138055 /nfs/dbraw/zinc/13/80/55/700138055.db2.gz OEKWMSMABOIDSV-UHFFFAOYSA-N 0 3 347.419 1.765 20 5 EDBDHN O=C(c1cccnn1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000997114178 703366418 /nfs/dbraw/zinc/36/64/18/703366418.db2.gz NFZMPAUQHBKIJE-UHFFFAOYSA-N 0 3 347.400 1.841 20 5 EDBDHN CC[C@@]1(CO)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000187555181 529551501 /nfs/dbraw/zinc/55/15/01/529551501.db2.gz JYDWSRZHROOIQH-DOTOQJQBSA-N 0 3 338.404 1.819 20 5 EDBDHN Cc1nn(C)c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000179719324 282255677 /nfs/dbraw/zinc/25/56/77/282255677.db2.gz BZACHHMWEYDRTK-GFCCVEGCSA-N 0 3 345.403 1.887 20 5 EDBDHN Cc1nn(C)c(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000371348755 282272048 /nfs/dbraw/zinc/27/20/48/282272048.db2.gz CTOFWEIJWFCMFS-GXTWGEPZSA-N 0 3 336.440 1.099 20 5 EDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171447152 529785956 /nfs/dbraw/zinc/78/59/56/529785956.db2.gz RCSNCNWUSNLXES-CQSZACIVSA-N 0 3 332.404 1.971 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C)C2)cc1OC ZINC000104189142 219358901 /nfs/dbraw/zinc/35/89/01/219358901.db2.gz FNUQCAWBXVIICH-NSHDSACASA-N 0 3 337.376 1.684 20 5 EDBDHN CCN1CC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000412836968 304039847 /nfs/dbraw/zinc/03/98/47/304039847.db2.gz JIRHOTDGVLPDKB-GFCCVEGCSA-N 0 3 329.360 1.605 20 5 EDBDHN O=C1NCCN1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055904853 138149060 /nfs/dbraw/zinc/14/90/60/138149060.db2.gz KVYJVOYXWHYQGP-UHFFFAOYSA-N 0 3 348.403 1.853 20 5 EDBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104067459 138299611 /nfs/dbraw/zinc/29/96/11/138299611.db2.gz OBKZROTVGQHMHZ-INIZCTEOSA-N 0 3 332.404 1.509 20 5 EDBDHN COCCN(C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000130940981 138349954 /nfs/dbraw/zinc/34/99/54/138349954.db2.gz SGSYLUUDLFIFOB-UHFFFAOYSA-N 0 3 327.356 1.361 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000078279325 217037797 /nfs/dbraw/zinc/03/77/97/217037797.db2.gz AMMYDFADJZIBNT-LBPRGKRZSA-N 0 3 339.417 1.666 20 5 EDBDHN CCOCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000093314989 218214723 /nfs/dbraw/zinc/21/47/23/218214723.db2.gz PXRYGVBQIDISSM-UHFFFAOYSA-N 0 3 325.365 1.900 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CCC[NH2+]C2)cc1C ZINC000261816823 139228570 /nfs/dbraw/zinc/22/85/70/139228570.db2.gz GYFXFRAPVLOLPR-HNNXBMFYSA-N 0 3 341.433 1.880 20 5 EDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262275014 139265713 /nfs/dbraw/zinc/26/57/13/139265713.db2.gz TVCUFELUFMWSIB-RKVPGOIHSA-N 0 3 347.415 1.786 20 5 EDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC(=O)N(C)C1=O ZINC000424361966 252199499 /nfs/dbraw/zinc/19/94/99/252199499.db2.gz YFGPKJMYDYIVJO-MFKMUULPSA-N 0 3 348.359 1.049 20 5 EDBDHN COc1cc(OCC(=O)N(C)[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000153411560 533089215 /nfs/dbraw/zinc/08/92/15/533089215.db2.gz BILDUSNFSWWLAF-GFCCVEGCSA-N 0 3 337.376 1.535 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N2C[C@H](N(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000268124155 139721983 /nfs/dbraw/zinc/72/19/83/139721983.db2.gz AKFTUQDKYVLLLO-FZMZJTMJSA-N 0 3 334.376 1.250 20 5 EDBDHN CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1N(C)C ZINC000270540972 140119940 /nfs/dbraw/zinc/11/99/40/140119940.db2.gz XNIXQQPTBIDNEH-NEPJUHHUSA-N 0 3 342.396 1.434 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000572159389 306582469 /nfs/dbraw/zinc/58/24/69/306582469.db2.gz KDOWVNLELAZEAJ-FHLIZLRMSA-N 0 3 344.367 1.582 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000332259279 141148495 /nfs/dbraw/zinc/14/84/95/141148495.db2.gz DHGJOBFJXRDXOR-ZUZCIYMTSA-N 0 3 339.342 1.968 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N(C)C1 ZINC000346697283 143233337 /nfs/dbraw/zinc/23/33/37/143233337.db2.gz BTQBUPBMTZLPHE-CHWSQXEVSA-N 0 3 346.387 1.867 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000357839401 151168633 /nfs/dbraw/zinc/16/86/33/151168633.db2.gz YAQIWGHMLBJFEA-OCCSQVGLSA-N 0 3 343.387 1.579 20 5 EDBDHN CC(C)C[C@@H](CN(C)C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000362625855 152763075 /nfs/dbraw/zinc/76/30/75/152763075.db2.gz YZRUGJOAWFASPP-LBPRGKRZSA-N 0 3 325.413 1.619 20 5 EDBDHN CN(Cc1ccccc1)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370215658 155381007 /nfs/dbraw/zinc/38/10/07/155381007.db2.gz NDVDFSLPOQBHCA-MRXNPFEDSA-N 0 3 329.404 1.998 20 5 EDBDHN COc1ccc(CNC(=O)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000417201619 304384124 /nfs/dbraw/zinc/38/41/24/304384124.db2.gz WSZQKFBISKFLPQ-GFCCVEGCSA-N 0 3 344.318 1.400 20 5 EDBDHN COc1cc(CN[C@H]2CCN(c3ccn(C)n3)C2)c([N+](=O)[O-])cc1O ZINC000367701828 154234888 /nfs/dbraw/zinc/23/48/88/154234888.db2.gz UEHSQHSFVNSYCW-LBPRGKRZSA-N 0 3 347.375 1.411 20 5 EDBDHN CN(C(=O)CN1CCC[C@H](c2nc[nH]n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000374544372 157324195 /nfs/dbraw/zinc/32/41/95/157324195.db2.gz FTKHBPNNJQGFCJ-LBPRGKRZSA-N 0 3 344.375 1.555 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000078572491 287294453 /nfs/dbraw/zinc/29/44/53/287294453.db2.gz HAZPVTOXDKZSKT-LBPRGKRZSA-N 0 3 327.406 1.523 20 5 EDBDHN O=C(NCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccn[nH]1 ZINC000193275013 272990059 /nfs/dbraw/zinc/99/00/59/272990059.db2.gz UGWCGKAOSVCZIW-AWEZNQCLSA-N 0 3 329.360 1.715 20 5 EDBDHN CN(C)CCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000046721453 272912659 /nfs/dbraw/zinc/91/26/59/272912659.db2.gz VIIZCWNDCFUDFF-UHFFFAOYSA-N 0 3 333.348 1.370 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000277084943 273179646 /nfs/dbraw/zinc/17/96/46/273179646.db2.gz KYHCUKSFILRUMU-JSGCOSHPSA-N 0 3 339.417 1.721 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000277135280 273182692 /nfs/dbraw/zinc/18/26/92/273182692.db2.gz ZEUJAALYDKNANT-TZMCWYRMSA-N 0 3 341.433 1.782 20 5 EDBDHN C[C@@H]1NC(=O)CC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282449631 273653662 /nfs/dbraw/zinc/65/36/62/273653662.db2.gz SIYVKIMZJJDOMI-KWQFWETISA-N 0 3 340.767 1.443 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2CN2CCOCC2)cc1 ZINC000075889402 275037242 /nfs/dbraw/zinc/03/72/42/275037242.db2.gz KZWYKCNBSAUAAW-INIZCTEOSA-N 0 3 335.404 1.770 20 5 EDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000286877838 288110493 /nfs/dbraw/zinc/11/04/93/288110493.db2.gz XLXXETPHDGBPAO-XZJROXQQSA-N 0 3 343.387 1.590 20 5 EDBDHN COc1ccc(CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000292067374 289253737 /nfs/dbraw/zinc/25/37/37/289253737.db2.gz WXPQFIVADGUEMT-QGZVFWFLSA-N 0 3 348.403 1.841 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000408471887 290164263 /nfs/dbraw/zinc/16/42/63/290164263.db2.gz YDIFECCTPZIYMY-MFKMUULPSA-N 0 3 333.344 1.142 20 5 EDBDHN CN(C)C1(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000419809604 304687971 /nfs/dbraw/zinc/68/79/71/304687971.db2.gz KUAQSJHWTHUFKF-UHFFFAOYSA-N 0 3 340.767 1.397 20 5 EDBDHN COc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000295120731 303175770 /nfs/dbraw/zinc/17/57/70/303175770.db2.gz MIVGVKWSDFPCDZ-TVQRCGJNSA-N 0 3 337.351 1.955 20 5 EDBDHN COC[C@@]1(C(=O)OC)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295142933 303178986 /nfs/dbraw/zinc/17/89/86/303178986.db2.gz LFXIZBSPHUPCJE-GOEBONIOSA-N 0 3 338.360 1.140 20 5 EDBDHN CCn1c(CC[NH3+])nnc1Sc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC000297399713 303394917 /nfs/dbraw/zinc/39/49/17/303394917.db2.gz FPCREIUWLBNZMA-UHFFFAOYSA-N 0 3 333.377 1.735 20 5 EDBDHN CCn1c(CC[NH3+])nnc1Sc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC000297399713 303394919 /nfs/dbraw/zinc/39/49/19/303394919.db2.gz FPCREIUWLBNZMA-UHFFFAOYSA-N 0 3 333.377 1.735 20 5 EDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C1 ZINC000420418359 304799138 /nfs/dbraw/zinc/79/91/38/304799138.db2.gz LTBFXPWEQNLKEG-MRVPVSSYSA-N 0 3 339.295 1.254 20 5 EDBDHN CCc1ccccc1[C@H](N)CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000423989139 304922903 /nfs/dbraw/zinc/92/29/03/304922903.db2.gz YGOJWSCKYAYFLB-CQSZACIVSA-N 0 3 331.376 1.478 20 5 EDBDHN C[C@H]1C[C@@H](O)CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000429141760 305024516 /nfs/dbraw/zinc/02/45/16/305024516.db2.gz MBDPEBAHLJYWDE-AAEUAGOBSA-N 0 3 335.360 1.738 20 5 EDBDHN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447250836 305276207 /nfs/dbraw/zinc/27/62/07/305276207.db2.gz RXUVMBYAMCHOIB-SSDOTTSWSA-N 0 3 341.311 1.629 20 5 EDBDHN CC[C@@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000449533628 305313063 /nfs/dbraw/zinc/31/30/63/305313063.db2.gz BJURRYCUBWZCJH-ZYHUDNBSSA-N 0 3 326.349 1.396 20 5 EDBDHN O=C1CNC(=O)N1CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546372 305352594 /nfs/dbraw/zinc/35/25/94/305352594.db2.gz JDPIIKOOWZGHCU-CYBMUJFWSA-N 0 3 332.360 1.326 20 5 EDBDHN CNS(=O)(=O)CCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552649 305353097 /nfs/dbraw/zinc/35/30/97/305353097.db2.gz WWISWOYLYYXTHR-CQSZACIVSA-N 0 3 341.433 1.714 20 5 EDBDHN COc1c(C(=O)NC[C@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000452348773 305391063 /nfs/dbraw/zinc/39/10/63/305391063.db2.gz ANZJGVXROGITQY-GFCCVEGCSA-N 0 3 337.376 1.180 20 5 EDBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)ccc1OCCN(C)C ZINC000458214501 305501748 /nfs/dbraw/zinc/50/17/48/305501748.db2.gz PAUNSZFCJLLHJZ-UHFFFAOYSA-N 0 3 347.375 1.829 20 5 EDBDHN CCc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N(C)C)cc1 ZINC000548735648 306136335 /nfs/dbraw/zinc/13/63/35/306136335.db2.gz FMVHSIAKAYNQCJ-AWEZNQCLSA-N 0 3 331.376 1.913 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000044670125 440869837 /nfs/dbraw/zinc/86/98/37/440869837.db2.gz CBSVUSSXKIWWJL-AWEZNQCLSA-N 0 3 329.360 1.182 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000073842147 441359263 /nfs/dbraw/zinc/35/92/63/441359263.db2.gz ZERPHXSZEJOJDE-LLVKDONJSA-N 0 3 325.390 1.357 20 5 EDBDHN C[C@H]1CN(C)c2ccccc2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000083248694 441359952 /nfs/dbraw/zinc/35/99/52/441359952.db2.gz LTFLQNNGFNEERG-BBRMVZONSA-N 0 3 345.403 1.493 20 5 EDBDHN COC(=O)c1cc(C(=O)NCCN2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000107631015 441422128 /nfs/dbraw/zinc/42/21/28/441422128.db2.gz FUAAPYHCBOTARD-GFCCVEGCSA-N 0 3 349.387 1.843 20 5 EDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCN(CC2CC2)C1 ZINC000108297108 441441574 /nfs/dbraw/zinc/44/15/74/441441574.db2.gz SPMRYYNMONGWCL-AWEZNQCLSA-N 0 3 333.388 1.964 20 5 EDBDHN CN1CCC[C@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000108329721 441446173 /nfs/dbraw/zinc/44/61/73/441446173.db2.gz ZBYANYDIBIEJCE-GFCCVEGCSA-N 0 3 344.375 1.247 20 5 EDBDHN CN(C)Cc1cccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000065777602 441484015 /nfs/dbraw/zinc/48/40/15/441484015.db2.gz BGCSNZURUKUHLD-UHFFFAOYSA-N 0 3 331.376 1.559 20 5 EDBDHN C[C@@H]1CCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000088726317 441518206 /nfs/dbraw/zinc/51/82/06/441518206.db2.gz VQKLRGQXAUJEQC-VXGBXAGGSA-N 0 3 327.406 1.651 20 5 EDBDHN Cc1c(C(=O)NCCN(C)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000066924339 441588509 /nfs/dbraw/zinc/58/85/09/441588509.db2.gz FDEDAAOVJHPYDG-UHFFFAOYSA-N 0 3 344.375 1.308 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000041597170 441661542 /nfs/dbraw/zinc/66/15/42/441661542.db2.gz UOQKFSJOLBHSLL-LBPRGKRZSA-N 0 3 334.376 1.442 20 5 EDBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000056168336 441693988 /nfs/dbraw/zinc/69/39/88/441693988.db2.gz WMIAXZTVWICULI-OCCSQVGLSA-N 0 3 344.375 1.138 20 5 EDBDHN CCN1CCN([C@@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000114562993 441667838 /nfs/dbraw/zinc/66/78/38/441667838.db2.gz GUCZJJQUTLLFTE-GOSISDBHSA-N 0 3 332.448 1.849 20 5 EDBDHN CC(C)N(C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077125572 441719882 /nfs/dbraw/zinc/71/98/82/441719882.db2.gz LGBVTMAUUJDVEM-UHFFFAOYSA-N 0 3 348.403 1.219 20 5 EDBDHN COc1ccccc1[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N(C)C ZINC000158936984 441773990 /nfs/dbraw/zinc/77/39/90/441773990.db2.gz CUXBTBOHLSAHNK-NSHDSACASA-N 0 3 333.348 1.359 20 5 EDBDHN CN1CCC(O)(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000077660323 441825275 /nfs/dbraw/zinc/82/52/75/441825275.db2.gz SEOCFEFILLXYDP-UHFFFAOYSA-N 0 3 342.783 1.826 20 5 EDBDHN CN1CCC(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000043179877 441825522 /nfs/dbraw/zinc/82/55/22/441825522.db2.gz MFKQEWJTXSEJEO-UHFFFAOYSA-N 0 3 347.419 1.521 20 5 EDBDHN CCN1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000069126774 441895716 /nfs/dbraw/zinc/89/57/16/441895716.db2.gz CGHRXBDHRNUYBF-UHFFFAOYSA-N 0 3 337.376 1.583 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000174183976 441899151 /nfs/dbraw/zinc/89/91/51/441899151.db2.gz HHWFZODNORRPOH-HNNXBMFYSA-N 0 3 346.387 1.759 20 5 EDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c1 ZINC000151725307 442111306 /nfs/dbraw/zinc/11/13/06/442111306.db2.gz VYBPKKHFBLIRGU-CYBMUJFWSA-N 0 3 339.417 1.499 20 5 EDBDHN CC(C)N(CCN(C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000151775009 442118824 /nfs/dbraw/zinc/11/88/24/442118824.db2.gz ZAASFLDOGVMZQA-UHFFFAOYSA-N 0 3 327.356 1.911 20 5 EDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CN(C)C ZINC000120617915 442105978 /nfs/dbraw/zinc/10/59/78/442105978.db2.gz UXZRFJMRGOVHSJ-HNNXBMFYSA-N 0 3 341.433 1.749 20 5 EDBDHN COCCN(C)CCCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080011708 442107378 /nfs/dbraw/zinc/10/73/78/442107378.db2.gz ZRLSDTZYNSQWHR-CYBMUJFWSA-N 0 3 338.408 1.923 20 5 EDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H](O)COCc1ccccc1 ZINC000176240785 442198027 /nfs/dbraw/zinc/19/80/27/442198027.db2.gz FBHHTKORGZHSMM-HNNXBMFYSA-N 0 3 334.376 1.301 20 5 EDBDHN COc1cc(OCC(=O)N2CC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000171453210 442349590 /nfs/dbraw/zinc/34/95/90/442349590.db2.gz QVFGYIYRRDRJMK-ZDUSSCGKSA-N 0 3 349.387 1.679 20 5 EDBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000171752071 442377228 /nfs/dbraw/zinc/37/72/28/442377228.db2.gz NGMFMRNCOTWMQG-ZDUSSCGKSA-N 0 3 329.360 1.311 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000156081578 442446037 /nfs/dbraw/zinc/44/60/37/442446037.db2.gz XMWPVOHEXJMVRA-CYBMUJFWSA-N 0 3 349.435 1.908 20 5 EDBDHN C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H](c1ccccc1)N(C)C ZINC000186473842 442541539 /nfs/dbraw/zinc/54/15/39/442541539.db2.gz VKKUJBVMHPBAHT-BXUZGUMPSA-N 0 3 331.376 1.750 20 5 EDBDHN CCCN1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135537250 442609098 /nfs/dbraw/zinc/60/90/98/442609098.db2.gz WUDLSJMMHVOSDS-DZGCQCFKSA-N 0 3 347.419 1.877 20 5 EDBDHN NC(=O)C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182021284 442729074 /nfs/dbraw/zinc/72/90/74/442729074.db2.gz UIYXLRVFIHHGEE-AWEZNQCLSA-N 0 3 348.403 1.947 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C)CC[NH2+]CC2)c1C ZINC000193376853 442737384 /nfs/dbraw/zinc/73/73/84/442737384.db2.gz PUKLZKFEYUCSIA-UHFFFAOYSA-N 0 3 341.433 1.880 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000265514329 442804195 /nfs/dbraw/zinc/80/41/95/442804195.db2.gz GPUNKCQZHCAXMM-GXTWGEPZSA-N 0 3 336.392 1.676 20 5 EDBDHN C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CN1CCCCC1 ZINC000193974301 442822300 /nfs/dbraw/zinc/82/23/00/442822300.db2.gz HHQYYOWPAXZOEE-ZDUSSCGKSA-N 0 3 341.433 1.995 20 5 EDBDHN O=C(CCN1CCN(C2CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000188888020 442836562 /nfs/dbraw/zinc/83/65/62/442836562.db2.gz XQFBMBXKQLJZQH-UHFFFAOYSA-N 0 3 336.367 1.843 20 5 EDBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000268086906 442841626 /nfs/dbraw/zinc/84/16/26/442841626.db2.gz AVZRMVDIGGZMDA-WCQYABFASA-N 0 3 349.387 1.825 20 5 EDBDHN COc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000268143553 442867813 /nfs/dbraw/zinc/86/78/13/442867813.db2.gz DREXWJNKQSZFNG-GWCFXTLKSA-N 0 3 349.387 1.825 20 5 EDBDHN CN(CCCN1CCN(C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000182959243 442854477 /nfs/dbraw/zinc/85/44/77/442854477.db2.gz XLHZMPHIBKEROM-UHFFFAOYSA-N 0 3 347.419 1.805 20 5 EDBDHN O=C1CC[C@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1 ZINC000296521155 318704653 /nfs/dbraw/zinc/70/46/53/318704653.db2.gz MQMPXYAYQUWAMB-AWEZNQCLSA-N 0 3 332.404 1.633 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255440376 443098946 /nfs/dbraw/zinc/09/89/46/443098946.db2.gz KRKXXQKAUKNKFM-WUKHSURWSA-N 0 3 346.431 1.750 20 5 EDBDHN CCCC[C@H](COC)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000268878645 443135251 /nfs/dbraw/zinc/13/52/51/443135251.db2.gz HSBJJDRNZYPNCY-KBMXLJTQSA-N 0 3 326.393 1.784 20 5 EDBDHN CC(=O)N1CCN(CCN[C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000268831010 443120781 /nfs/dbraw/zinc/12/07/81/443120781.db2.gz QWTJRLWRPCMUIN-CQSZACIVSA-N 0 3 334.420 1.718 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@@H](C[NH3+])C2)cc1C ZINC000382485788 319123931 /nfs/dbraw/zinc/12/39/31/319123931.db2.gz GPCVJWONYMUOQT-VXGBXAGGSA-N 0 3 327.406 1.617 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@H](C[NH3+])C2)cc1C ZINC000382485786 319123986 /nfs/dbraw/zinc/12/39/86/319123986.db2.gz GPCVJWONYMUOQT-NWDGAFQWSA-N 0 3 327.406 1.617 20 5 EDBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000411984873 319217909 /nfs/dbraw/zinc/21/79/09/319217909.db2.gz NVLYLNKNHSTLOC-OAHLLOKOSA-N 0 3 329.404 1.998 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413078518 319263623 /nfs/dbraw/zinc/26/36/23/319263623.db2.gz NFGAFAXURTZTPH-LBPRGKRZSA-N 0 3 325.388 1.814 20 5 EDBDHN CC(C)(C)c1ccc(NC(=O)C(=O)NC(C)(C)CN)cc1[N+](=O)[O-] ZINC000415381301 319362867 /nfs/dbraw/zinc/36/28/67/319362867.db2.gz NLCDONARXQPIGD-UHFFFAOYSA-N 0 3 336.392 1.684 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185841554 443267668 /nfs/dbraw/zinc/26/76/68/443267668.db2.gz HUUYEWOGOMRGNX-RISCZKNCSA-N 0 3 327.406 1.556 20 5 EDBDHN O=[N+]([O-])c1cccc(OCCN2CCN(C3CCOCC3)CC2)c1 ZINC000267013941 443313732 /nfs/dbraw/zinc/31/37/32/443313732.db2.gz IMXCNWKBNNHROS-UHFFFAOYSA-N 0 3 335.404 1.770 20 5 EDBDHN COc1ccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272447522 443320622 /nfs/dbraw/zinc/32/06/22/443320622.db2.gz MBWSUMJEPNDUCX-UKRRQHHQSA-N 0 3 348.403 1.839 20 5 EDBDHN Cc1cc(C(=O)NC[C@]2(N(C)C)CCSC2)c(N)c([N+](=O)[O-])c1 ZINC000267100320 443341456 /nfs/dbraw/zinc/34/14/56/443341456.db2.gz KPONRJYJBRRWJQ-OAHLLOKOSA-N 0 3 338.433 1.653 20 5 EDBDHN C[C@@H](Cn1cccn1)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265075426 443525079 /nfs/dbraw/zinc/52/50/79/443525079.db2.gz OUNYIQVZCPBVRP-JTQLQIEISA-N 0 3 347.331 1.137 20 5 EDBDHN CC(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000272271243 443575693 /nfs/dbraw/zinc/57/56/93/443575693.db2.gz KNIOYCGGTDPJDK-MRVPVSSYSA-N 0 3 334.781 1.340 20 5 EDBDHN CC(C)[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000449193304 320177801 /nfs/dbraw/zinc/17/78/01/320177801.db2.gz ZZMOSNVHBCIVOU-WMLDXEAASA-N 0 3 349.431 1.999 20 5 EDBDHN COC(=O)c1cc(C(=O)N(C)C2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000298201748 443719136 /nfs/dbraw/zinc/71/91/36/443719136.db2.gz HZJJOTQJYGIKMM-UHFFFAOYSA-N 0 3 335.360 1.548 20 5 EDBDHN CN1CCO[C@@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284956978 443798150 /nfs/dbraw/zinc/79/81/50/443798150.db2.gz XEBZTTAQRTXZND-DLBZAZTESA-N 0 3 335.404 1.769 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCC[C@@H](O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298455124 443773177 /nfs/dbraw/zinc/77/31/77/443773177.db2.gz RHEBSWVMXODOKI-XHDPSFHLSA-N 0 3 337.376 1.777 20 5 EDBDHN CN1CC[C@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285310891 443937284 /nfs/dbraw/zinc/93/72/84/443937284.db2.gz QMFNQTBZPCUTGK-BUWFCSEKSA-N 0 3 331.372 1.540 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])CCn1cc([N+](=O)[O-])ccc1=O ZINC000285428359 443981145 /nfs/dbraw/zinc/98/11/45/443981145.db2.gz WJSBJLDBKQRONI-UHFFFAOYSA-N 0 3 346.343 1.839 20 5 EDBDHN C[C@@H](C(=O)NCCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562400430 321055658 /nfs/dbraw/zinc/05/56/58/321055658.db2.gz XLVNPQPAHRDLBC-CYBMUJFWSA-N 0 3 335.404 1.661 20 5 EDBDHN O=C1[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000565653544 321195150 /nfs/dbraw/zinc/19/51/50/321195150.db2.gz FLHCQMRHGVDYQK-MELADBBJSA-N 0 3 349.387 1.078 20 5 EDBDHN CC(C)N1CC[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000567581855 321246712 /nfs/dbraw/zinc/24/67/12/321246712.db2.gz SCUKJQNTSFMRJI-ZDUSSCGKSA-N 0 3 334.376 1.522 20 5 EDBDHN O=C(CCN1CCNC[C@@H]1C(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000567889290 321265971 /nfs/dbraw/zinc/26/59/71/321265971.db2.gz IYIXQVAYOSODKG-GFCCVEGCSA-N 0 3 328.319 1.462 20 5 EDBDHN O=C(CCC(=O)N1CCN2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000294684956 444136376 /nfs/dbraw/zinc/13/63/76/444136376.db2.gz SCJHJBSXYKHCRW-HNNXBMFYSA-N 0 3 331.372 1.864 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(CN3CCOCC3)CC2)c1 ZINC000305165530 444262439 /nfs/dbraw/zinc/26/24/39/444262439.db2.gz HJHHHZDSDTZUMC-SFHVURJKSA-N 0 3 349.431 1.672 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)[C@@H](C)OC ZINC000290481905 444286571 /nfs/dbraw/zinc/28/65/71/444286571.db2.gz HHKGCJQFKMNSQG-GMTAPVOTSA-N 0 3 325.365 1.943 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@H]1CO ZINC000297766414 444331069 /nfs/dbraw/zinc/33/10/69/444331069.db2.gz FVRBPOAYYDZCEV-ZDUSSCGKSA-N 0 3 337.376 1.779 20 5 EDBDHN Cc1c(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000331192483 444437867 /nfs/dbraw/zinc/43/78/67/444437867.db2.gz QKTDIVXOGCGESK-ZIAGYGMSSA-N 0 3 341.433 1.853 20 5 EDBDHN COC[C@@H](C)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580549044 322065418 /nfs/dbraw/zinc/06/54/18/322065418.db2.gz JWAKZYJLRIOCSN-LBPRGKRZSA-N 0 3 345.421 1.087 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000341316303 444776302 /nfs/dbraw/zinc/77/63/02/444776302.db2.gz JBOQJENZCSFBFL-BLLLJJGKSA-N 0 3 332.404 1.919 20 5 EDBDHN C[C@@H](Cn1cccn1)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344447553 444978324 /nfs/dbraw/zinc/97/83/24/444978324.db2.gz LLYNWCDIYSJZLY-WFASDCNBSA-N 0 3 329.360 1.575 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1C[C@@H](F)CN1c1ccncn1 ZINC000348183654 445308666 /nfs/dbraw/zinc/30/86/66/445308666.db2.gz SXWGWRXBPQSHLB-CHWSQXEVSA-N 0 3 349.370 1.130 20 5 EDBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351730274 445297187 /nfs/dbraw/zinc/29/71/87/445297187.db2.gz KRMCGPRMOOPPSR-LBPRGKRZSA-N 0 3 335.408 1.812 20 5 EDBDHN Cc1c(Br)c(N2C[C@H](O)[C@@H](N(C)C)C2)ncc1[N+](=O)[O-] ZINC000359980982 445513100 /nfs/dbraw/zinc/51/31/00/445513100.db2.gz JDMJXLMSTMBTCV-UWVGGRQHSA-N 0 3 345.197 1.172 20 5 EDBDHN CN(C)CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000356292610 445721588 /nfs/dbraw/zinc/72/15/88/445721588.db2.gz QTEWSDHFPZDJRB-UHFFFAOYSA-N 0 3 343.387 1.947 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000353741723 445734772 /nfs/dbraw/zinc/73/47/72/445734772.db2.gz VAWXAUBILKLOJZ-CYBMUJFWSA-N 0 3 338.360 1.805 20 5 EDBDHN Cc1ccncc1C1=CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000372923182 445923355 /nfs/dbraw/zinc/92/33/55/445923355.db2.gz CSESACHRVOGPNO-MRXNPFEDSA-N 0 3 343.387 1.645 20 5 EDBDHN CN1CCC(n2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])n2)CC1 ZINC000373232707 446108697 /nfs/dbraw/zinc/10/86/97/446108697.db2.gz CUBUXWOMPGCUTP-UHFFFAOYSA-N 0 3 343.387 2.239 20 5 EDBDHN C[C@@H](CO)N1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000373740103 446319578 /nfs/dbraw/zinc/31/95/78/446319578.db2.gz DTHCETJSPYEZJC-LBPRGKRZSA-N 0 3 334.376 1.625 20 5 EDBDHN C[C@H](CO)N1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000373740102 446319962 /nfs/dbraw/zinc/31/99/62/446319962.db2.gz DTHCETJSPYEZJC-GFCCVEGCSA-N 0 3 334.376 1.625 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000374831164 446410575 /nfs/dbraw/zinc/41/05/75/446410575.db2.gz WXTOVCFWYLSIED-GXTWGEPZSA-N 0 3 349.387 1.587 20 5 EDBDHN NCc1cn([C@@H]2CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)nn1 ZINC000420390233 446564836 /nfs/dbraw/zinc/56/48/36/446564836.db2.gz ZBOYCOMQIGJKHV-GFCCVEGCSA-N 0 3 334.355 1.621 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000367194956 446521070 /nfs/dbraw/zinc/52/10/70/446521070.db2.gz LIQQDCRSOKWBEK-LBPRGKRZSA-N 0 3 327.406 1.632 20 5 EDBDHN COC[C@@H]1C[C@H](O)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000411908665 446719615 /nfs/dbraw/zinc/71/96/15/446719615.db2.gz ILULCIKZJOXTSE-GJZGRUSLSA-N 0 3 347.371 1.874 20 5 EDBDHN COCCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979790 446953178 /nfs/dbraw/zinc/95/31/78/446953178.db2.gz ZYBPOPZCUOPTPD-UHFFFAOYSA-N 0 3 345.421 1.232 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000421294338 447108009 /nfs/dbraw/zinc/10/80/09/447108009.db2.gz GLXQVLSMOLCKFE-LBPRGKRZSA-N 0 3 334.376 1.394 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421297261 447111458 /nfs/dbraw/zinc/11/14/58/447111458.db2.gz LDSYXCATHDRSJI-AWEZNQCLSA-N 0 3 348.403 1.648 20 5 EDBDHN CC1(C)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000446060127 447222684 /nfs/dbraw/zinc/22/26/84/447222684.db2.gz LRHFYISDGIMLQJ-OAHLLOKOSA-N 0 3 349.387 1.986 20 5 EDBDHN CNc1nc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000456025210 447286610 /nfs/dbraw/zinc/28/66/10/447286610.db2.gz CEQVLNSXEXCCAO-INIZCTEOSA-N 0 3 333.392 1.589 20 5 EDBDHN Cc1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c(N)c([N+](=O)[O-])c1 ZINC000369020708 447268638 /nfs/dbraw/zinc/26/86/38/447268638.db2.gz ANZDQNPNRGSWQT-NWDGAFQWSA-N 0 3 334.376 1.078 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@]3(CCOC3)C2)c1 ZINC000451900007 447777392 /nfs/dbraw/zinc/77/73/92/447777392.db2.gz JOOCYQNFHPPSFH-DOTOQJQBSA-N 0 3 336.388 1.837 20 5 EDBDHN CC(C)[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487964618 447839392 /nfs/dbraw/zinc/83/93/92/447839392.db2.gz PTVFERDRNWMNDJ-INIZCTEOSA-N 0 3 334.420 1.830 20 5 EDBDHN COc1ccc(CC(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000523741092 447905984 /nfs/dbraw/zinc/90/59/84/447905984.db2.gz XJTJAOLNBDAQRN-AWEZNQCLSA-N 0 3 335.404 1.946 20 5 EDBDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000565782573 448380456 /nfs/dbraw/zinc/38/04/56/448380456.db2.gz CUEGDDRSXUMRMI-LBPRGKRZSA-N 0 3 335.408 1.956 20 5 EDBDHN O=c1[nH]cnc2cc(NC[C@@H]3CCCN3CCCO)c([N+](=O)[O-])cc12 ZINC000516848133 448479704 /nfs/dbraw/zinc/47/97/04/448479704.db2.gz HYBWZFNNMZJIAT-NSHDSACASA-N 0 3 347.375 1.502 20 5 EDBDHN COc1ccc2c(c1)OCC[C@@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591744207 448480676 /nfs/dbraw/zinc/48/06/76/448480676.db2.gz CRPURRFBZJVAQD-WFASDCNBSA-N 0 3 348.359 1.274 20 5 EDBDHN O=C(CCN[C@@H]1C[C@H](O)[C@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000517372148 448578293 /nfs/dbraw/zinc/57/82/93/448578293.db2.gz VVTCEEAKOZFJSB-INWMFGNUSA-N 0 3 345.359 1.084 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592252044 448762832 /nfs/dbraw/zinc/76/28/32/448762832.db2.gz QHXVBSKGFRCJSJ-UHFFFAOYSA-N 0 3 334.376 1.923 20 5 EDBDHN C[C@@H]1CCCN(CCNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000585703489 448742021 /nfs/dbraw/zinc/74/20/21/448742021.db2.gz ZVZRXVBTLDDRTD-GFCCVEGCSA-N 0 3 347.419 1.929 20 5 EDBDHN COCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000579494615 448810144 /nfs/dbraw/zinc/81/01/44/448810144.db2.gz UHMLCLFBKNTRBZ-ZDUSSCGKSA-N 0 3 338.408 2.300 20 5 EDBDHN C[C@@H](CCN(C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519502042 448773800 /nfs/dbraw/zinc/77/38/00/448773800.db2.gz KNMMJRSENALQSC-LBPRGKRZSA-N 0 3 329.422 1.298 20 5 EDBDHN Cc1ccc(NCCCNC(=O)COC2(C)CNC2)c([N+](=O)[O-])c1 ZINC000592535693 448887133 /nfs/dbraw/zinc/88/71/33/448887133.db2.gz ZWYWSRKFCRYUDI-UHFFFAOYSA-N 0 3 336.392 1.200 20 5 EDBDHN CNc1nccc(C(=O)Nc2ccccc2CN(C)C)c1[N+](=O)[O-] ZINC000580445990 448948596 /nfs/dbraw/zinc/94/85/96/448948596.db2.gz AFWVMQOTCJZJRQ-UHFFFAOYSA-N 0 3 329.360 2.345 20 5 EDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522383615 449078880 /nfs/dbraw/zinc/07/88/80/449078880.db2.gz GZWRJKBVXKWMEB-NSHDSACASA-N 0 3 335.360 1.737 20 5 EDBDHN C[C@H](CO)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000593081326 449125883 /nfs/dbraw/zinc/12/58/83/449125883.db2.gz CHRTWHJXZJNYAC-CZUORRHYSA-N 0 3 338.404 1.675 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599940822 449118702 /nfs/dbraw/zinc/11/87/02/449118702.db2.gz RLYVPLRCOIYVAR-KBPBESRZSA-N 0 3 333.388 1.493 20 5 EDBDHN Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590399901 449146987 /nfs/dbraw/zinc/14/69/87/449146987.db2.gz QBWXHJYWRQMMNP-GDBMZVCRSA-N 0 3 333.388 1.838 20 5 EDBDHN Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000590399160 449148145 /nfs/dbraw/zinc/14/81/45/449148145.db2.gz CGYZGIHLOPCVNM-JKSUJKDBSA-N 0 3 333.388 1.838 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC2(COC2)C1 ZINC000595832001 449196619 /nfs/dbraw/zinc/19/66/19/449196619.db2.gz AUCQBXLYHLLJFV-UHFFFAOYSA-N 0 3 333.344 1.615 20 5 EDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)[C@@H](CN)C(F)(F)F ZINC000595908638 449246543 /nfs/dbraw/zinc/24/65/43/449246543.db2.gz ODOICICUBOLXCX-KWQFWETISA-N 0 3 334.298 1.743 20 5 EDBDHN CCc1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000595947372 449273394 /nfs/dbraw/zinc/27/33/94/449273394.db2.gz KPUHZMUCONKYLC-UHFFFAOYSA-N 0 3 331.332 1.042 20 5 EDBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000598062671 449224442 /nfs/dbraw/zinc/22/44/42/449224442.db2.gz UCZPVFLLJSUAME-UHFFFAOYSA-N 0 3 344.375 1.355 20 5 EDBDHN COc1cccc([N+](=O)[O-])c1N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000596014932 449316814 /nfs/dbraw/zinc/31/68/14/449316814.db2.gz WYDLLKJAMIIHDR-LBPRGKRZSA-N 0 3 332.364 1.495 20 5 EDBDHN CCN1CCN([C@@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525606 449321966 /nfs/dbraw/zinc/32/19/66/449321966.db2.gz ODABDNLGWSRYFR-LBPRGKRZSA-N 0 3 337.424 1.107 20 5 EDBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593557056 449346762 /nfs/dbraw/zinc/34/67/62/449346762.db2.gz RBHYSXKWSZTUJX-GFCCVEGCSA-N 0 3 342.421 1.485 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342093 449356583 /nfs/dbraw/zinc/35/65/83/449356583.db2.gz DYGMSRYACVJXLB-TZMCWYRMSA-N 0 3 348.403 1.314 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594236619 449404027 /nfs/dbraw/zinc/40/40/27/449404027.db2.gz XTTOEFIDXWKRER-AEGPPILISA-N 0 3 348.403 1.425 20 5 EDBDHN O=c1[n-]ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596142124 449382764 /nfs/dbraw/zinc/38/27/64/449382764.db2.gz DLPUWMJZTLBISO-QGZVFWFLSA-N 0 3 344.371 1.744 20 5 EDBDHN O=c1[n-]ccc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596142124 449382766 /nfs/dbraw/zinc/38/27/66/449382766.db2.gz DLPUWMJZTLBISO-QGZVFWFLSA-N 0 3 344.371 1.744 20 5 EDBDHN NC(=O)c1cc(N2CCC(N3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596267977 449446396 /nfs/dbraw/zinc/44/63/96/449446396.db2.gz DXTXGNXIJYSYIR-UHFFFAOYSA-N 0 3 348.403 1.385 20 5 EDBDHN O=C1[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C1CCC1 ZINC000600759469 449537321 /nfs/dbraw/zinc/53/73/21/449537321.db2.gz GPNKJGNFOHHECA-UONOGXRCSA-N 0 3 349.387 1.078 20 5 EDBDHN CN1CCN(CCCCNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602510088 449638591 /nfs/dbraw/zinc/63/85/91/449638591.db2.gz JKIKRVKRPXXXEY-UHFFFAOYSA-N 0 3 347.419 1.853 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCO[C@@H]2CC2(F)F)c1 ZINC000594715784 449643648 /nfs/dbraw/zinc/64/36/48/449643648.db2.gz CNIKDXGSKURGTE-WCQYABFASA-N 0 3 332.303 1.348 20 5 EDBDHN C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)C(F)(F)F ZINC000602741332 449777064 /nfs/dbraw/zinc/77/70/64/449777064.db2.gz ARPABSOBXOTSGK-NOZJJQNGSA-N 0 3 348.325 1.860 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)c1[N+](=O)[O-] ZINC000595122637 449884017 /nfs/dbraw/zinc/88/40/17/449884017.db2.gz PPEQYHFRFGRVCG-GHMZBOCLSA-N 0 3 331.369 1.271 20 5 EDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000602957734 449957891 /nfs/dbraw/zinc/95/78/91/449957891.db2.gz PKDYMIKGEOSCSI-ZDUSSCGKSA-N 0 3 333.392 1.812 20 5 EDBDHN NC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC2(CCC2)C1 ZINC000595247852 449973911 /nfs/dbraw/zinc/97/39/11/449973911.db2.gz ARVJGXKXYISVNY-UHFFFAOYSA-N 0 3 344.415 1.905 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595257184 449980595 /nfs/dbraw/zinc/98/05/95/449980595.db2.gz IDJKLDLHOKARPX-CYBMUJFWSA-N 0 3 331.332 1.091 20 5 EDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCN(CC2CC2)C1 ZINC000609383122 450021308 /nfs/dbraw/zinc/02/13/08/450021308.db2.gz JLSYPNNLHAJESR-AWEZNQCLSA-N 0 3 332.404 1.997 20 5 EDBDHN COc1cc(C(=O)NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000609383421 450020634 /nfs/dbraw/zinc/02/06/34/450020634.db2.gz ZQWHBMZTMCIAQF-NSHDSACASA-N 0 3 337.376 1.684 20 5 EDBDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000615312757 450059645 /nfs/dbraw/zinc/05/96/45/450059645.db2.gz HWSJQPSEUFMOLF-ZDUSSCGKSA-N 0 3 348.403 1.832 20 5 EDBDHN COCC[C@@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609708069 450087621 /nfs/dbraw/zinc/08/76/21/450087621.db2.gz BTUWGJHSJPUPRI-OAHLLOKOSA-N 0 3 326.349 1.243 20 5 EDBDHN CNc1nccc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000597709938 450213602 /nfs/dbraw/zinc/21/36/02/450213602.db2.gz DKFFQIQULARQCO-INIZCTEOSA-N 0 3 333.392 1.589 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000616089255 450318326 /nfs/dbraw/zinc/31/83/26/450318326.db2.gz QGTRENULHHZIJM-SNVBAGLBSA-N 0 3 326.349 1.396 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000618924579 450342406 /nfs/dbraw/zinc/34/24/06/450342406.db2.gz ZKTJJVWEFORKAR-QGZVFWFLSA-N 0 3 335.404 1.443 20 5 EDBDHN CCN(CCO)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000183987807 528545825 /nfs/dbraw/zinc/54/58/25/528545825.db2.gz XCGSZZUVNUZYOF-UHFFFAOYSA-N 0 3 327.406 1.361 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCN1C ZINC000741725724 579426262 /nfs/dbraw/zinc/42/62/62/579426262.db2.gz SIWRMNAWNGYFIG-AAEUAGOBSA-N 0 3 335.360 1.385 20 5 EDBDHN COc1ccc([C@H](O)CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749672207 579734293 /nfs/dbraw/zinc/73/42/93/579734293.db2.gz QDBLEDODNAVANB-SJORKVTESA-N 0 3 332.356 1.960 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000750036262 579749317 /nfs/dbraw/zinc/74/93/17/579749317.db2.gz KHKMIHQKOCWHGC-MSOLQXFVSA-N 0 3 349.431 1.815 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000758331011 579980050 /nfs/dbraw/zinc/98/00/50/579980050.db2.gz LWCVVIGZOMLIDC-IAQYHMDHSA-N 0 3 343.387 1.543 20 5 EDBDHN COC(=O)C[C@@]1(NCCOc2ccccc2[N+](=O)[O-])CCCOC1 ZINC000770699096 580268255 /nfs/dbraw/zinc/26/82/55/580268255.db2.gz HTNCXZUTCHPJCS-INIZCTEOSA-N 0 3 338.360 1.676 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H]2CN2CCOCC2)cc1 ZINC000776589476 580422814 /nfs/dbraw/zinc/42/28/14/580422814.db2.gz SLQINZMTYBAREK-IRXDYDNUSA-N 0 3 335.404 1.425 20 5 EDBDHN C[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000782004159 580563596 /nfs/dbraw/zinc/56/35/96/580563596.db2.gz HZIUIOPEELNTIY-BBRMVZONSA-N 0 3 337.420 1.405 20 5 EDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000783442581 580600119 /nfs/dbraw/zinc/60/01/19/580600119.db2.gz XMLVQDMAKHELLX-AWEZNQCLSA-N 0 3 345.359 1.394 20 5 EDBDHN COC(=O)[C@H]1[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C[C@@H]21 ZINC000794992396 580910394 /nfs/dbraw/zinc/91/03/94/580910394.db2.gz VCYODJLLSCIWDT-VIKVFOODSA-N 0 3 347.371 1.583 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1CC[C@@H](C)C1 ZINC000892203731 590863082 /nfs/dbraw/zinc/86/30/82/590863082.db2.gz UQMLEUNIIKFYFE-GFCCVEGCSA-N 0 3 336.392 1.744 20 5 EDBDHN COCCN(C)CCNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000892687633 591130637 /nfs/dbraw/zinc/13/06/37/591130637.db2.gz NGRHBFWFWCNSBV-ZDUSSCGKSA-N 0 3 338.408 1.576 20 5 EDBDHN Cc1cc(CN(C)C)ccc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000909612546 591854390 /nfs/dbraw/zinc/85/43/90/591854390.db2.gz MZNCWUQHGSQGKA-UHFFFAOYSA-N 0 3 344.371 1.765 20 5 EDBDHN COc1cc([C@@H](C)N[C@@H](C)CN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903092528 592121878 /nfs/dbraw/zinc/12/18/78/592121878.db2.gz LCYQAKBUWSOQSV-UONOGXRCSA-N 0 3 336.436 1.890 20 5 EDBDHN CC[C@H](NC(=O)C1CN(C)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000906916212 592424673 /nfs/dbraw/zinc/42/46/73/592424673.db2.gz WZCCWSWEOHJOAG-INIZCTEOSA-N 0 3 334.420 1.656 20 5 EDBDHN CN1CCN(C)CC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000907062526 592500929 /nfs/dbraw/zinc/50/09/29/592500929.db2.gz SGRMXVMFOWXWQW-UHFFFAOYSA-N 0 3 346.431 1.579 20 5 EDBDHN CCN1CCC(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC000905380874 592513198 /nfs/dbraw/zinc/51/31/98/592513198.db2.gz MVLGAVMZRSFIQW-UHFFFAOYSA-N 0 3 349.387 1.970 20 5 EDBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCN(CC2CC2)C1 ZINC000731019905 592920288 /nfs/dbraw/zinc/92/02/88/592920288.db2.gz LWFQZKRNJPHWRP-CQSZACIVSA-N 0 3 343.387 1.545 20 5 EDBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC(N2CCCC2)C1 ZINC000912321413 593086662 /nfs/dbraw/zinc/08/66/62/593086662.db2.gz HLERABGVMKAYKJ-UHFFFAOYSA-N 0 3 341.371 1.905 20 5 EDBDHN CS[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000804579560 593425856 /nfs/dbraw/zinc/42/58/56/593425856.db2.gz XUOOTPKUKIGBTP-RYUDHWBXSA-N 0 3 326.378 1.985 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(c3nc[nH]n3)CC2)c1 ZINC000811466599 593471553 /nfs/dbraw/zinc/47/15/53/593471553.db2.gz UEJIBOWVISEKQV-UHFFFAOYSA-N 0 3 345.359 1.879 20 5 EDBDHN CC(COC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)[N+](=O)[O-] ZINC000813105300 593517795 /nfs/dbraw/zinc/51/77/95/593517795.db2.gz LNLUZBMBLHENPO-LBPRGKRZSA-N 0 3 333.344 1.612 20 5 EDBDHN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107851 593518056 /nfs/dbraw/zinc/51/80/56/593518056.db2.gz QZGPAYQOBYQQLB-NSHDSACASA-N 0 3 344.389 1.538 20 5 EDBDHN CC(COC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)[N+](=O)[O-] ZINC000813107224 593518313 /nfs/dbraw/zinc/51/83/13/593518313.db2.gz MXIHPJPFOACLIM-BXUZGUMPSA-N 0 3 326.324 1.407 20 5 EDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc2ncccc2c1 ZINC000813111167 593518403 /nfs/dbraw/zinc/51/84/03/593518403.db2.gz PNJJWPJZEJJBOL-JTQLQIEISA-N 0 3 341.327 1.946 20 5 EDBDHN CC(COC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813113655 593518740 /nfs/dbraw/zinc/51/87/40/593518740.db2.gz HJNSOIBXVNZNJS-VHODGJRUSA-N 0 3 328.346 1.280 20 5 EDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000820459447 593820028 /nfs/dbraw/zinc/82/00/28/593820028.db2.gz SACZXFXPOWSPES-HUUCEWRRSA-N 0 3 334.376 1.112 20 5 EDBDHN CN1CCN(c2ccncc2NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822721625 594091514 /nfs/dbraw/zinc/09/15/14/594091514.db2.gz WUPCEBRISBKRSR-UHFFFAOYSA-N 0 3 335.408 1.607 20 5 EDBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCCN1CC[C@H](O)C1 ZINC000827750083 594271535 /nfs/dbraw/zinc/27/15/35/594271535.db2.gz YZFPYBQRYOUIFM-NSHDSACASA-N 0 3 341.795 1.364 20 5 EDBDHN COc1cnccc1N1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000831024203 594540562 /nfs/dbraw/zinc/54/05/62/594540562.db2.gz KGAQVJZRPYVYAB-UHFFFAOYSA-N 0 3 336.392 1.574 20 5 EDBDHN CCO[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1OC)CN(C)C ZINC000831717516 594695640 /nfs/dbraw/zinc/69/56/40/594695640.db2.gz CRLOKKCZXRHMHF-LLVKDONJSA-N 0 3 325.365 1.300 20 5 EDBDHN CCO[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)CN(C)C ZINC000831718566 594695814 /nfs/dbraw/zinc/69/58/14/594695814.db2.gz NBKYXHXKGMNAJX-CQSZACIVSA-N 0 3 339.392 1.365 20 5 EDBDHN CCO[C@@H](CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)CN(C)C ZINC000831751699 594699553 /nfs/dbraw/zinc/69/95/53/594699553.db2.gz PSWBKAFFKBNJHR-ZDUSSCGKSA-N 0 3 339.392 1.229 20 5 EDBDHN CN(C)C1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000842224203 595044424 /nfs/dbraw/zinc/04/44/24/595044424.db2.gz DCDAODKZFAHDKM-UHFFFAOYSA-N 0 3 340.767 1.397 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[NH2+]C2)c1 ZINC000842481432 595117520 /nfs/dbraw/zinc/11/75/20/595117520.db2.gz IWQJIKODJNZFHU-SNVBAGLBSA-N 0 3 347.824 1.977 20 5 EDBDHN COC(=O)[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC000844478866 595348980 /nfs/dbraw/zinc/34/89/80/595348980.db2.gz TZWHOWTVSZDZFO-XHSDSOJGSA-N 0 3 334.372 1.759 20 5 EDBDHN CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(CC)C1 ZINC000855490600 595726943 /nfs/dbraw/zinc/72/69/43/595726943.db2.gz MKNLDWCLEYZURZ-HNNXBMFYSA-N 0 3 345.403 1.887 20 5 EDBDHN Cc1noc(CONC(=N)CN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000853719209 595862811 /nfs/dbraw/zinc/86/28/11/595862811.db2.gz JRVMRGZGAFPYGX-UHFFFAOYSA-N 0 3 343.340 1.757 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000859585803 596139422 /nfs/dbraw/zinc/13/94/22/596139422.db2.gz CTUKAYKTXFSCIR-SJORKVTESA-N 0 3 346.387 1.136 20 5 EDBDHN O=C1OC[C@@]2(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)COCCN12 ZINC000866522571 596240315 /nfs/dbraw/zinc/24/03/15/596240315.db2.gz WPJLPBMVBPULOT-NVXWUHKLSA-N 0 3 347.371 1.783 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCNCCC1(C)C ZINC000866803388 596355223 /nfs/dbraw/zinc/35/52/23/596355223.db2.gz FJFOIBAEGWKUED-UHFFFAOYSA-N 0 3 341.433 1.974 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@]12COC(=O)N1CCOC2 ZINC000872261694 596858994 /nfs/dbraw/zinc/85/89/94/596858994.db2.gz VIJDBSSGAKNIKM-MRXNPFEDSA-N 0 3 335.360 1.522 20 5 EDBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CCCC1 ZINC000878202617 597586657 /nfs/dbraw/zinc/58/66/57/597586657.db2.gz DNBGECCIPLJLKQ-GFCCVEGCSA-N 0 3 349.387 1.970 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCNCCC12CCC2 ZINC000883478537 597767556 /nfs/dbraw/zinc/76/75/56/597767556.db2.gz MWHWRQJAMBXERI-UHFFFAOYSA-N 0 3 339.417 1.810 20 5 EDBDHN CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180838381 529804393 /nfs/dbraw/zinc/80/43/93/529804393.db2.gz CNHNJVKHOJJJLG-SECBINFHSA-N 0 3 329.303 1.878 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(C)CC[NH2+]CC1 ZINC000181225424 234123715 /nfs/dbraw/zinc/12/37/15/234123715.db2.gz SIUXMSMEPVEWQK-UHFFFAOYSA-N 0 3 327.406 1.571 20 5 EDBDHN CCOc1cc(C(=O)N[C@H]2CCN(CC)C2)c([N+](=O)[O-])cc1OC ZINC000412853311 304042163 /nfs/dbraw/zinc/04/21/63/304042163.db2.gz SZUNLSVLMAALHC-NSHDSACASA-N 0 3 337.376 1.826 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046946169 138118512 /nfs/dbraw/zinc/11/85/12/138118512.db2.gz PQCZIQIKCVXBMO-CQSZACIVSA-N 0 3 334.420 1.280 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2ccccc2)cc1 ZINC000065977925 138175740 /nfs/dbraw/zinc/17/57/40/138175740.db2.gz CQSZOIZVXPMFPW-UHFFFAOYSA-N 0 3 335.385 1.663 20 5 EDBDHN Cc1c(CN2CCC(N3CCC[C@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000104070287 138299523 /nfs/dbraw/zinc/29/95/23/138299523.db2.gz KSNDFRAKFXYSLX-KRWDZBQOSA-N 0 3 346.431 1.817 20 5 EDBDHN Cc1nc(Sc2nnnn2C[C@@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000131979336 138369054 /nfs/dbraw/zinc/36/90/54/138369054.db2.gz PMFGVBFZNQSWCO-SNVBAGLBSA-N 0 3 335.393 1.388 20 5 EDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000246283197 139102294 /nfs/dbraw/zinc/10/22/94/139102294.db2.gz VSLCCXIRZASYBI-BXUZGUMPSA-N 0 3 327.406 1.556 20 5 EDBDHN COc1cccc([C@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000246735539 139119510 /nfs/dbraw/zinc/11/95/10/139119510.db2.gz NNJLGDKIPJMWAA-NVXWUHKLSA-N 0 3 346.387 1.998 20 5 EDBDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246744396 139119904 /nfs/dbraw/zinc/11/99/04/139119904.db2.gz PSRKGZIVTAJYTA-SWLSCSKDSA-N 0 3 341.433 1.697 20 5 EDBDHN CC(C)[C@H](N)C(=O)NCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000261964714 139240326 /nfs/dbraw/zinc/24/03/26/139240326.db2.gz AXGGEAWMHLYXJJ-AWEZNQCLSA-N 0 3 336.392 1.046 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]2)cc1C ZINC000262546745 139285684 /nfs/dbraw/zinc/28/56/84/139285684.db2.gz RVBVMXMVCRKCFX-GFCCVEGCSA-N 0 3 327.406 1.632 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000152895266 224028750 /nfs/dbraw/zinc/02/87/50/224028750.db2.gz FPFSMQYJAQILBI-INIZCTEOSA-N 0 3 338.408 1.216 20 5 EDBDHN CC(COC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496000518 255339309 /nfs/dbraw/zinc/33/93/09/255339309.db2.gz AVMJRYAGVYTSMO-MNOVXSKESA-N 0 3 348.421 1.937 20 5 EDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[N+](=O)[O-] ZINC000496332232 255382296 /nfs/dbraw/zinc/38/22/96/255382296.db2.gz SJQKBSOHQNRHBV-YUMQZZPRSA-N 0 3 328.243 1.358 20 5 EDBDHN CC(C)N1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117335093 221055129 /nfs/dbraw/zinc/05/51/29/221055129.db2.gz IJKXELVGZQRFGY-UHFFFAOYSA-N 0 3 348.403 1.919 20 5 EDBDHN Cc1nn(CCC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000119352802 221301171 /nfs/dbraw/zinc/30/11/71/221301171.db2.gz QADIDHVJGLTRMW-HUUCEWRRSA-N 0 3 349.435 1.741 20 5 EDBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC2(CC1)NC(=O)NC2=O ZINC000347378611 533406656 /nfs/dbraw/zinc/40/66/56/533406656.db2.gz POONFWBYEPBTJO-FMIVXFBMSA-N 0 3 344.371 1.672 20 5 EDBDHN Nc1c(C(=O)Nc2ccc(N3CCNCC3)cn2)cccc1[N+](=O)[O-] ZINC000269164294 139886518 /nfs/dbraw/zinc/88/65/18/139886518.db2.gz OUZVZLHWOHYQGL-UHFFFAOYSA-N 0 3 342.359 1.234 20 5 EDBDHN CN(C)CCOc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000270721672 140155604 /nfs/dbraw/zinc/15/56/04/140155604.db2.gz ACCAIOPRJYMLKA-UHFFFAOYSA-N 0 3 333.348 1.521 20 5 EDBDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271334111 140280215 /nfs/dbraw/zinc/28/02/15/140280215.db2.gz RWTUDTMRYGDSHI-ONGXEEELSA-N 0 3 347.400 1.908 20 5 EDBDHN COc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000331834117 141086569 /nfs/dbraw/zinc/08/65/69/141086569.db2.gz BPVWTQYAGIPWBU-FMKPAKJESA-N 0 3 336.388 1.965 20 5 EDBDHN CCN1C[C@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000332247452 141146677 /nfs/dbraw/zinc/14/66/77/141146677.db2.gz KWTYTWKUDZUZEZ-KBPBESRZSA-N 0 3 346.431 1.898 20 5 EDBDHN CCOc1cc(C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000346177672 143175559 /nfs/dbraw/zinc/17/55/59/143175559.db2.gz GJVRKHCEGVHLEB-SNVBAGLBSA-N 0 3 325.365 1.682 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N(C)CCO)[C@@H]1C ZINC000347169184 143290369 /nfs/dbraw/zinc/29/03/69/143290369.db2.gz NIEWBGUMDMZXJR-SMDDNHRTSA-N 0 3 337.376 1.131 20 5 EDBDHN CCN1C[C@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000347695844 143350789 /nfs/dbraw/zinc/35/07/89/143350789.db2.gz ALSHNXSPHWUGPT-SOUVJXGZSA-N 0 3 337.420 1.749 20 5 EDBDHN C[C@H]1CSC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000352802124 149173048 /nfs/dbraw/zinc/17/30/48/149173048.db2.gz LONMQNKSNJLNFX-WPRPVWTQSA-N 0 3 339.373 1.603 20 5 EDBDHN CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353323466 149365409 /nfs/dbraw/zinc/36/54/09/149365409.db2.gz YWGANIDRWCCARX-AWEZNQCLSA-N 0 3 334.376 1.524 20 5 EDBDHN Cc1n[n-]c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000355344493 150225567 /nfs/dbraw/zinc/22/55/67/150225567.db2.gz RKAOGSNZTWFYKR-ZDUSSCGKSA-N 0 3 345.359 1.445 20 5 EDBDHN Cc1n[n-]c(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000355344493 150225570 /nfs/dbraw/zinc/22/55/70/150225570.db2.gz RKAOGSNZTWFYKR-ZDUSSCGKSA-N 0 3 345.359 1.445 20 5 EDBDHN Cc1[nH]nc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000355344493 150225572 /nfs/dbraw/zinc/22/55/72/150225572.db2.gz RKAOGSNZTWFYKR-ZDUSSCGKSA-N 0 3 345.359 1.445 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)[C@H](O)C1 ZINC000357567710 151069673 /nfs/dbraw/zinc/06/96/73/151069673.db2.gz IVFSTEIVPGONKV-SMDDNHRTSA-N 0 3 337.376 1.635 20 5 EDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(O)CCN(C)CC1 ZINC000361209577 152335908 /nfs/dbraw/zinc/33/59/08/152335908.db2.gz GTBHHPLAUWMMSU-HNNXBMFYSA-N 0 3 349.431 1.736 20 5 EDBDHN CC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C[C@@H](C)O ZINC000361265923 152349336 /nfs/dbraw/zinc/34/93/36/152349336.db2.gz LOHGHZHZLPBNRC-OLZOCXBDSA-N 0 3 347.419 1.748 20 5 EDBDHN COc1cc(Cl)ccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574151150 306643517 /nfs/dbraw/zinc/64/35/17/306643517.db2.gz JESHEXPWSCPKQQ-ZDUSSCGKSA-N 0 3 340.767 1.604 20 5 EDBDHN CCCN1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000367899232 154317527 /nfs/dbraw/zinc/31/75/27/154317527.db2.gz CBGVJLWDMTZQKX-UHFFFAOYSA-N 0 3 335.360 1.881 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1c2ccccc2CC[C@@H]1CO ZINC000373810990 157014573 /nfs/dbraw/zinc/01/45/73/157014573.db2.gz CXSRMLDAMLLAFB-RDTXWAMCSA-N 0 3 343.383 1.642 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000378592375 158215691 /nfs/dbraw/zinc/21/56/91/158215691.db2.gz JSUYUVISQQHBII-ZBFHGGJFSA-N 0 3 338.408 1.291 20 5 EDBDHN CCCN1CCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000352534940 162237742 /nfs/dbraw/zinc/23/77/42/162237742.db2.gz ZJTQXURANCAFGV-HNNXBMFYSA-N 0 3 341.433 1.889 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCN(C)C2)c1C ZINC000120467420 287361465 /nfs/dbraw/zinc/36/14/65/287361465.db2.gz QMGFPCBNKNENHF-CYBMUJFWSA-N 0 3 341.433 1.832 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@](C)(C[NH3+])CC(C)C ZINC000160162512 225351694 /nfs/dbraw/zinc/35/16/94/225351694.db2.gz GJBFKXODVMCIOW-AWEZNQCLSA-N 0 3 329.422 1.945 20 5 EDBDHN CN1CCC(O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273482873 268049690 /nfs/dbraw/zinc/04/96/90/268049690.db2.gz QVEDLNFIWDTYRU-UHFFFAOYSA-N 0 3 326.328 1.312 20 5 EDBDHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCOC1 ZINC000274603764 268166486 /nfs/dbraw/zinc/16/64/86/268166486.db2.gz LUCAWMBHVCCXHQ-UWVGGRQHSA-N 0 3 337.332 1.277 20 5 EDBDHN COCCO[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275553553 268359754 /nfs/dbraw/zinc/35/97/54/268359754.db2.gz NBQPUSTUXITXGD-GOEBONIOSA-N 0 3 340.376 1.072 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000276215775 273153627 /nfs/dbraw/zinc/15/36/27/273153627.db2.gz WPLIDPFHJLCKTL-LBPRGKRZSA-N 0 3 346.387 1.608 20 5 EDBDHN CC(C)NS(=O)(=O)NCCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000276996408 273174998 /nfs/dbraw/zinc/17/49/98/273174998.db2.gz JCKHEAWJEQMRSG-FNORWQNLSA-N 0 3 342.421 1.030 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1N(C)C ZINC000282599445 273685671 /nfs/dbraw/zinc/68/56/71/273685671.db2.gz ABJCTJJCNMAHJE-CHWSQXEVSA-N 0 3 342.396 1.434 20 5 EDBDHN CN(CCN1CCCC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000103116916 273838123 /nfs/dbraw/zinc/83/81/23/273838123.db2.gz AXQRRFUBBGFJKP-UHFFFAOYSA-N 0 3 343.387 1.948 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCSC1 ZINC000284458626 274209217 /nfs/dbraw/zinc/20/92/17/274209217.db2.gz RSHVLSSJFKJMRC-CQSZACIVSA-N 0 3 342.396 1.483 20 5 EDBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284833996 274351115 /nfs/dbraw/zinc/35/11/15/274351115.db2.gz BJROFYKLJBBWRV-AWEZNQCLSA-N 0 3 329.360 1.885 20 5 EDBDHN Cc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000371348987 274709734 /nfs/dbraw/zinc/70/97/34/274709734.db2.gz DWKCJPBHRHKNDM-HUUCEWRRSA-N 0 3 333.436 1.760 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN(C[C@H]4CCOC4)CC3)c21 ZINC000347427827 275039695 /nfs/dbraw/zinc/03/96/95/275039695.db2.gz YBLRHPQMKQJXNI-CYBMUJFWSA-N 0 3 343.387 1.697 20 5 EDBDHN NC(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000253158887 287822779 /nfs/dbraw/zinc/82/27/79/287822779.db2.gz QVPDPVRZMHCDOC-ILXRZTDVSA-N 0 3 346.387 1.334 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000368590596 277143638 /nfs/dbraw/zinc/14/36/38/277143638.db2.gz KYQGJWRSRSUKKQ-RISCZKNCSA-N 0 3 347.371 1.532 20 5 EDBDHN COC(=O)c1cc(C)nc(N2C[C@@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-] ZINC000287169370 288171964 /nfs/dbraw/zinc/17/19/64/288171964.db2.gz GWRGXMBVTBQFKG-NEPJUHHUSA-N 0 3 334.376 1.758 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(CO)CCSCC1 ZINC000459710738 281018258 /nfs/dbraw/zinc/01/82/58/281018258.db2.gz LIOJELZIOBHIQY-UHFFFAOYSA-N 0 3 339.417 1.689 20 5 EDBDHN CN1CCC(CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000293043489 289506799 /nfs/dbraw/zinc/50/67/99/289506799.db2.gz WHROGWODDJKLEN-UHFFFAOYSA-N 0 3 331.376 1.819 20 5 EDBDHN C[C@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000193406967 300001452 /nfs/dbraw/zinc/00/14/52/300001452.db2.gz IWNYSWKYAIWACD-KWQFWETISA-N 0 3 333.797 1.525 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000293909139 303036938 /nfs/dbraw/zinc/03/69/38/303036938.db2.gz AFGNUZWXDXKSMR-UHFFFAOYSA-N 0 3 347.331 1.334 20 5 EDBDHN COc1cc(CNCCN2CCC(O)CC2)c([N+](=O)[O-])cc1OC ZINC000294835956 303149380 /nfs/dbraw/zinc/14/93/80/303149380.db2.gz LZUFTCYRXDDLKE-UHFFFAOYSA-N 0 3 339.392 1.158 20 5 EDBDHN CC(C)(CCC(=O)NCc1ccccc1CN1CC[C@H](O)C1)[N+](=O)[O-] ZINC000295678768 303251292 /nfs/dbraw/zinc/25/12/92/303251292.db2.gz LQFYNHKOIGTGGL-INIZCTEOSA-N 0 3 349.431 1.705 20 5 EDBDHN NC(=O)c1ccnc(N2CCC[C@@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000290908401 303349706 /nfs/dbraw/zinc/34/97/06/303349706.db2.gz GMAJHCXZFKXQSM-GFCCVEGCSA-N 0 3 333.392 1.543 20 5 EDBDHN CN(C)[C@@H]1CC[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301915733 303703360 /nfs/dbraw/zinc/70/33/60/303703360.db2.gz GPUDPEVHOCMQAY-WDEREUQCSA-N 0 3 327.406 1.893 20 5 EDBDHN CCCN(CCN1CCN(CC)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000426150349 304979514 /nfs/dbraw/zinc/97/95/14/304979514.db2.gz RBYKPTSBSMKVCW-UHFFFAOYSA-N 0 3 337.424 1.413 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CC(N)=O)C1CCOCC1 ZINC000430216807 305047755 /nfs/dbraw/zinc/04/77/55/305047755.db2.gz IBZHMDNYLVWQMC-CQSZACIVSA-N 0 3 337.376 1.364 20 5 EDBDHN O=[N+]([O-])c1c(NC[C@H]2CCCN2CCCO)nc2sccn21 ZINC000450595655 305330365 /nfs/dbraw/zinc/33/03/65/305330365.db2.gz MGVNRWLADPUOHO-SNVBAGLBSA-N 0 3 325.394 1.563 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCCCN1CCO ZINC000452396161 305397736 /nfs/dbraw/zinc/39/77/36/305397736.db2.gz XVWHTDMDYDSTCT-AWEZNQCLSA-N 0 3 339.367 1.239 20 5 EDBDHN CS(=O)(=O)N1CC[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000519551689 305770283 /nfs/dbraw/zinc/77/02/83/305770283.db2.gz VFLMMFSAAQINIK-BPJJOFIESA-N 0 3 325.390 1.232 20 5 EDBDHN CN(C)CCOCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000539747140 306036124 /nfs/dbraw/zinc/03/61/24/306036124.db2.gz RWVVWTWGCFWSEU-UHFFFAOYSA-N 0 3 348.359 1.157 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000542778271 306057876 /nfs/dbraw/zinc/05/78/76/306057876.db2.gz YPSSQJUBIDGCFO-CZUORRHYSA-N 0 3 348.403 1.709 20 5 EDBDHN Cn1cc(C(C)(C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000547413039 306100075 /nfs/dbraw/zinc/10/00/75/306100075.db2.gz IBISGBHMCXCDGU-CQSZACIVSA-N 0 3 334.376 1.593 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)cc1[N+](=O)[O-] ZINC000415423099 447421871 /nfs/dbraw/zinc/42/18/71/447421871.db2.gz FYPYUYWSUBBYGH-AWEZNQCLSA-N 0 3 348.403 1.866 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000044492581 440849413 /nfs/dbraw/zinc/84/94/13/440849413.db2.gz QLRHCGSOFFDJFR-SECBINFHSA-N 0 3 333.797 1.669 20 5 EDBDHN COCc1cc([N+](=O)[O-])ccc1N1CCCN(CCN(C)C)CC1 ZINC000080611821 441183433 /nfs/dbraw/zinc/18/34/33/441183433.db2.gz VAPHXRRMVVNUAW-UHFFFAOYSA-N 0 3 336.436 1.815 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000072500953 441233111 /nfs/dbraw/zinc/23/31/11/441233111.db2.gz UQFAZRGRUZYEOK-LLVKDONJSA-N 0 3 337.376 1.826 20 5 EDBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCCCCC1 ZINC000059403110 441228601 /nfs/dbraw/zinc/22/86/01/441228601.db2.gz PQPDKKDFQTUEHA-UHFFFAOYSA-N 0 3 348.403 1.317 20 5 EDBDHN O=C1CCCN1CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665049 441248124 /nfs/dbraw/zinc/24/81/24/441248124.db2.gz ANBQVJYPDXDXKT-ZDUSSCGKSA-N 0 3 333.392 1.489 20 5 EDBDHN C[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000074137673 441398479 /nfs/dbraw/zinc/39/84/79/441398479.db2.gz NXNUJJUBUIFMRM-KIUWMYQTSA-N 0 3 346.431 1.608 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000074165639 441402039 /nfs/dbraw/zinc/40/20/39/441402039.db2.gz RBOUJRBLXNIGNK-CQSZACIVSA-N 0 3 336.392 1.757 20 5 EDBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1 ZINC000067159274 441612709 /nfs/dbraw/zinc/61/27/09/441612709.db2.gz UNSQGTRBILNTOF-UHFFFAOYSA-N 0 3 335.360 1.580 20 5 EDBDHN CCOC(=O)CC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090516963 441631983 /nfs/dbraw/zinc/63/19/83/441631983.db2.gz WQBQBPAONVEQNR-UHFFFAOYSA-N 0 3 337.376 1.422 20 5 EDBDHN C[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000114379239 441651291 /nfs/dbraw/zinc/65/12/91/441651291.db2.gz SLXVNXVNVRVLAW-SBJJXXPASA-N 0 3 346.431 1.608 20 5 EDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000067864852 441690491 /nfs/dbraw/zinc/69/04/91/441690491.db2.gz DPGKOOVHCBDLID-YPMHNXCESA-N 0 3 346.387 1.066 20 5 EDBDHN COc1cccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N(C)C)c1 ZINC000158954956 441775157 /nfs/dbraw/zinc/77/51/57/441775157.db2.gz BCWYNPQXJWDWMR-GFCCVEGCSA-N 0 3 333.348 1.359 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[NH2+]C(C)C)c1C ZINC000123716717 441897818 /nfs/dbraw/zinc/89/78/18/441897818.db2.gz IMYFUNUJBVWPRY-UHFFFAOYSA-N 0 3 329.422 1.878 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000120566220 442096177 /nfs/dbraw/zinc/09/61/77/442096177.db2.gz IPSALKUPOFBJKW-RISCZKNCSA-N 0 3 339.367 1.911 20 5 EDBDHN O=C(CCN1CCCC[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000128279100 442257628 /nfs/dbraw/zinc/25/76/28/442257628.db2.gz RVOAVTRZLUWSDN-LBPRGKRZSA-N 0 3 325.340 1.909 20 5 EDBDHN CCN1CCN(CCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000171261815 442335297 /nfs/dbraw/zinc/33/52/97/442335297.db2.gz RYSQNDOLIGPDAU-CQSZACIVSA-N 0 3 334.420 1.800 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCC(Cn3ccnn3)CC2)cc1 ZINC000155608015 442412270 /nfs/dbraw/zinc/41/22/70/442412270.db2.gz IPJPCTXEOAZYJY-UHFFFAOYSA-N 0 3 331.376 1.977 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCN(C)C(C)C)c1C ZINC000155623844 442413987 /nfs/dbraw/zinc/41/39/87/442413987.db2.gz AETNRLAWIMDURP-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN CCN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1COc2ccccc2O1 ZINC000172719136 442526170 /nfs/dbraw/zinc/52/61/70/442526170.db2.gz ODHAXANYJQHGFW-AWEZNQCLSA-N 0 3 332.360 1.953 20 5 EDBDHN CCN1CCCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135542174 442609304 /nfs/dbraw/zinc/60/93/04/442609304.db2.gz JQGMJJHGTDMHIU-ZFWWWQNUSA-N 0 3 347.419 1.877 20 5 EDBDHN C[C@H]1CCCCN1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180476257 442607926 /nfs/dbraw/zinc/60/79/26/442607926.db2.gz ASQANUIGCCBMEA-NSHDSACASA-N 0 3 335.360 1.928 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000173272530 442638392 /nfs/dbraw/zinc/63/83/92/442638392.db2.gz KLBYEHJKEMFTNV-DOMZBBRYSA-N 0 3 341.433 1.839 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000192365479 442641097 /nfs/dbraw/zinc/64/10/97/442641097.db2.gz IEBLNVFWMJWPDY-IUODEOHRSA-N 0 3 332.360 1.525 20 5 EDBDHN CCN(CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC000181027481 442675531 /nfs/dbraw/zinc/67/55/31/442675531.db2.gz RAWFPZOGTQEABN-UHFFFAOYSA-N 0 3 348.403 1.751 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000193272394 442728287 /nfs/dbraw/zinc/72/82/87/442728287.db2.gz CZFLZFDBGCFCSY-CYBMUJFWSA-N 0 3 341.433 1.880 20 5 EDBDHN COCCN1CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265496182 442795976 /nfs/dbraw/zinc/79/59/76/442795976.db2.gz CCNSXMFADGHAMV-AWEZNQCLSA-N 0 3 336.392 1.157 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CN1C1CC1 ZINC000182350362 442759274 /nfs/dbraw/zinc/75/92/74/442759274.db2.gz TUPMCOGPHBCBIM-MWLCHTKSSA-N 0 3 333.344 1.679 20 5 EDBDHN CN(C)C[C@H]1CCCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000268155219 442874229 /nfs/dbraw/zinc/87/42/29/442874229.db2.gz PKWJHQULTVFQIF-CYBMUJFWSA-N 0 3 335.360 1.339 20 5 EDBDHN CC(C)[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000180073876 318465119 /nfs/dbraw/zinc/46/51/19/318465119.db2.gz GVKLYIOKMNDWIQ-INIZCTEOSA-N 0 3 335.404 1.610 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000268186563 442890085 /nfs/dbraw/zinc/89/00/85/442890085.db2.gz MFPVNLHOHRJTOF-XPTSAGLGSA-N 0 3 329.360 1.684 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000268371914 442965987 /nfs/dbraw/zinc/96/59/87/442965987.db2.gz YXBMCYUYUQRNSA-SMDDNHRTSA-N 0 3 334.376 1.250 20 5 EDBDHN CCN(CCO)CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183940131 442976621 /nfs/dbraw/zinc/97/66/21/442976621.db2.gz WZVOGJOKXFASHI-NSHDSACASA-N 0 3 327.356 1.268 20 5 EDBDHN COc1cc(C(=O)NC2CCN(C3CC3)CC2)cc([N+](=O)[O-])c1OC ZINC000266111823 443021049 /nfs/dbraw/zinc/02/10/49/443021049.db2.gz WCRRQTPOQLZJDT-UHFFFAOYSA-N 0 3 349.387 1.969 20 5 EDBDHN COc1ccc([C@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000266555248 443167191 /nfs/dbraw/zinc/16/71/91/443167191.db2.gz VLZWRFOTLJVDDE-GOEBONIOSA-N 0 3 346.387 1.650 20 5 EDBDHN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000272488607 443336016 /nfs/dbraw/zinc/33/60/16/443336016.db2.gz HLVHGMXXWPWTGV-JTQLQIEISA-N 0 3 333.373 1.520 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c(C)c1[N+](=O)[O-] ZINC000272493319 443338220 /nfs/dbraw/zinc/33/82/20/443338220.db2.gz NEASOYZIEYZUHJ-ZIAGYGMSSA-N 0 3 335.408 1.351 20 5 EDBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264611966 443346816 /nfs/dbraw/zinc/34/68/16/443346816.db2.gz NYEDHKSJYRRTMM-GFCCVEGCSA-N 0 3 335.408 1.971 20 5 EDBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264611966 443346818 /nfs/dbraw/zinc/34/68/18/443346818.db2.gz NYEDHKSJYRRTMM-GFCCVEGCSA-N 0 3 335.408 1.971 20 5 EDBDHN C[C@@H]1OCC[C@@]1(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000278699997 443405607 /nfs/dbraw/zinc/40/56/07/443405607.db2.gz QUDDJNYUIGLCDZ-LKFCYVNXSA-N 0 3 332.303 1.826 20 5 EDBDHN CC(C)N1C[C@@H](C)[C@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000272906202 443485461 /nfs/dbraw/zinc/48/54/61/443485461.db2.gz NAXPPFIMZOIZRH-ZWNOBZJWSA-N 0 3 342.421 1.383 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000279382964 443571709 /nfs/dbraw/zinc/57/17/09/443571709.db2.gz SXWGWRXBPQSHLB-STQMWFEESA-N 0 3 349.370 1.130 20 5 EDBDHN C[C@@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000273144414 443550341 /nfs/dbraw/zinc/55/03/41/443550341.db2.gz FWVIQRIXPZZVNA-BETUJISGSA-N 0 3 335.408 1.710 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[C@@H]1N(C)C ZINC000429337400 319926043 /nfs/dbraw/zinc/92/60/43/319926043.db2.gz UFBSFNCQGQHFNX-AAEUAGOBSA-N 0 3 327.406 1.664 20 5 EDBDHN COc1ccc(OCCN2CCCC[C@H]2CC(N)=O)c([N+](=O)[O-])c1 ZINC000441505182 320097078 /nfs/dbraw/zinc/09/70/78/320097078.db2.gz GSXSINUSUPSXNG-LBPRGKRZSA-N 0 3 337.376 1.712 20 5 EDBDHN C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1CC(C)(C)O ZINC000443983131 320118018 /nfs/dbraw/zinc/11/80/18/320118018.db2.gz QWHSRHYMCGZYCH-LBPRGKRZSA-N 0 3 345.403 1.819 20 5 EDBDHN COC(=O)c1cnc(NC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000276527872 443735340 /nfs/dbraw/zinc/73/53/40/443735340.db2.gz HCDKTYMVXRUXNG-GFCCVEGCSA-N 0 3 338.364 1.035 20 5 EDBDHN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)N(C)C)c1 ZINC000298693704 443840950 /nfs/dbraw/zinc/84/09/50/443840950.db2.gz BYITUJOROSFQCU-GFCCVEGCSA-N 0 3 332.364 1.690 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)N(C)C1 ZINC000285301612 443933575 /nfs/dbraw/zinc/93/35/75/443933575.db2.gz SCINGKCUIHQIMI-STQMWFEESA-N 0 3 346.387 1.867 20 5 EDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(CC2CCCCC2)CC1 ZINC000299305720 444012044 /nfs/dbraw/zinc/01/20/44/444012044.db2.gz DJTIXJBHXVLNHC-UHFFFAOYSA-N 0 3 347.419 1.791 20 5 EDBDHN CN1CC[C@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285707471 444079662 /nfs/dbraw/zinc/07/96/62/444079662.db2.gz JDHVQYGPIDIRMZ-JKSUJKDBSA-N 0 3 333.388 1.459 20 5 EDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCN1CCCO ZINC000562660926 321066768 /nfs/dbraw/zinc/06/67/68/321066768.db2.gz FYXYDOYHIRRLMG-OAHLLOKOSA-N 0 3 336.392 1.241 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000567900773 321267608 /nfs/dbraw/zinc/26/76/08/321267608.db2.gz OFQZCUZOZMHAKX-UHFFFAOYSA-N 0 3 325.365 1.254 20 5 EDBDHN Nc1c([N+](=O)[O-])cnn1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000289302771 444101557 /nfs/dbraw/zinc/10/15/57/444101557.db2.gz AENYMYKHHSEAIK-CQSZACIVSA-N 0 3 331.376 1.665 20 5 EDBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)N1CCN(C)CC1 ZINC000301343088 444165342 /nfs/dbraw/zinc/16/53/42/444165342.db2.gz GEKAXCKYZGZVDU-INIZCTEOSA-N 0 3 349.435 1.378 20 5 EDBDHN Cc1c(CC(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000285989922 444169996 /nfs/dbraw/zinc/16/99/96/444169996.db2.gz YIFIHLKXJBZYAB-HZPDHXFCSA-N 0 3 333.388 1.377 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000574517905 321487730 /nfs/dbraw/zinc/48/77/30/321487730.db2.gz OKFANJKWRHYOSM-AWEZNQCLSA-N 0 3 344.375 1.431 20 5 EDBDHN C[C@@H]1CN(C2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000305161404 444261713 /nfs/dbraw/zinc/26/17/13/444261713.db2.gz FOWYOENXELMLLX-RDTXWAMCSA-N 0 3 349.431 1.813 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[NH2+]CC1 ZINC000318930888 444321802 /nfs/dbraw/zinc/32/18/02/444321802.db2.gz PRHZXSAFUJJGQB-SNVBAGLBSA-N 0 3 329.378 1.024 20 5 EDBDHN C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)N(C)C ZINC000297832994 444339696 /nfs/dbraw/zinc/33/96/96/444339696.db2.gz JZFQYPFTJXCWHB-QMMMGPOBSA-N 0 3 328.756 1.253 20 5 EDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCCC1 ZINC000581052128 322128482 /nfs/dbraw/zinc/12/84/82/322128482.db2.gz NHTBQPPQMXLAHI-CYBMUJFWSA-N 0 3 343.387 1.995 20 5 EDBDHN CCN1CCC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000342244751 444585380 /nfs/dbraw/zinc/58/53/80/444585380.db2.gz GMSZIYAKAOHJDG-AWEZNQCLSA-N 0 3 348.403 1.315 20 5 EDBDHN C[C@@H](N[C@@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338589685 444760607 /nfs/dbraw/zinc/76/06/07/444760607.db2.gz BECFGHRQXSLCKB-ZWNOBZJWSA-N 0 3 334.376 1.569 20 5 EDBDHN NC(=O)[C@@H](Cc1ccc(F)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000342704436 444824008 /nfs/dbraw/zinc/82/40/08/444824008.db2.gz FBABKBWGCCQIMH-MRXNPFEDSA-N 0 3 331.347 1.963 20 5 EDBDHN CCN1CC[C@@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000338735476 444828785 /nfs/dbraw/zinc/82/87/85/444828785.db2.gz YOWJJMXCTNGQNO-NEPJUHHUSA-N 0 3 349.416 1.899 20 5 EDBDHN CS(=O)(=O)NC[C@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000337274332 445011767 /nfs/dbraw/zinc/01/17/67/445011767.db2.gz FJTIONLVCKEDDO-YPMHNXCESA-N 0 3 327.406 1.402 20 5 EDBDHN Cc1cnc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000343421765 445219671 /nfs/dbraw/zinc/21/96/71/445219671.db2.gz DMVWOXFUVCLSHA-LSDHHAIUSA-N 0 3 333.436 1.760 20 5 EDBDHN Cc1nc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000348362422 445267541 /nfs/dbraw/zinc/26/75/41/445267541.db2.gz IHWSONAYJRDWJU-SFHVURJKSA-N 0 3 342.399 2.347 20 5 EDBDHN C[C@@H]1[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCCN1C ZINC000343597229 445256989 /nfs/dbraw/zinc/25/69/89/445256989.db2.gz MSIMROXWKUUKPT-NOZJJQNGSA-N 0 3 328.394 1.137 20 5 EDBDHN CC(C)[C@@H]1CN(C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348545622 445321985 /nfs/dbraw/zinc/32/19/85/445321985.db2.gz VYVCEADRWPNQOB-WBVHZDCISA-N 0 3 337.420 1.607 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)C1CCCC1 ZINC000348119662 445278915 /nfs/dbraw/zinc/27/89/15/445278915.db2.gz PYBZEDKJGZECMO-UHFFFAOYSA-N 0 3 337.424 1.823 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000348149952 445289271 /nfs/dbraw/zinc/28/92/71/445289271.db2.gz XGCGHNMRDSRESC-RYUDHWBXSA-N 0 3 337.376 1.947 20 5 EDBDHN COC(=O)COc1ccc(CN(C)[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348548848 445323322 /nfs/dbraw/zinc/32/33/22/445323322.db2.gz HBIOKXNBBONQEL-JSGCOSHPSA-N 0 3 338.360 1.492 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)CN2CCCCC2)c1 ZINC000360145782 445593890 /nfs/dbraw/zinc/59/38/90/445593890.db2.gz ZUNIDVAMXQPRQA-ZDUSSCGKSA-N 0 3 337.376 1.640 20 5 EDBDHN CN(C)CCOc1cnccc1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000356479720 445813197 /nfs/dbraw/zinc/81/31/97/445813197.db2.gz QCQZBLUZYFFOPN-UHFFFAOYSA-N 0 3 344.371 1.860 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000361884242 446038610 /nfs/dbraw/zinc/03/86/10/446038610.db2.gz IFHBRHFVOZXKLX-WCQYABFASA-N 0 3 348.403 1.749 20 5 EDBDHN CCCCOC[C@@H](O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365306903 446137513 /nfs/dbraw/zinc/13/75/13/446137513.db2.gz MZCXFIQAVYAQHI-ZFWWWQNUSA-N 0 3 326.397 1.606 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000370412086 446266825 /nfs/dbraw/zinc/26/68/25/446266825.db2.gz GSJPHZCMBPDRTB-UHFFFAOYSA-N 0 3 335.404 1.822 20 5 EDBDHN CN1CC[C@@]2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000366595447 446274273 /nfs/dbraw/zinc/27/42/73/446274273.db2.gz KQOGOJZZXMJYFR-QGZVFWFLSA-N 0 3 333.388 1.918 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000370453078 446284988 /nfs/dbraw/zinc/28/49/88/446284988.db2.gz PTUAFYNNVHQLTF-OLZOCXBDSA-N 0 3 335.360 1.196 20 5 EDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000365826362 446359425 /nfs/dbraw/zinc/35/94/25/446359425.db2.gz PYGXFMQSSQIMRW-SWLSCSKDSA-N 0 3 337.332 1.931 20 5 EDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418084119 446435956 /nfs/dbraw/zinc/43/59/56/446435956.db2.gz OMEJQZQZZSCGRV-VHSXEESVSA-N 0 3 332.364 1.363 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000420346915 446522119 /nfs/dbraw/zinc/52/21/19/446522119.db2.gz DZDGXGKZLQXFOO-RWMBFGLXSA-N 0 3 348.403 1.757 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CNCCC1(F)F ZINC000420442857 446618959 /nfs/dbraw/zinc/61/89/59/446618959.db2.gz KUBZLKTZAHKHAV-LBPRGKRZSA-N 0 3 349.359 1.433 20 5 EDBDHN N[C@@H]1Cc2ccccc2N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000420478711 446650966 /nfs/dbraw/zinc/65/09/66/446650966.db2.gz XZCJFTIRCMNASB-CQSZACIVSA-N 0 3 347.396 1.815 20 5 EDBDHN CN(C(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000375279009 446690270 /nfs/dbraw/zinc/69/02/70/446690270.db2.gz DPNMXMFUPBZXPE-YOEHRIQHSA-N 0 3 346.387 1.204 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN1C1CCN(C)CC1 ZINC000371466147 446873933 /nfs/dbraw/zinc/87/39/33/446873933.db2.gz LRPLVPFXTBPFDA-LBPRGKRZSA-N 0 3 336.392 1.428 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@@H]2C1 ZINC000425063120 447010374 /nfs/dbraw/zinc/01/03/74/447010374.db2.gz FEYSLARSJRAKIU-GXFFZTMASA-N 0 3 333.344 1.490 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)CC[C@H]1C ZINC000421007440 446981962 /nfs/dbraw/zinc/98/19/62/446981962.db2.gz HLPOESVCTTUYAN-YPMHNXCESA-N 0 3 337.376 1.777 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000455151715 447065130 /nfs/dbraw/zinc/06/51/30/447065130.db2.gz AANYOOJSIPWLAO-AWEZNQCLSA-N 0 3 336.392 1.872 20 5 EDBDHN NC(=O)CC1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000421351057 447139133 /nfs/dbraw/zinc/13/91/33/447139133.db2.gz NMBHJPJYTJACAX-UHFFFAOYSA-N 0 3 329.303 1.941 20 5 EDBDHN COc1cc(CNC2CCN(OC)CC2)c([N+](=O)[O-])cc1OC ZINC000421395379 447149337 /nfs/dbraw/zinc/14/93/37/447149337.db2.gz ICIYXYZSNXNUEQ-UHFFFAOYSA-N 0 3 325.365 1.727 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C[C@H]2CCCN2C)c1F ZINC000421715533 447229453 /nfs/dbraw/zinc/22/94/53/447229453.db2.gz YAUJEFIGNWPJCH-LLVKDONJSA-N 0 3 339.367 1.838 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCN1CCN(C)CC1 ZINC000421741344 447237426 /nfs/dbraw/zinc/23/74/26/447237426.db2.gz OFIXIUVUAIGYFE-UHFFFAOYSA-N 0 3 334.420 1.579 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CO)[C@@H]1CCCO1 ZINC000447915551 447296626 /nfs/dbraw/zinc/29/66/26/447296626.db2.gz NBCQDAHXDHCKOU-GJZGRUSLSA-N 0 3 337.376 1.361 20 5 EDBDHN CCOCCOC[C@H](O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447598114 447280444 /nfs/dbraw/zinc/28/04/44/447280444.db2.gz GPGDMZYZXYZAQV-WBVHZDCISA-N 0 3 338.404 1.976 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000420036624 447560681 /nfs/dbraw/zinc/56/06/81/447560681.db2.gz JCZNEDFIALZTPX-MRXNPFEDSA-N 0 3 335.360 1.774 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H]1CCCN(C)C1 ZINC000416568414 447651140 /nfs/dbraw/zinc/65/11/40/447651140.db2.gz XCBZDBKZEGPFAK-ZDUSSCGKSA-N 0 3 341.433 1.913 20 5 EDBDHN COC(=O)COc1ccc(CNCCc2cn(C)cn2)cc1[N+](=O)[O-] ZINC000459652009 447733333 /nfs/dbraw/zinc/73/33/33/447733333.db2.gz BOLGWSVWXWIVKD-UHFFFAOYSA-N 0 3 348.359 1.212 20 5 EDBDHN CC(C)(CN1CCCC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000452085941 447813889 /nfs/dbraw/zinc/81/38/89/447813889.db2.gz OOIGZPUIDBYVNF-UHFFFAOYSA-N 0 3 341.433 1.889 20 5 EDBDHN C[C@H]1C[C@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCN1C ZINC000524688767 447940530 /nfs/dbraw/zinc/94/05/30/447940530.db2.gz HTLPALCSSPNRLC-VHSXEESVSA-N 0 3 328.394 1.137 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000524720818 447942853 /nfs/dbraw/zinc/94/28/53/447942853.db2.gz AVSXNEAAHBSBPR-ZDUSSCGKSA-N 0 3 343.387 1.852 20 5 EDBDHN COc1ccc(CC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000525540229 448003743 /nfs/dbraw/zinc/00/37/43/448003743.db2.gz NCJWOUWIXGMGCI-JSGCOSHPSA-N 0 3 335.404 1.945 20 5 EDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000525536234 448003894 /nfs/dbraw/zinc/00/38/94/448003894.db2.gz MYKYSUHVJCCVNX-JQWIXIFHSA-N 0 3 335.360 1.736 20 5 EDBDHN CC[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570786970 448064416 /nfs/dbraw/zinc/06/44/16/448064416.db2.gz JFRRLHFXPJIWJV-OCCSQVGLSA-N 0 3 342.417 1.916 20 5 EDBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC1CCN([C@H]2CCOC2)CC1 ZINC000591460933 448371284 /nfs/dbraw/zinc/37/12/84/448371284.db2.gz ZYNLFRBOSVUFEX-LBPRGKRZSA-N 0 3 334.376 1.359 20 5 EDBDHN COC(=O)c1cc(NC(=O)[C@@H]2CNCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000591672640 448441966 /nfs/dbraw/zinc/44/19/66/448441966.db2.gz RBYWKXSOPYBKLX-NSHDSACASA-N 0 3 343.286 1.565 20 5 EDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000591686175 448450551 /nfs/dbraw/zinc/45/05/51/448450551.db2.gz OCWFLYOVCQZPHV-UWVGGRQHSA-N 0 3 346.156 1.787 20 5 EDBDHN COc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000584585779 448578963 /nfs/dbraw/zinc/57/89/63/448578963.db2.gz WMQXZGALLQQBMN-CYBMUJFWSA-N 0 3 333.344 1.528 20 5 EDBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000573137997 448553263 /nfs/dbraw/zinc/55/32/63/448553263.db2.gz CFXGBFWXHZWMHT-OCCSQVGLSA-N 0 3 341.371 1.200 20 5 EDBDHN CNC(=O)CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130337 448700865 /nfs/dbraw/zinc/70/08/65/448700865.db2.gz CPWLQICANCKLRV-SHTZXODSSA-N 0 3 335.404 1.836 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN1 ZINC000592246988 448761939 /nfs/dbraw/zinc/76/19/39/448761939.db2.gz QIQLJVQBRBKIIP-MRXNPFEDSA-N 0 3 343.387 1.851 20 5 EDBDHN COCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000579494614 448810107 /nfs/dbraw/zinc/81/01/07/448810107.db2.gz UHMLCLFBKNTRBZ-CYBMUJFWSA-N 0 3 338.408 2.300 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)c2ccccc2O1 ZINC000586797820 448813374 /nfs/dbraw/zinc/81/33/74/448813374.db2.gz OZKGGTJFDHQMCT-SNVBAGLBSA-N 0 3 331.332 1.287 20 5 EDBDHN C[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCN1C ZINC000587985128 448850329 /nfs/dbraw/zinc/85/03/29/448850329.db2.gz WNLCQOIVXWROEG-QWRGUYRKSA-N 0 3 333.392 1.680 20 5 EDBDHN CC(C)Oc1nc(N[C@@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000568782544 448919473 /nfs/dbraw/zinc/91/94/73/448919473.db2.gz TWWDFSNRNGFZIR-CYBMUJFWSA-N 0 3 338.408 2.036 20 5 EDBDHN NC(=O)C[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000588977225 448957347 /nfs/dbraw/zinc/95/73/47/448957347.db2.gz KAHXJOVXWPOOBI-LLVKDONJSA-N 0 3 348.359 1.090 20 5 EDBDHN Cc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000592880161 449034600 /nfs/dbraw/zinc/03/46/00/449034600.db2.gz ONVIRFFWWKAYDA-GFCCVEGCSA-N 0 3 334.376 1.095 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592870401 449028241 /nfs/dbraw/zinc/02/82/41/449028241.db2.gz CPTVSYAPEMMYRI-CYBMUJFWSA-N 0 3 348.403 1.404 20 5 EDBDHN Cc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592880125 449034082 /nfs/dbraw/zinc/03/40/82/449034082.db2.gz NJQUXTZOILXRMI-GFCCVEGCSA-N 0 3 334.376 1.095 20 5 EDBDHN O=C(CN[C@H](CO)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595616951 449082218 /nfs/dbraw/zinc/08/22/18/449082218.db2.gz PTDIQVHFPHDIHZ-LLVKDONJSA-N 0 3 337.332 1.013 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000593024989 449105697 /nfs/dbraw/zinc/10/56/97/449105697.db2.gz QJGYJCROUZGUMW-QWHCGFSZSA-N 0 3 335.360 1.515 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000593034104 449109433 /nfs/dbraw/zinc/10/94/33/449109433.db2.gz HUUTTZHZOYMTFF-OCCSQVGLSA-N 0 3 338.360 1.259 20 5 EDBDHN C[C@@]1(c2cccc(F)c2)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593046602 449112708 /nfs/dbraw/zinc/11/27/08/449112708.db2.gz PPFZWJDYTLSWBU-IAGOWNOFSA-N 0 3 348.378 1.955 20 5 EDBDHN CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCN(C)C1 ZINC000597945011 449154406 /nfs/dbraw/zinc/15/44/06/449154406.db2.gz GKBDSDKARMXSBI-INIZCTEOSA-N 0 3 343.387 1.947 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000590443326 449164718 /nfs/dbraw/zinc/16/47/18/449164718.db2.gz IFLQTXDFEMDOIC-HIFRSBDPSA-N 0 3 333.388 1.835 20 5 EDBDHN C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)N(C)C ZINC000597992399 449177174 /nfs/dbraw/zinc/17/71/74/449177174.db2.gz JVRMTCQJBYHEAU-JTQLQIEISA-N 0 3 343.405 1.068 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590590189 449205655 /nfs/dbraw/zinc/20/56/55/449205655.db2.gz VKGVXLSMMGBDEG-AAEUAGOBSA-N 0 3 327.406 1.616 20 5 EDBDHN CN(c1ccccc1)[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595829139 449192472 /nfs/dbraw/zinc/19/24/72/449192472.db2.gz WWANDUPMLVFZCQ-DOTOQJQBSA-N 0 3 345.403 1.363 20 5 EDBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000593883542 449261495 /nfs/dbraw/zinc/26/14/95/449261495.db2.gz OKAPOGWBPFMNND-UHFFFAOYSA-N 0 3 349.387 1.924 20 5 EDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611223179 449224679 /nfs/dbraw/zinc/22/46/79/449224679.db2.gz BNRDKPSSGWRTFH-RYUDHWBXSA-N 0 3 335.360 1.370 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)nc1 ZINC000593537115 449332134 /nfs/dbraw/zinc/33/21/34/449332134.db2.gz FRFYAADWPAQXMO-CYBMUJFWSA-N 0 3 340.405 1.239 20 5 EDBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN([C@H]4CCC[C@H]4O)CC3)c2c1 ZINC000611711122 449390576 /nfs/dbraw/zinc/39/05/76/449390576.db2.gz RTXKFPCDKVXKDO-JKSUJKDBSA-N 0 3 343.387 1.573 20 5 EDBDHN CC[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 ZINC000598536808 449452956 /nfs/dbraw/zinc/45/29/56/449452956.db2.gz XVVCYZGCJWCRRI-GXTWGEPZSA-N 0 3 348.403 1.314 20 5 EDBDHN COc1cc(C(=O)N2CCN[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000598572092 449470645 /nfs/dbraw/zinc/47/06/45/449470645.db2.gz KYRUDXLPLKTPTR-GFCCVEGCSA-N 0 3 325.340 1.813 20 5 EDBDHN CN(C)CC1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000596247457 449437514 /nfs/dbraw/zinc/43/75/14/449437514.db2.gz OVVWMFUWOJFLQZ-UHFFFAOYSA-N 0 3 343.387 1.557 20 5 EDBDHN CCCN1CCC(N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594750708 449666819 /nfs/dbraw/zinc/66/68/19/449666819.db2.gz NKEJXCCRDQIJHU-UHFFFAOYSA-N 0 3 342.421 1.485 20 5 EDBDHN C[C@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000598895905 449634048 /nfs/dbraw/zinc/63/40/48/449634048.db2.gz ARVXHMWWEBFVGD-LLVKDONJSA-N 0 3 349.391 1.315 20 5 EDBDHN COCCCN(C)CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601119800 449701403 /nfs/dbraw/zinc/70/14/03/449701403.db2.gz WFVXPXUWQGUAJE-UHFFFAOYSA-N 0 3 339.318 1.727 20 5 EDBDHN CN1CCOC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599004653 449692244 /nfs/dbraw/zinc/69/22/44/449692244.db2.gz WBKOOWBSYNGZJP-GFCCVEGCSA-N 0 3 331.319 1.616 20 5 EDBDHN Cc1c(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595089827 449865167 /nfs/dbraw/zinc/86/51/67/449865167.db2.gz MVEYCHYVOCKYCH-LBPRGKRZSA-N 0 3 348.403 1.831 20 5 EDBDHN Cc1sc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601420699 449937072 /nfs/dbraw/zinc/93/70/72/449937072.db2.gz FKUHXQPGXOMLEI-PSASIEDQSA-N 0 3 333.435 1.678 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000601422812 449941891 /nfs/dbraw/zinc/94/18/91/449941891.db2.gz ZVWGDJCMAYCLTF-STQMWFEESA-N 0 3 341.433 1.925 20 5 EDBDHN Cc1cc(S(=O)(=O)NCCN(C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000601400015 449916108 /nfs/dbraw/zinc/91/61/08/449916108.db2.gz WFFIRYPVHQADQS-UHFFFAOYSA-N 0 3 333.385 1.661 20 5 EDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595260787 449983503 /nfs/dbraw/zinc/98/35/03/449983503.db2.gz KYEWBMZYSUZLGK-OASPWFOLSA-N 0 3 327.381 1.973 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601474761 449998206 /nfs/dbraw/zinc/99/82/06/449998206.db2.gz SRHWOTFKDWNPEC-LLVKDONJSA-N 0 3 347.462 1.975 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601474761 449998211 /nfs/dbraw/zinc/99/82/11/449998211.db2.gz SRHWOTFKDWNPEC-LLVKDONJSA-N 0 3 347.462 1.975 20 5 EDBDHN COCCN1CCC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000609268795 449996200 /nfs/dbraw/zinc/99/62/00/449996200.db2.gz BWPYPYKZUSFVCD-GFCCVEGCSA-N 0 3 346.387 1.917 20 5 EDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000603051823 450035948 /nfs/dbraw/zinc/03/59/48/450035948.db2.gz FJYWAZRHUUSSJU-JKSUJKDBSA-N 0 3 349.431 1.736 20 5 EDBDHN COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)c([N+](=O)[O-])c1 ZINC000615297098 450052477 /nfs/dbraw/zinc/05/24/77/450052477.db2.gz PCWJLSKVERLIAY-VXGBXAGGSA-N 0 3 343.405 1.364 20 5 EDBDHN CN(C)CCn1cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610477977 450235122 /nfs/dbraw/zinc/23/51/22/450235122.db2.gz AHDXIQAZJFDIRF-UHFFFAOYSA-N 0 3 346.391 1.717 20 5 EDBDHN CN(C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832614 450240450 /nfs/dbraw/zinc/24/04/50/450240450.db2.gz GJSMZZHQMFDMPQ-UHFFFAOYSA-N 0 3 347.375 1.843 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000340425023 535967732 /nfs/dbraw/zinc/96/77/32/535967732.db2.gz CEZFHSINAXTGLU-ZDUSSCGKSA-N 0 3 335.404 1.661 20 5 EDBDHN Cc1c(CO)cc([N+](=O)[O-])c(N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000732043865 578688244 /nfs/dbraw/zinc/68/82/44/578688244.db2.gz TZRODLUCJFVNEI-GFCCVEGCSA-N 0 3 336.348 1.588 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@H](CN(C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000733165195 578745460 /nfs/dbraw/zinc/74/54/60/578745460.db2.gz IGCGRKNMSSPFCW-CQSZACIVSA-N 0 3 337.376 1.697 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000734446699 578814660 /nfs/dbraw/zinc/81/46/60/578814660.db2.gz BKWOYNJXFKBJJE-GFCCVEGCSA-N 0 3 339.367 1.913 20 5 EDBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000771793374 580294148 /nfs/dbraw/zinc/29/41/48/580294148.db2.gz BBLFNPGDQFCDIW-ZWNOBZJWSA-N 0 3 337.376 1.681 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000776276000 580413668 /nfs/dbraw/zinc/41/36/68/580413668.db2.gz FPOGPKFBAOAIRH-IAGOWNOFSA-N 0 3 336.388 1.898 20 5 EDBDHN COC[C@@](C)(CC(=O)OC)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591521 580423024 /nfs/dbraw/zinc/42/30/24/580423024.db2.gz OEZKDDPFVRUCGA-UKRRQHHQSA-N 0 3 326.349 1.186 20 5 EDBDHN C[C@@H]1CCCN1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000783921071 580608437 /nfs/dbraw/zinc/60/84/37/580608437.db2.gz QTXPGSAWAAMXEH-CYBMUJFWSA-N 0 3 343.387 1.995 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H](O)C(F)(F)F ZINC000788989416 580734293 /nfs/dbraw/zinc/73/42/93/580734293.db2.gz YNSGEIXHZQQNBS-KCJUWKMLSA-N 0 3 335.282 1.825 20 5 EDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000792876015 580829942 /nfs/dbraw/zinc/82/99/42/580829942.db2.gz KDYPCCHGSFAAEV-CYBMUJFWSA-N 0 3 325.321 1.380 20 5 EDBDHN C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000801544868 581079443 /nfs/dbraw/zinc/07/94/43/581079443.db2.gz VOKYTRFMOWIBRZ-MFKMUULPSA-N 0 3 345.396 1.494 20 5 EDBDHN CCCN1CCC[C@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000804775284 590765539 /nfs/dbraw/zinc/76/55/39/590765539.db2.gz BRUVJVVJZXPJCD-AWEZNQCLSA-N 0 3 349.387 1.777 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1CCC[C@H]1C ZINC000892203218 590862983 /nfs/dbraw/zinc/86/29/83/590862983.db2.gz SDSZSHAQWWOCTL-GFCCVEGCSA-N 0 3 336.392 1.887 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000893938788 591143778 /nfs/dbraw/zinc/14/37/78/591143778.db2.gz GDGXTGIEFPMSDK-FZMZJTMJSA-N 0 3 328.372 1.587 20 5 EDBDHN CCOC(=O)c1ccnc(N2C[C@@]3(C)CN(C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000894796823 591420003 /nfs/dbraw/zinc/42/00/03/591420003.db2.gz FDKWXJWDLURCLL-IAGOWNOFSA-N 0 3 348.403 1.945 20 5 EDBDHN COc1nn(C)cc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000898024971 591760278 /nfs/dbraw/zinc/76/02/78/591760278.db2.gz BDLCKJCORIZSLU-UHFFFAOYSA-N 0 3 346.391 1.491 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000898067642 591772092 /nfs/dbraw/zinc/77/20/92/591772092.db2.gz HZHMKXRFELACFH-MRXNPFEDSA-N 0 3 341.383 1.485 20 5 EDBDHN O=C(COc1cc(F)ccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000023209753 591899338 /nfs/dbraw/zinc/89/93/38/591899338.db2.gz IYBUQPUDAGJATK-UHFFFAOYSA-N 0 3 337.351 1.856 20 5 EDBDHN COC[C@H]1CNCCN1c1ccc([N+](=O)[O-])cc1Br ZINC000900451682 592021108 /nfs/dbraw/zinc/02/11/08/592021108.db2.gz VSGPFPGSSKBXDL-SNVBAGLBSA-N 0 3 330.182 1.782 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000900911891 592169698 /nfs/dbraw/zinc/16/96/98/592169698.db2.gz GJUQQYRHJLGVBJ-LBPRGKRZSA-N 0 3 349.387 1.828 20 5 EDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@]1(O)CCCN(C)C1)CC2 ZINC000901316509 592338954 /nfs/dbraw/zinc/33/89/54/592338954.db2.gz DFDJPDCOGYKBKP-KRWDZBQOSA-N 0 3 333.388 1.639 20 5 EDBDHN COC[C@H]1CNCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903876572 592357180 /nfs/dbraw/zinc/35/71/80/592357180.db2.gz YYIOUMGSIHZQDX-LLVKDONJSA-N 0 3 342.783 1.107 20 5 EDBDHN CN(C)C[C@H](CO)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908199429 592377011 /nfs/dbraw/zinc/37/70/11/592377011.db2.gz DYRAQILPZSWIJV-LLVKDONJSA-N 0 3 329.784 1.220 20 5 EDBDHN C/C(=C/C(=O)N[C@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000908204656 592381508 /nfs/dbraw/zinc/38/15/08/592381508.db2.gz SGLWUBWCNGCRRT-WVUXNXBLSA-N 0 3 333.388 1.571 20 5 EDBDHN O=C(N[C@H](CO)CN1CCCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908206437 592384081 /nfs/dbraw/zinc/38/40/81/592384081.db2.gz RWQONISXYQUFKI-JTQLQIEISA-N 0 3 345.758 1.574 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907113992 592517065 /nfs/dbraw/zinc/51/70/65/592517065.db2.gz GCBRHQJHTOFTEY-OAHLLOKOSA-N 0 3 343.811 1.610 20 5 EDBDHN COC[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000905616131 592594703 /nfs/dbraw/zinc/59/47/03/592594703.db2.gz GXOSYKLZZOSPLA-ZDUSSCGKSA-N 0 3 344.433 1.877 20 5 EDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[C@]1(O)CCOC1 ZINC000905926991 592685407 /nfs/dbraw/zinc/68/54/07/592685407.db2.gz XUOWETHHMROVGY-IAGOWNOFSA-N 0 3 338.404 1.708 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000910206255 592801394 /nfs/dbraw/zinc/80/13/94/592801394.db2.gz URMBBKJLSKONBA-OAHLLOKOSA-N 0 3 344.371 1.917 20 5 EDBDHN Cc1c(CC(=O)N(CCO)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000911940351 593040061 /nfs/dbraw/zinc/04/00/61/593040061.db2.gz LTZHYJUGJVVXKG-UHFFFAOYSA-N 0 3 335.404 1.361 20 5 EDBDHN C[C@H](C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000761665943 593420282 /nfs/dbraw/zinc/42/02/82/593420282.db2.gz VYSGBYMLYPTPIO-VBNZEHGJSA-N 0 3 333.388 1.678 20 5 EDBDHN CSC[C@@H](C)C(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813102413 593517393 /nfs/dbraw/zinc/51/73/93/593517393.db2.gz RFEYXWJYISRSBF-GHMZBOCLSA-N 0 3 332.422 1.433 20 5 EDBDHN CC(COC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000813114096 593518874 /nfs/dbraw/zinc/51/88/74/593518874.db2.gz MEHVFHMEKDPPKG-NSHDSACASA-N 0 3 341.385 1.548 20 5 EDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813115799 593519085 /nfs/dbraw/zinc/51/90/85/593519085.db2.gz ZUPUTTZLWUEFPD-AAEUAGOBSA-N 0 3 338.335 1.886 20 5 EDBDHN CN1CC[C@](O)(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813516450 593537821 /nfs/dbraw/zinc/53/78/21/593537821.db2.gz DHDNXNVENNLXOL-ZDUSSCGKSA-N 0 3 348.186 1.698 20 5 EDBDHN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000816091081 593673421 /nfs/dbraw/zinc/67/34/21/593673421.db2.gz JWSHNWLPHJCEPV-WFASDCNBSA-N 0 3 338.360 1.415 20 5 EDBDHN CC1(C)OC[C@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000819155670 593741923 /nfs/dbraw/zinc/74/19/23/593741923.db2.gz OYPGVQGELYBDTK-OCCSQVGLSA-N 0 3 326.349 1.076 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2COC3(CCOCC3)O2)cc1 ZINC000819215456 593744663 /nfs/dbraw/zinc/74/46/63/593744663.db2.gz HRQQWYFKWGCCTQ-GJZGRUSLSA-N 0 3 338.360 1.140 20 5 EDBDHN C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000820656575 593854768 /nfs/dbraw/zinc/85/47/68/593854768.db2.gz GPAKISBBVPGWHO-QWRGUYRKSA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000820656575 593854769 /nfs/dbraw/zinc/85/47/69/593854769.db2.gz GPAKISBBVPGWHO-QWRGUYRKSA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000820656575 593854773 /nfs/dbraw/zinc/85/47/73/593854773.db2.gz GPAKISBBVPGWHO-QWRGUYRKSA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000820656575 593854775 /nfs/dbraw/zinc/85/47/75/593854775.db2.gz GPAKISBBVPGWHO-QWRGUYRKSA-N 0 3 331.380 1.694 20 5 EDBDHN C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821623811 593884503 /nfs/dbraw/zinc/88/45/03/593884503.db2.gz SYPUBDFESSYCIW-OLZOCXBDSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821623811 593884504 /nfs/dbraw/zinc/88/45/04/593884504.db2.gz SYPUBDFESSYCIW-OLZOCXBDSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821623811 593884506 /nfs/dbraw/zinc/88/45/06/593884506.db2.gz SYPUBDFESSYCIW-OLZOCXBDSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821623811 593884507 /nfs/dbraw/zinc/88/45/07/593884507.db2.gz SYPUBDFESSYCIW-OLZOCXBDSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821623199 593884899 /nfs/dbraw/zinc/88/48/99/593884899.db2.gz GASYWEXKLBFHAY-SMDDNHRTSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821623199 593884900 /nfs/dbraw/zinc/88/49/00/593884900.db2.gz GASYWEXKLBFHAY-SMDDNHRTSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821623199 593884902 /nfs/dbraw/zinc/88/49/02/593884902.db2.gz GASYWEXKLBFHAY-SMDDNHRTSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821623199 593884904 /nfs/dbraw/zinc/88/49/04/593884904.db2.gz GASYWEXKLBFHAY-SMDDNHRTSA-N 0 3 343.391 1.695 20 5 EDBDHN NC(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000825742748 594235707 /nfs/dbraw/zinc/23/57/07/594235707.db2.gz CBAUGGHWHJRBHT-NSHDSACASA-N 0 3 332.282 1.133 20 5 EDBDHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827157412 594648961 /nfs/dbraw/zinc/64/89/61/594648961.db2.gz BGKMWCKIPQYKIU-UHFFFAOYSA-N 0 3 342.827 1.700 20 5 EDBDHN CCO[C@@H](CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)CN(C)C ZINC000831724078 594696526 /nfs/dbraw/zinc/69/65/26/594696526.db2.gz LWXNYSPZTFFFRN-ZDUSSCGKSA-N 0 3 339.392 1.608 20 5 EDBDHN CC([C@@H](OC(=O)CN1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873304 595085339 /nfs/dbraw/zinc/08/53/39/595085339.db2.gz CHYCASCXAOPTCQ-IAQYHMDHSA-N 0 3 326.324 1.407 20 5 EDBDHN CN(Cc1ccccc1)C[C@H](O)Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834382348 595107380 /nfs/dbraw/zinc/10/73/80/595107380.db2.gz LIWIVZOXGAJCNI-LBPRGKRZSA-N 0 3 335.320 1.192 20 5 EDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NOCCN(C)C)c1 ZINC000846232230 595180807 /nfs/dbraw/zinc/18/08/07/595180807.db2.gz NXYPPADJIYIALS-UHFFFAOYSA-N 0 3 347.375 1.371 20 5 EDBDHN Cc1ccccc1[C@@H](O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843072939 595281350 /nfs/dbraw/zinc/28/13/50/595281350.db2.gz FILDBTXZRWUTIG-YJBOKZPZSA-N 0 3 346.383 1.966 20 5 EDBDHN CC(C)(C)[C@H](O)C[C@@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843103478 595287591 /nfs/dbraw/zinc/28/75/91/595287591.db2.gz ADQFFYRBKIMZBH-AEGPPILISA-N 0 3 326.393 1.376 20 5 EDBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000848351725 595366680 /nfs/dbraw/zinc/36/66/80/595366680.db2.gz GKAHDDDVBCIQAD-PMPSAXMXSA-N 0 3 333.388 1.761 20 5 EDBDHN O=C([N-][C@@H]1CC12CC[NH2+]CC2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763342 595599284 /nfs/dbraw/zinc/59/92/84/595599284.db2.gz YFJLKJHGOGWIAB-GFCCVEGCSA-N 0 3 341.314 1.825 20 5 EDBDHN CN(C)[C@H]1CCc2ccccc2N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000857930020 595656746 /nfs/dbraw/zinc/65/67/46/595656746.db2.gz NROFIMNFESGGIQ-AWEZNQCLSA-N 0 3 343.387 1.701 20 5 EDBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(N2CC[C@H](O)C2)CC1 ZINC000853966988 595936384 /nfs/dbraw/zinc/93/63/84/595936384.db2.gz ZOUURESTQVUNHE-HNNXBMFYSA-N 0 3 333.388 1.833 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@H]2NCc3ccccc32)n1 ZINC000854153037 595991877 /nfs/dbraw/zinc/99/18/77/595991877.db2.gz CSWVETCKDCBQFW-LLVKDONJSA-N 0 3 326.316 1.765 20 5 EDBDHN Cc1c([C@@H](C)NC[C@]23COC(=O)N2CCOC3)cccc1[N+](=O)[O-] ZINC000866523552 596240833 /nfs/dbraw/zinc/24/08/33/596240833.db2.gz FGUNOVNBORRFOT-WBMJQRKESA-N 0 3 335.360 1.775 20 5 EDBDHN Cc1c([C@H](C)NC[C@@]23COC(=O)N2CCOC3)cccc1[N+](=O)[O-] ZINC000866523549 596241178 /nfs/dbraw/zinc/24/11/78/596241178.db2.gz FGUNOVNBORRFOT-BLLLJJGKSA-N 0 3 335.360 1.775 20 5 EDBDHN CCc1ccc(S(=O)(=O)N2CCNCCC2(C)C)cc1[N+](=O)[O-] ZINC000866802684 596354587 /nfs/dbraw/zinc/35/45/87/596354587.db2.gz IVZKNVQXODTUJV-UHFFFAOYSA-N 0 3 341.433 1.920 20 5 EDBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000119462029 596586223 /nfs/dbraw/zinc/58/62/23/596586223.db2.gz FYEICUAKDAEPGD-UHFFFAOYSA-N 0 3 336.392 1.065 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]CC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000123684150 596644363 /nfs/dbraw/zinc/64/43/63/596644363.db2.gz VFFKRUXYEUZOCM-UHFFFAOYSA-N 0 3 333.797 1.587 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000872232413 596846790 /nfs/dbraw/zinc/84/67/90/596846790.db2.gz YWMRXLBEPNIFQM-CVEARBPZSA-N 0 3 336.388 1.804 20 5 EDBDHN Cc1c(CNC[C@]2(CO)COCC3(CCC3)N2C)cccc1[N+](=O)[O-] ZINC000873141862 597209160 /nfs/dbraw/zinc/20/91/60/597209160.db2.gz LLZUJHXWAVBGGD-SFHVURJKSA-N 0 3 349.431 1.609 20 5 EDBDHN CC1(NCc2csc([N+](=O)[O-])c2)CCN(C(=O)CC(N)=O)CC1 ZINC000940014635 700116018 /nfs/dbraw/zinc/11/60/18/700116018.db2.gz MLVOZZXFMGTUHG-UHFFFAOYSA-N 0 3 340.405 1.002 20 5 EDBDHN CC1CCN(CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000917514835 697032606 /nfs/dbraw/zinc/03/26/06/697032606.db2.gz LOSKMFCHHOHFOH-UHFFFAOYSA-N 0 3 345.403 1.793 20 5 EDBDHN O=C1C[C@H](CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CN1 ZINC000922783127 704336403 /nfs/dbraw/zinc/33/64/03/704336403.db2.gz ZUNYODLAXDCGAW-VIFPVBQESA-N 0 3 329.303 1.812 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)c2cocn2)CC1 ZINC001034605192 710268252 /nfs/dbraw/zinc/26/82/52/710268252.db2.gz FBZMCZFOZBWKLP-XYPYZODXSA-N 0 3 348.363 1.147 20 5 EDBDHN Cc1nn(C)c(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000371348761 282272489 /nfs/dbraw/zinc/27/24/89/282272489.db2.gz CTOFWEIJWFCMFS-JSGCOSHPSA-N 0 3 336.440 1.099 20 5 EDBDHN Cc1nn(CCC(=O)NC2CCN(C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000102325818 219194356 /nfs/dbraw/zinc/19/43/56/219194356.db2.gz SIZHPMZLSAYDFC-UHFFFAOYSA-N 0 3 335.408 1.541 20 5 EDBDHN CC1(C)CCN(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000561155476 306283004 /nfs/dbraw/zinc/28/30/04/306283004.db2.gz KYQQPIPKDBGOEY-UHFFFAOYSA-N 0 3 346.431 1.975 20 5 EDBDHN CN(CCN1CCCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103117664 219257913 /nfs/dbraw/zinc/25/79/13/219257913.db2.gz RXJWPPWUWKAIAV-UHFFFAOYSA-N 0 3 343.387 1.948 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN(Cc2ccccc2)CC1 ZINC000043271891 138110285 /nfs/dbraw/zinc/11/02/85/138110285.db2.gz QJUNEWRYHXBEQJ-UHFFFAOYSA-N 0 3 343.387 1.572 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](Nc2ccccc2)C1 ZINC000090553945 138279538 /nfs/dbraw/zinc/27/95/38/138279538.db2.gz RCQINCUOVKSFKA-OAHLLOKOSA-N 0 3 328.372 1.943 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000131133554 223208235 /nfs/dbraw/zinc/20/82/35/223208235.db2.gz WOKRBMJPPSCNHK-TZMCWYRMSA-N 0 3 334.376 1.475 20 5 EDBDHN C[C@@H]1CCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072875631 216322302 /nfs/dbraw/zinc/32/23/02/216322302.db2.gz SZWHWWNZXCAIQT-CQSZACIVSA-N 0 3 332.404 1.728 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000565711841 306389394 /nfs/dbraw/zinc/38/93/94/306389394.db2.gz ILWIJIHYLQDWSY-GXFFZTMASA-N 0 3 333.344 1.490 20 5 EDBDHN NCc1cn([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC000415139560 304163662 /nfs/dbraw/zinc/16/36/62/304163662.db2.gz ZXBJDTFHEAWSKO-AWEZNQCLSA-N 0 3 334.355 1.621 20 5 EDBDHN Cc1sc(C(=O)N(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000110866508 220072994 /nfs/dbraw/zinc/07/29/94/220072994.db2.gz VBHZPBRZDSTPPO-UHFFFAOYSA-N 0 3 340.449 1.674 20 5 EDBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCNCC1 ZINC000237477180 139052076 /nfs/dbraw/zinc/05/20/76/139052076.db2.gz XATQWYNLIOFORX-SNVBAGLBSA-N 0 3 327.768 1.837 20 5 EDBDHN C[C@]1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCCN1 ZINC000237535507 139053442 /nfs/dbraw/zinc/05/34/42/139053442.db2.gz HUVGVNWYUJTMKU-MLGOLLRUSA-N 0 3 333.392 1.535 20 5 EDBDHN O=C(CNC[C@H]1CCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237924357 139063897 /nfs/dbraw/zinc/06/38/97/139063897.db2.gz XYOOTOZJTRPJHS-CQSZACIVSA-N 0 3 348.403 1.012 20 5 EDBDHN C[C@H]1CCN[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000261659609 139215340 /nfs/dbraw/zinc/21/53/40/139215340.db2.gz KMEYAWZZTAFCEE-BBRMVZONSA-N 0 3 332.404 1.632 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCNCC3)cn2)c1 ZINC000261803489 139227281 /nfs/dbraw/zinc/22/72/81/139227281.db2.gz AJBNBUPNSIPFNP-UHFFFAOYSA-N 0 3 341.371 1.960 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2c(c1F)CCNC2 ZINC000261820098 139228786 /nfs/dbraw/zinc/22/87/86/139228786.db2.gz XUTYGEPFVHUYCO-UHFFFAOYSA-N 0 3 346.318 1.180 20 5 EDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(CCCO)C1 ZINC000493216954 255197453 /nfs/dbraw/zinc/19/74/53/255197453.db2.gz IVTTVSVRKOAZRD-AJHXJQRKSA-N 0 3 333.388 1.571 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271808170 140354223 /nfs/dbraw/zinc/35/42/23/140354223.db2.gz BOIYRBWWCCWINV-UHFFFAOYSA-N 0 3 332.360 1.220 20 5 EDBDHN COc1ccc(CNC(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272070363 140395914 /nfs/dbraw/zinc/39/59/14/140395914.db2.gz JJKRTARHTHPDNH-UHFFFAOYSA-N 0 3 334.376 1.665 20 5 EDBDHN COc1c(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000331047692 140975184 /nfs/dbraw/zinc/97/51/84/140975184.db2.gz HALURTCQVBDNNP-QWHCGFSZSA-N 0 3 339.417 1.721 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)N(C)C1 ZINC000345133250 143055216 /nfs/dbraw/zinc/05/52/16/143055216.db2.gz OVEFVCWXDJSMQE-STQMWFEESA-N 0 3 333.392 1.622 20 5 EDBDHN CCCN(CCN1CCCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000346260171 143184533 /nfs/dbraw/zinc/18/45/33/143184533.db2.gz RVQHCRNHMZFAOL-UHFFFAOYSA-N 0 3 338.412 1.301 20 5 EDBDHN CN1CC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000416494637 304324335 /nfs/dbraw/zinc/32/43/35/304324335.db2.gz JAALKFIRCBHEIB-GFCCVEGCSA-N 0 3 327.406 1.008 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000346608089 143221736 /nfs/dbraw/zinc/22/17/36/143221736.db2.gz KHCMPVPJTZSIRM-CQSZACIVSA-N 0 3 331.376 1.519 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000340573920 149054817 /nfs/dbraw/zinc/05/48/17/149054817.db2.gz PLAAGIDISPCQGN-KGLIPLIRSA-N 0 3 331.376 1.376 20 5 EDBDHN COC(=O)COc1ccc(CNCCc2cnccn2)cc1[N+](=O)[O-] ZINC000353194790 149319678 /nfs/dbraw/zinc/31/96/78/149319678.db2.gz SWMFDCLCPZOCHB-UHFFFAOYSA-N 0 3 346.343 1.269 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@H](C)SC)cc1[N+](=O)[O-] ZINC000353212494 149326402 /nfs/dbraw/zinc/32/64/02/149326402.db2.gz XQMGVPCCNYIOJJ-SNVBAGLBSA-N 0 3 328.390 1.988 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)[C@@H]2C1 ZINC000355358562 150232175 /nfs/dbraw/zinc/23/21/75/150232175.db2.gz BMKIWUSWPKVFEG-CVEARBPZSA-N 0 3 333.388 1.838 20 5 EDBDHN O=C(NC1CCCCC1)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370028615 155288892 /nfs/dbraw/zinc/28/88/92/155288892.db2.gz QRKFYAAVGVGFNV-CQSZACIVSA-N 0 3 349.435 1.952 20 5 EDBDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000357415646 151024827 /nfs/dbraw/zinc/02/48/27/151024827.db2.gz NPYPSTMFBJIKJV-CMPLNLGQSA-N 0 3 337.376 1.825 20 5 EDBDHN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000357661378 151106869 /nfs/dbraw/zinc/10/68/69/151106869.db2.gz FVHOGNHPZYJUFH-SECBINFHSA-N 0 3 335.813 1.867 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000357839400 151168543 /nfs/dbraw/zinc/16/85/43/151168543.db2.gz YAQIWGHMLBJFEA-JSGCOSHPSA-N 0 3 343.387 1.579 20 5 EDBDHN CN1CC[C@](O)(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358128752 151282036 /nfs/dbraw/zinc/28/20/36/151282036.db2.gz COXIZBOBWIXQCI-INIZCTEOSA-N 0 3 348.428 1.875 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000363738065 153043188 /nfs/dbraw/zinc/04/31/88/153043188.db2.gz YBYDDVJCIQOHPL-CYBMUJFWSA-N 0 3 334.376 1.281 20 5 EDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000363919227 153096716 /nfs/dbraw/zinc/09/67/16/153096716.db2.gz JAJVMDAHLITEOP-OAHLLOKOSA-N 0 3 346.431 1.835 20 5 EDBDHN CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2cccnc21 ZINC000365003485 153395733 /nfs/dbraw/zinc/39/57/33/153395733.db2.gz QUENTSZQTWXJEJ-CVEARBPZSA-N 0 3 345.403 1.947 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H]1Cc2ccccc2O1 ZINC000574432256 306650808 /nfs/dbraw/zinc/65/08/08/306650808.db2.gz LQMHAZMRLCHQTK-LSDHHAIUSA-N 0 3 344.367 1.928 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000367385667 154100316 /nfs/dbraw/zinc/10/03/16/154100316.db2.gz ZGRSXURKIDUBCK-UHFFFAOYSA-N 0 3 330.348 1.169 20 5 EDBDHN O=C(CCN1CC[C@@H]2COC(=O)N[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000374172593 157176962 /nfs/dbraw/zinc/17/69/62/157176962.db2.gz NXYFTDLHMGGPHN-RISCZKNCSA-N 0 3 348.359 1.354 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(C)(CO)CO ZINC000159530488 225234682 /nfs/dbraw/zinc/23/46/82/225234682.db2.gz DTEJABLHQOLBMI-UHFFFAOYSA-N 0 3 339.392 1.155 20 5 EDBDHN Cc1nn(C)c(C(=O)NCc2ccccc2CN(C)C)c1[N+](=O)[O-] ZINC000193916656 273000101 /nfs/dbraw/zinc/00/01/01/273000101.db2.gz DTPBZMKECMSIQD-UHFFFAOYSA-N 0 3 331.376 1.628 20 5 EDBDHN CN(C)C1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)Cc2ccccc2C1 ZINC000265900571 273019243 /nfs/dbraw/zinc/01/92/43/273019243.db2.gz CDBZSEKTEAKUGL-UHFFFAOYSA-N 0 3 343.387 1.007 20 5 EDBDHN COCC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000273327250 268025847 /nfs/dbraw/zinc/02/58/47/268025847.db2.gz TUVDUSVDLQAONZ-KGLIPLIRSA-N 0 3 338.364 1.421 20 5 EDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCC1 ZINC000275420043 268339912 /nfs/dbraw/zinc/33/99/12/268339912.db2.gz CHOMFQZJHZSZBZ-UHFFFAOYSA-N 0 3 345.396 1.805 20 5 EDBDHN CN(Cc1cccnc1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000275472107 268347615 /nfs/dbraw/zinc/34/76/15/268347615.db2.gz AOQQSSVQWZNNJE-CQSZACIVSA-N 0 3 328.376 1.738 20 5 EDBDHN C[C@@H]1C[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CN1C1CC1 ZINC000273465467 273041609 /nfs/dbraw/zinc/04/16/09/273041609.db2.gz JDMNONCGNBIJPF-NXEZZACHSA-N 0 3 340.405 1.279 20 5 EDBDHN CN(C)CCc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000275633628 273115593 /nfs/dbraw/zinc/11/55/93/273115593.db2.gz KZGNNXSNFGPFJO-UHFFFAOYSA-N 0 3 331.376 1.924 20 5 EDBDHN COc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000278074279 273247120 /nfs/dbraw/zinc/24/71/20/273247120.db2.gz JQFZRDPFEXKCPH-SSDOTTSWSA-N 0 3 333.222 1.981 20 5 EDBDHN O=C(CN[C@H]1CCC[C@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279238209 273287186 /nfs/dbraw/zinc/28/71/86/273287186.db2.gz JTQLMFZYHXRQMW-WFASDCNBSA-N 0 3 333.388 1.625 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)NC2(CN(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281564315 273492832 /nfs/dbraw/zinc/49/28/32/273492832.db2.gz AFTLTDXTDZWOFI-UHFFFAOYSA-N 0 3 348.403 1.234 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)CCCOC)c1 ZINC000283922043 274012147 /nfs/dbraw/zinc/01/21/47/274012147.db2.gz KAKRQCXVFZSNSW-UHFFFAOYSA-N 0 3 339.392 1.692 20 5 EDBDHN O=C1CNC(=O)N1CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130854207 275018733 /nfs/dbraw/zinc/01/87/33/275018733.db2.gz BTGWNIPUBKYAIJ-UHFFFAOYSA-N 0 3 332.360 1.501 20 5 EDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000245526388 277155638 /nfs/dbraw/zinc/15/56/38/277155638.db2.gz PDAWGDYEESLESZ-WCQYABFASA-N 0 3 347.371 1.880 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000178338664 281011767 /nfs/dbraw/zinc/01/17/67/281011767.db2.gz RTRXRRCEIFRNHG-CQSZACIVSA-N 0 3 333.392 1.041 20 5 EDBDHN COC(=O)c1cc(C)nc(N[C@@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288061815 288394429 /nfs/dbraw/zinc/39/44/29/288394429.db2.gz YIVYXZMKMWJQBU-TVQRCGJNSA-N 0 3 334.376 1.979 20 5 EDBDHN C[C@H]1[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291702873 289155650 /nfs/dbraw/zinc/15/56/50/289155650.db2.gz FNWIFVZVHSNUGA-WCQYABFASA-N 0 3 329.360 1.711 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000332054715 289201144 /nfs/dbraw/zinc/20/11/44/289201144.db2.gz YWMJQGIKUFQSIA-LLVKDONJSA-N 0 3 332.360 1.479 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420462483 304760904 /nfs/dbraw/zinc/76/09/04/304760904.db2.gz HTXWQFUZJKYJKL-MNOVXSKESA-N 0 3 343.405 1.399 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000294696825 303137122 /nfs/dbraw/zinc/13/71/22/303137122.db2.gz QQKBWZWGZCJWPP-BRMMKFBUSA-N 0 3 347.415 1.912 20 5 EDBDHN CC1(C)OCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000295150318 303180265 /nfs/dbraw/zinc/18/02/65/303180265.db2.gz DDHXOOSLYZDJHU-ZDUSSCGKSA-N 0 3 337.332 1.419 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000295344984 303207521 /nfs/dbraw/zinc/20/75/21/303207521.db2.gz NRENRTSWTPDPKW-MRXNPFEDSA-N 0 3 348.359 1.979 20 5 EDBDHN CC1(C)C[C@@H](O)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000295420345 303216523 /nfs/dbraw/zinc/21/65/23/303216523.db2.gz IKLZEJWWYAAACW-GJZGRUSLSA-N 0 3 338.404 1.817 20 5 EDBDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000295694950 303253404 /nfs/dbraw/zinc/25/34/04/303253404.db2.gz SVSOZALRWZVBIO-QWHCGFSZSA-N 0 3 329.360 1.072 20 5 EDBDHN C[C@@H]1[C@H](O)CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000296242088 303304066 /nfs/dbraw/zinc/30/40/66/303304066.db2.gz NMQGVGHRSZSOBA-QMTHXVAHSA-N 0 3 325.340 1.908 20 5 EDBDHN CN(C)CCN(C)C(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000298505205 303530591 /nfs/dbraw/zinc/53/05/91/303530591.db2.gz YPMSBHUMGTZICI-UHFFFAOYSA-N 0 3 348.403 1.106 20 5 EDBDHN CN1CCN(C(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000429701771 305035547 /nfs/dbraw/zinc/03/55/47/305035547.db2.gz XCRAASUPTHSEBV-UHFFFAOYSA-N 0 3 346.431 1.723 20 5 EDBDHN CC[C@@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000449173711 305308659 /nfs/dbraw/zinc/30/86/59/305308659.db2.gz GLWBNLHVEWMXQP-UKRRQHHQSA-N 0 3 335.404 1.753 20 5 EDBDHN CC(C)N1CC[C@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000452115134 305383507 /nfs/dbraw/zinc/38/35/07/305383507.db2.gz LCXUFSPNYLQHRM-INIZCTEOSA-N 0 3 346.431 1.898 20 5 EDBDHN CSc1ccc(C(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000540844927 306040717 /nfs/dbraw/zinc/04/07/17/306040717.db2.gz ZHXMPQPTSFZIEH-UHFFFAOYSA-N 0 3 327.406 1.625 20 5 EDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000554013332 306188689 /nfs/dbraw/zinc/18/86/89/306188689.db2.gz UCKBQKXADZAJNT-DZGCQCFKSA-N 0 3 340.401 1.421 20 5 EDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)C1CCN(C2CC2)CC1 ZINC000555246458 306200643 /nfs/dbraw/zinc/20/06/43/306200643.db2.gz HYRNTXJMDMMASI-UHFFFAOYSA-N 0 3 333.388 1.964 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000104747834 441204334 /nfs/dbraw/zinc/20/43/34/441204334.db2.gz RTAANHNUJAEVLQ-GFCCVEGCSA-N 0 3 341.433 1.729 20 5 EDBDHN CCN1CCC(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000060793193 441257985 /nfs/dbraw/zinc/25/79/85/441257985.db2.gz RLTRHQFOKKDTCH-UHFFFAOYSA-N 0 3 335.360 1.596 20 5 EDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000048313204 441291593 /nfs/dbraw/zinc/29/15/93/441291593.db2.gz ZLUFMRFHUWTTNR-CQSZACIVSA-N 0 3 344.375 1.140 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000073534698 441322779 /nfs/dbraw/zinc/32/27/79/441322779.db2.gz GEBIZUOJXZDWPE-CYBMUJFWSA-N 0 3 335.408 1.790 20 5 EDBDHN O=C(CCN1CCC2(CC1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000026936730 441390463 /nfs/dbraw/zinc/39/04/63/441390463.db2.gz WRZKRRPEPNZGDY-UHFFFAOYSA-N 0 3 335.360 1.762 20 5 EDBDHN CC(C)(C)C(=O)NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000028755066 441437489 /nfs/dbraw/zinc/43/74/89/441437489.db2.gz IHHPMVSFCSHBFJ-GFCCVEGCSA-N 0 3 339.392 1.086 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000108406313 441452379 /nfs/dbraw/zinc/45/23/79/441452379.db2.gz UDFZMOCWERVCEZ-GFCCVEGCSA-N 0 3 327.406 1.523 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000108406697 441452895 /nfs/dbraw/zinc/45/28/95/441452895.db2.gz OBWWTDYRWOYFBH-LBPRGKRZSA-N 0 3 341.433 1.777 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108561085 441465010 /nfs/dbraw/zinc/46/50/10/441465010.db2.gz VNHXSFVGGDILJZ-AWEZNQCLSA-N 0 3 348.403 1.887 20 5 EDBDHN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC(CO)CC1 ZINC000089924641 441595208 /nfs/dbraw/zinc/59/52/08/441595208.db2.gz FOYFBEOTIAWUJA-UHFFFAOYSA-N 0 3 347.415 1.967 20 5 EDBDHN CCN1CCN(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068117109 441736204 /nfs/dbraw/zinc/73/62/04/441736204.db2.gz PRIOIDXMDXAXIN-RMKNXTFCSA-N 0 3 346.431 1.752 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000115585466 441762744 /nfs/dbraw/zinc/76/27/44/441762744.db2.gz ARHAYMPMUVOCDH-GFCCVEGCSA-N 0 3 327.406 1.557 20 5 EDBDHN CN1CC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000137574889 441774373 /nfs/dbraw/zinc/77/43/73/441774373.db2.gz ZJNBFVRHBSLYHW-LBPRGKRZSA-N 0 3 329.360 1.462 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000123178337 441879466 /nfs/dbraw/zinc/87/94/66/441879466.db2.gz KBYJYJJIVSSNDL-ZETCQYMHSA-N 0 3 339.295 1.254 20 5 EDBDHN COc1cc(CCNC(=O)CN(C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000144317337 441881221 /nfs/dbraw/zinc/88/12/21/441881221.db2.gz ZXNHHGRHNKGVHC-UHFFFAOYSA-N 0 3 339.392 1.611 20 5 EDBDHN CC(C)N1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000069082404 441886573 /nfs/dbraw/zinc/88/65/73/441886573.db2.gz BAHSSUHHHGHIRJ-UHFFFAOYSA-N 0 3 334.420 1.974 20 5 EDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(CC2CC2)C1 ZINC000119759180 441950492 /nfs/dbraw/zinc/95/04/92/441950492.db2.gz WALMWBFVNIFRGA-OAHLLOKOSA-N 0 3 332.404 1.921 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C1(C(N)=O)CCCC1 ZINC000120154044 442017375 /nfs/dbraw/zinc/01/73/75/442017375.db2.gz KGDAEGGNTIPIOW-UHFFFAOYSA-N 0 3 348.403 1.962 20 5 EDBDHN Cc1nn(CCC(=O)N(CCN(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000151941812 442144078 /nfs/dbraw/zinc/14/40/78/442144078.db2.gz AEYFJIICAHRVJD-UHFFFAOYSA-N 0 3 325.413 1.597 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CCN(CCO)CC1 ZINC000163106898 442144677 /nfs/dbraw/zinc/14/46/77/442144677.db2.gz QPHZEZVPSYROLI-UHFFFAOYSA-N 0 3 336.392 1.729 20 5 EDBDHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H](O)CN3CCCCC3)cc2N1 ZINC000170639622 442239855 /nfs/dbraw/zinc/23/98/55/442239855.db2.gz CYMSFDQFNZBARP-ZDUSSCGKSA-N 0 3 348.403 1.738 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177054454 442291380 /nfs/dbraw/zinc/29/13/80/442291380.db2.gz OEYQQMYHKLQLEF-ZWNOBZJWSA-N 0 3 347.371 1.736 20 5 EDBDHN COCCN(C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171127772 442316809 /nfs/dbraw/zinc/31/68/09/442316809.db2.gz JYBDCHZMJCCDNT-UHFFFAOYSA-N 0 3 347.375 1.089 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000133591805 442425625 /nfs/dbraw/zinc/42/56/25/442425625.db2.gz GCUNWXJZUSOPEO-WCQYABFASA-N 0 3 346.387 1.066 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000133591609 442425784 /nfs/dbraw/zinc/42/57/84/442425784.db2.gz GCUNWXJZUSOPEO-DGCLKSJQSA-N 0 3 346.387 1.066 20 5 EDBDHN O=C(CN1CCN(C[C@@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000178826167 442495048 /nfs/dbraw/zinc/49/50/48/442495048.db2.gz VKSYAPJAWLHAKY-AWEZNQCLSA-N 0 3 348.403 1.187 20 5 EDBDHN Cc1n[nH]c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000156667640 442507287 /nfs/dbraw/zinc/50/72/87/442507287.db2.gz PFAFWSVGJAFPAU-FZMZJTMJSA-N 0 3 343.387 1.877 20 5 EDBDHN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000178912473 442522660 /nfs/dbraw/zinc/52/26/60/442522660.db2.gz FUQLEUUMRFMHMA-SSDOTTSWSA-N 0 3 341.311 1.629 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](O)[C@H](C)C1 ZINC000186868090 442623388 /nfs/dbraw/zinc/62/33/88/442623388.db2.gz XGVPARRIUVHVPK-RISCZKNCSA-N 0 3 337.376 1.635 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000181345316 442691635 /nfs/dbraw/zinc/69/16/35/442691635.db2.gz WTXMLGALIXMYGG-ZDUSSCGKSA-N 0 3 348.403 1.255 20 5 EDBDHN Cc1sc(C(=O)N2CCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000193001403 442704482 /nfs/dbraw/zinc/70/44/82/442704482.db2.gz FBWZYKBJXBDIFZ-UHFFFAOYSA-N 0 3 326.422 1.284 20 5 EDBDHN CN(C)C1(CN(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000188081170 442709044 /nfs/dbraw/zinc/70/90/44/442709044.db2.gz BZAKBZMFFVYHJZ-UHFFFAOYSA-N 0 3 348.403 1.267 20 5 EDBDHN C[C@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(C)C1CC1 ZINC000183010045 442864742 /nfs/dbraw/zinc/86/47/42/442864742.db2.gz VCKYWOHIARJGEE-BZNIZROVSA-N 0 3 346.387 1.687 20 5 EDBDHN COc1cc(OCC(=O)N2CCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000268212387 442901973 /nfs/dbraw/zinc/90/19/73/442901973.db2.gz VPIBTXLMFHGAHM-LBPRGKRZSA-N 0 3 337.376 1.535 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000268237105 442912774 /nfs/dbraw/zinc/91/27/74/442912774.db2.gz MJIDZPXMHUFHSC-ZYHUDNBSSA-N 0 3 343.405 1.174 20 5 EDBDHN COc1cc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268299888 442937504 /nfs/dbraw/zinc/93/75/04/442937504.db2.gz XXHRNGYNJUIAHZ-GWCFXTLKSA-N 0 3 343.405 1.174 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000249212559 442960392 /nfs/dbraw/zinc/96/03/92/442960392.db2.gz SRCBIWLCUCVRAU-DOMZBBRYSA-N 0 3 348.403 1.640 20 5 EDBDHN CCS(=O)(=O)N1CC(CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000190686371 443163675 /nfs/dbraw/zinc/16/36/75/443163675.db2.gz IGCYUDDAGRDXFC-LLVKDONJSA-N 0 3 327.406 1.527 20 5 EDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000266520106 443155090 /nfs/dbraw/zinc/15/50/90/443155090.db2.gz ZMOYYOZGFLFWGD-JOYOIKCWSA-N 0 3 326.303 1.781 20 5 EDBDHN COc1ccc(CNCCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000185206897 443161188 /nfs/dbraw/zinc/16/11/88/443161188.db2.gz PTONGTRQCNMYMI-UHFFFAOYSA-N 0 3 330.406 1.908 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000411247707 319174544 /nfs/dbraw/zinc/17/45/44/319174544.db2.gz VSJRCYJEULBSBD-OAHLLOKOSA-N 0 3 348.403 1.607 20 5 EDBDHN CCN1CC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000413849854 319293560 /nfs/dbraw/zinc/29/35/60/319293560.db2.gz YWTQUIWOBJFOEK-LBPRGKRZSA-N 0 3 334.376 1.462 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H]1N(C)C ZINC000414465851 319327383 /nfs/dbraw/zinc/32/73/83/319327383.db2.gz UHZNPQNDNIOTGD-KBPBESRZSA-N 0 3 341.433 1.918 20 5 EDBDHN C[C@@H]1CN(C2CCOCC2)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000278397536 443318837 /nfs/dbraw/zinc/31/88/37/443318837.db2.gz FPQNEMZHEVCLEA-RDTXWAMCSA-N 0 3 349.431 1.813 20 5 EDBDHN Cc1nc([C@@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000269638100 443374341 /nfs/dbraw/zinc/37/43/41/443374341.db2.gz ICSHEYDOFGURMV-HIFRSBDPSA-N 0 3 331.376 1.934 20 5 EDBDHN Cc1n[nH]c([C@@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000269638100 443374344 /nfs/dbraw/zinc/37/43/44/443374344.db2.gz ICSHEYDOFGURMV-HIFRSBDPSA-N 0 3 331.376 1.934 20 5 EDBDHN Cc1nnc([C@@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000269638100 443374348 /nfs/dbraw/zinc/37/43/48/443374348.db2.gz ICSHEYDOFGURMV-HIFRSBDPSA-N 0 3 331.376 1.934 20 5 EDBDHN CN(CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C1CC1 ZINC000272042664 443522800 /nfs/dbraw/zinc/52/28/00/443522800.db2.gz RILZEAPUYFPQHH-UHFFFAOYSA-N 0 3 348.403 1.255 20 5 EDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000440082517 320062255 /nfs/dbraw/zinc/06/22/55/320062255.db2.gz UZBWAWIDWPPRIM-LBPRGKRZSA-N 0 3 329.422 1.912 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491560484 320372103 /nfs/dbraw/zinc/37/21/03/320372103.db2.gz FOTMJMNCEXGOQA-LYKUJDHUSA-N 0 3 337.351 1.584 20 5 EDBDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N(C)C ZINC000298604953 443814170 /nfs/dbraw/zinc/81/41/70/443814170.db2.gz PKJWEEFWVPWRQM-QMMMGPOBSA-N 0 3 328.756 1.253 20 5 EDBDHN CCOc1ccc(NC(=O)CN2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000298665343 443832813 /nfs/dbraw/zinc/83/28/13/443832813.db2.gz MAYOYTRLXFVBBL-UHFFFAOYSA-N 0 3 336.392 1.570 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC1=CCN(C)CC1 ZINC000298685325 443838245 /nfs/dbraw/zinc/83/82/45/443838245.db2.gz SBZNHJABDDCTGS-UHFFFAOYSA-N 0 3 346.387 1.528 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000536883469 320732281 /nfs/dbraw/zinc/73/22/81/320732281.db2.gz WPHCUORNLPXVJJ-STQMWFEESA-N 0 3 341.433 1.978 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)N(C)C1 ZINC000285279321 443924137 /nfs/dbraw/zinc/92/41/37/443924137.db2.gz QKYDLCXKZYLOGI-RYUDHWBXSA-N 0 3 347.375 1.262 20 5 EDBDHN C[C@H](C[S@](C)=O)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299172483 443974781 /nfs/dbraw/zinc/97/47/81/443974781.db2.gz YGUGRPJQYDTMMJ-XFNZEKPQSA-N 0 3 327.406 1.622 20 5 EDBDHN Cc1n[nH]c(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)c1[N+](=O)[O-] ZINC000299525953 444070599 /nfs/dbraw/zinc/07/05/99/444070599.db2.gz KMPNXXNEKLDCJP-ZDUSSCGKSA-N 0 3 331.376 1.529 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000567841822 321261849 /nfs/dbraw/zinc/26/18/49/321261849.db2.gz RAQOSLBFOVZQGH-NWDGAFQWSA-N 0 3 333.323 1.034 20 5 EDBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000570710858 321354929 /nfs/dbraw/zinc/35/49/29/321354929.db2.gz NFQSQXVRHQVTHJ-WCQYABFASA-N 0 3 333.344 1.786 20 5 EDBDHN CN(C)C1CN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000302165990 444206581 /nfs/dbraw/zinc/20/65/81/444206581.db2.gz ZYDMVJKUWBPFQR-UHFFFAOYSA-N 0 3 347.156 1.950 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302257933 444211120 /nfs/dbraw/zinc/21/11/20/444211120.db2.gz ORBUSQVCDHKWNR-LBPRGKRZSA-N 0 3 333.396 1.075 20 5 EDBDHN COc1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000290139580 444247332 /nfs/dbraw/zinc/24/73/32/444247332.db2.gz NTYUXQQJTLUJIO-GFCCVEGCSA-N 0 3 328.390 1.518 20 5 EDBDHN C[C@@H](Cn1ccnc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576696100 321587846 /nfs/dbraw/zinc/58/78/46/321587846.db2.gz CPTNJVXBJUWVTG-LBPRGKRZSA-N 0 3 338.389 1.243 20 5 EDBDHN NC(=O)c1ccnc(N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000290525973 444291576 /nfs/dbraw/zinc/29/15/76/444291576.db2.gz CVHVRHGDRLRELQ-UHFFFAOYSA-N 0 3 333.392 1.543 20 5 EDBDHN CCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000312716602 444295038 /nfs/dbraw/zinc/29/50/38/444295038.db2.gz HZPDCZKLFSWVPQ-SECBINFHSA-N 0 3 348.197 1.140 20 5 EDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000340507676 444416137 /nfs/dbraw/zinc/41/61/37/444416137.db2.gz XODQAVYHMYRHBG-SWLSCSKDSA-N 0 3 342.417 1.916 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)N2CCCC2)c1F ZINC000580533038 322062647 /nfs/dbraw/zinc/06/26/47/322062647.db2.gz POGKDUVRXPMNLT-NSHDSACASA-N 0 3 339.367 1.886 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342953491 444963670 /nfs/dbraw/zinc/96/36/70/444963670.db2.gz PQKYJCRFFOQEIP-UHFFFAOYSA-N 0 3 346.387 1.653 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@@H]2CCCCN2C(C)C)c1 ZINC000339118715 445039898 /nfs/dbraw/zinc/03/98/98/445039898.db2.gz CGVANRXUGYXGLP-ZDUSSCGKSA-N 0 3 337.376 1.806 20 5 EDBDHN COCCN(C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000339247519 445113384 /nfs/dbraw/zinc/11/33/84/445113384.db2.gz SPRASPVVEVIMKL-UHFFFAOYSA-N 0 3 347.375 1.089 20 5 EDBDHN CC(C)(C(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000343174344 445115369 /nfs/dbraw/zinc/11/53/69/445115369.db2.gz JYGJVNMEBBEUJN-CQSZACIVSA-N 0 3 349.431 1.835 20 5 EDBDHN Cc1cnc(N2CCN(C3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000354740308 445359701 /nfs/dbraw/zinc/35/97/01/445359701.db2.gz AGWFJOXRWSPKBZ-CQSZACIVSA-N 0 3 333.436 1.903 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000362435747 445380273 /nfs/dbraw/zinc/38/02/73/445380273.db2.gz XAQKDTOHYFRMDV-WDEREUQCSA-N 0 3 339.779 1.841 20 5 EDBDHN C[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000349685089 445645117 /nfs/dbraw/zinc/64/51/17/445645117.db2.gz MWSIESBBRFJHKJ-NWDGAFQWSA-N 0 3 328.390 1.526 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000356160432 445654898 /nfs/dbraw/zinc/65/48/98/445654898.db2.gz BWKIBCIAOWPJPE-AWEZNQCLSA-N 0 3 343.387 1.895 20 5 EDBDHN O=C1C[C@H]([C@H]2CCCCN2CCOc2ccccc2[N+](=O)[O-])CN1 ZINC000363147422 445696599 /nfs/dbraw/zinc/69/65/99/445696599.db2.gz UCJFYWXUKPZTEJ-UONOGXRCSA-N 0 3 333.388 1.964 20 5 EDBDHN Cn1ccnc1[C@H](NC[C@@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353676823 445704016 /nfs/dbraw/zinc/70/40/16/445704016.db2.gz WWUMHKUHMIORTB-WBVHZDCISA-N 0 3 345.403 1.074 20 5 EDBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@H](c1ccccc1)N(C)C ZINC000356258790 445704831 /nfs/dbraw/zinc/70/48/31/445704831.db2.gz SMDXMBMGSSZNNE-IAQYHMDHSA-N 0 3 331.376 1.750 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000353756076 445740309 /nfs/dbraw/zinc/74/03/09/445740309.db2.gz FBWLSFFMKOUIDL-MRXNPFEDSA-N 0 3 338.360 1.805 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000353761872 445743466 /nfs/dbraw/zinc/74/34/66/445743466.db2.gz FGDLIFFOFAWVTI-CYBMUJFWSA-N 0 3 337.376 1.330 20 5 EDBDHN COCCN(C)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358969400 445867686 /nfs/dbraw/zinc/86/76/86/445867686.db2.gz ANWUDRMFXKXLNS-UHFFFAOYSA-N 0 3 347.318 1.504 20 5 EDBDHN CO[C@H]1CCC[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583867137 326155390 /nfs/dbraw/zinc/15/53/90/326155390.db2.gz SXLOMENTFOCCPY-WFASDCNBSA-N 0 3 342.417 1.773 20 5 EDBDHN CN1CCC2(CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000373146988 446057606 /nfs/dbraw/zinc/05/76/06/446057606.db2.gz JIBCJFMVAFSTIQ-OAHLLOKOSA-N 0 3 333.388 1.573 20 5 EDBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000366227977 446094018 /nfs/dbraw/zinc/09/40/18/446094018.db2.gz VSTQYLMROOXGSC-GFCCVEGCSA-N 0 3 331.419 1.373 20 5 EDBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000366230641 446095632 /nfs/dbraw/zinc/09/56/32/446095632.db2.gz RTSYFZDCZVBVOD-AWEZNQCLSA-N 0 3 325.390 1.311 20 5 EDBDHN CNC(=O)c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373295314 446150685 /nfs/dbraw/zinc/15/06/85/446150685.db2.gz VIRLYRMDWZGKDL-UHFFFAOYSA-N 0 3 343.387 1.988 20 5 EDBDHN CN1CC[C@]2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000366595437 446274763 /nfs/dbraw/zinc/27/47/63/446274763.db2.gz KQOGOJZZXMJYFR-KRWDZBQOSA-N 0 3 333.388 1.918 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cnn(CCN2CCCCC2)c1 ZINC000362325182 446320653 /nfs/dbraw/zinc/32/06/53/446320653.db2.gz HHRDEQHJVFDJQN-UHFFFAOYSA-N 0 3 347.379 1.112 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000374831166 446410941 /nfs/dbraw/zinc/41/09/41/446410941.db2.gz WXTOVCFWYLSIED-OCCSQVGLSA-N 0 3 349.387 1.587 20 5 EDBDHN C[C@]1(F)CNCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420324751 446491962 /nfs/dbraw/zinc/49/19/62/446491962.db2.gz CKOFBNQYNHWRRV-ZBFHGGJFSA-N 0 3 336.367 1.334 20 5 EDBDHN C[C@@H]1OCC[C@H]1N(CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411665964 446638969 /nfs/dbraw/zinc/63/89/69/446638969.db2.gz UIFYHPAEJZBSIY-SWLSCSKDSA-N 0 3 337.376 1.395 20 5 EDBDHN O=C(N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C12CCCN1CCC2 ZINC000368123568 446654684 /nfs/dbraw/zinc/65/46/84/446654684.db2.gz MAZYIWNKEJWAFM-ZDUSSCGKSA-N 0 3 333.392 1.583 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCO[C@H]2CCC[C@H]21 ZINC000376864416 446762757 /nfs/dbraw/zinc/76/27/57/446762757.db2.gz NIRUPWMPNPPDEH-FMKPAKJESA-N 0 3 336.388 1.978 20 5 EDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371352495 446799960 /nfs/dbraw/zinc/79/99/60/446799960.db2.gz XPWIBRCPRMGVQF-HOCLYGCPSA-N 0 3 333.436 1.760 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](O)CC23CCC3)c1 ZINC000420993681 446970812 /nfs/dbraw/zinc/97/08/12/446970812.db2.gz MCICOTZEJXXLKY-LSDHHAIUSA-N 0 3 336.388 1.714 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c2nonc21 ZINC000375772645 447036285 /nfs/dbraw/zinc/03/62/85/447036285.db2.gz KDNNWJKQVCHXHY-MFKMUULPSA-N 0 3 333.348 1.166 20 5 EDBDHN O=C1Nc2ccccc2[C@]12CCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000368792176 447108701 /nfs/dbraw/zinc/10/87/01/447108701.db2.gz NXARSKDKBKARSQ-MRXNPFEDSA-N 0 3 327.344 1.387 20 5 EDBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444633825 447111598 /nfs/dbraw/zinc/11/15/98/447111598.db2.gz FCJNIMWIWPRHLW-GHMZBOCLSA-N 0 3 331.376 1.960 20 5 EDBDHN COc1cc(CN2CCN(CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000444675537 447118624 /nfs/dbraw/zinc/11/86/24/447118624.db2.gz RNXNZXHPESCKQB-CYBMUJFWSA-N 0 3 337.420 1.880 20 5 EDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377482025 447153726 /nfs/dbraw/zinc/15/37/26/447153726.db2.gz RKAIGYCHEGEAQS-YCZSJOHXSA-N 0 3 331.372 1.587 20 5 EDBDHN Nc1c(C(=O)NC[C@@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000375981862 447189878 /nfs/dbraw/zinc/18/98/78/447189878.db2.gz YQBXUXJCHZOBOX-AWEZNQCLSA-N 0 3 326.356 1.794 20 5 EDBDHN CNC(=O)c1ccc(NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000450589940 447532374 /nfs/dbraw/zinc/53/23/74/447532374.db2.gz DCNSMHPEXNLMHS-CYBMUJFWSA-N 0 3 336.392 1.213 20 5 EDBDHN COC[C@@]1(CO)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451939504 447792566 /nfs/dbraw/zinc/79/25/66/447792566.db2.gz WQGWGWMTPWFRCA-INIZCTEOSA-N 0 3 337.376 1.254 20 5 EDBDHN CNc1nccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000569865994 447907893 /nfs/dbraw/zinc/90/78/93/447907893.db2.gz YWOUYXUPUCICKZ-MBNYWOFBSA-N 0 3 347.419 1.834 20 5 EDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000553163298 447976540 /nfs/dbraw/zinc/97/65/40/447976540.db2.gz MMAHQVGBVQXURB-NEPJUHHUSA-N 0 3 333.392 1.730 20 5 EDBDHN CN(C)C1(CN(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCC1 ZINC000527113903 448161670 /nfs/dbraw/zinc/16/16/70/448161670.db2.gz NXFAFCLJBORXJP-UHFFFAOYSA-N 0 3 349.387 1.922 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000577952323 448424493 /nfs/dbraw/zinc/42/44/93/448424493.db2.gz DBQMDUKOSXAVQM-SFYZADRCSA-N 0 3 335.357 1.147 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000591734445 448475931 /nfs/dbraw/zinc/47/59/31/448475931.db2.gz YMXQMAQOZCSYJE-ZACQAIPSSA-N 0 3 346.387 1.662 20 5 EDBDHN CCN1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000572946106 448501205 /nfs/dbraw/zinc/50/12/05/448501205.db2.gz CGVJYIVTKLMRRH-UHFFFAOYSA-N 0 3 348.447 1.959 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H](C)S(C)(=O)=O ZINC000537940613 448574564 /nfs/dbraw/zinc/57/45/64/448574564.db2.gz QJWIVUDVZDSXLV-GHMZBOCLSA-N 0 3 343.405 1.335 20 5 EDBDHN COc1cc(C(=O)NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1F ZINC000573891167 448736294 /nfs/dbraw/zinc/73/62/94/448736294.db2.gz BJEWHIIEOAKFND-SNVBAGLBSA-N 0 3 325.340 1.814 20 5 EDBDHN N[C@@H]1C[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O ZINC000579252683 448754350 /nfs/dbraw/zinc/75/43/50/448754350.db2.gz AHMNVTQQINTNLN-VHSXEESVSA-N 0 3 344.293 1.362 20 5 EDBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000592431292 448832767 /nfs/dbraw/zinc/83/27/67/448832767.db2.gz QHGHNNQARJRLHM-UFBFGSQYSA-N 0 3 335.282 1.825 20 5 EDBDHN COC(=O)[C@H]1CNCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592434718 448835328 /nfs/dbraw/zinc/83/53/28/448835328.db2.gz NQGVMUNSDQZNEG-CYBMUJFWSA-N 0 3 327.768 1.585 20 5 EDBDHN CCc1cc(N[C@H](CO)CN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000589101780 448968705 /nfs/dbraw/zinc/96/87/05/448968705.db2.gz KTLUJIVXBDHJCE-AWEZNQCLSA-N 0 3 345.403 1.371 20 5 EDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CN(C)C(C)C ZINC000589296767 449004288 /nfs/dbraw/zinc/00/42/88/449004288.db2.gz LGJUNMBGEHJIGB-LLVKDONJSA-N 0 3 345.421 1.610 20 5 EDBDHN Cc1ccc(C(=O)N2CCOC3(CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000592899511 449043484 /nfs/dbraw/zinc/04/34/84/449043484.db2.gz UTZCIHSVKRNUKZ-UHFFFAOYSA-N 0 3 333.388 1.840 20 5 EDBDHN CN1C[C@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590012333 449096691 /nfs/dbraw/zinc/09/66/91/449096691.db2.gz RDVYURBWYKIDIO-YGRLFVJLSA-N 0 3 338.795 1.823 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCCCN1CCO ZINC000593732625 449167630 /nfs/dbraw/zinc/16/76/30/449167630.db2.gz PLYLXIIBSRFWLJ-CQSZACIVSA-N 0 3 339.367 1.239 20 5 EDBDHN COc1cc(CNCC[C@]2(O)CCCOC2)c([N+](=O)[O-])cc1OC ZINC000593690960 449149266 /nfs/dbraw/zinc/14/92/66/449149266.db2.gz DFXHYTSSLKSULT-MRXNPFEDSA-N 0 3 340.376 1.633 20 5 EDBDHN Cc1c(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000590402482 449149822 /nfs/dbraw/zinc/14/98/22/449149822.db2.gz UVVAYQJCOPDOKL-HZPDHXFCSA-N 0 3 333.388 1.838 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)c1C ZINC000590589870 449205113 /nfs/dbraw/zinc/20/51/13/449205113.db2.gz RUCBWKMKKGKVBA-CHWSQXEVSA-N 0 3 341.433 1.925 20 5 EDBDHN CN(c1ccccc1)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595829144 449192095 /nfs/dbraw/zinc/19/20/95/449192095.db2.gz WWANDUPMLVFZCQ-WBVHZDCISA-N 0 3 345.403 1.363 20 5 EDBDHN COC[C@](C)(O)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590654875 449232886 /nfs/dbraw/zinc/23/28/86/449232886.db2.gz SVSKPKOKUJPLPS-OAHLLOKOSA-N 0 3 326.349 1.243 20 5 EDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593551251 449341660 /nfs/dbraw/zinc/34/16/60/449341660.db2.gz AYGQQMLLNRYCDI-LBPRGKRZSA-N 0 3 328.394 1.095 20 5 EDBDHN CS[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000593562637 449351848 /nfs/dbraw/zinc/35/18/48/449351848.db2.gz WBMOBFSVSSCFDJ-KBPBESRZSA-N 0 3 341.408 1.780 20 5 EDBDHN CC(C)(NC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000602112451 449354782 /nfs/dbraw/zinc/35/47/82/449354782.db2.gz HULLVSNRSZKDLF-LSDHHAIUSA-N 0 3 333.388 1.809 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCN1CCC(O)CC1 ZINC000596084572 449355050 /nfs/dbraw/zinc/35/50/50/449355050.db2.gz CAHAYLQFROUISP-UHFFFAOYSA-N 0 3 336.392 1.213 20 5 EDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC2(CNC2)C1 ZINC000596099017 449360419 /nfs/dbraw/zinc/36/04/19/449360419.db2.gz WRUUQPMSGKKGAD-NSHDSACASA-N 0 3 337.401 1.276 20 5 EDBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593536673 449332285 /nfs/dbraw/zinc/33/22/85/449332285.db2.gz GKMGWNRMDTXROZ-UHFFFAOYSA-N 0 3 342.421 1.485 20 5 EDBDHN CC[C@@H](C(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000600540242 449431321 /nfs/dbraw/zinc/43/13/21/449431321.db2.gz FYGHEVHXXUCQIP-BBRMVZONSA-N 0 3 337.376 1.439 20 5 EDBDHN COC1CCN(CCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611705656 449389051 /nfs/dbraw/zinc/38/90/51/449389051.db2.gz ALEKZVIJVHUVLS-UHFFFAOYSA-N 0 3 331.376 2.061 20 5 EDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598536619 449453435 /nfs/dbraw/zinc/45/34/35/449453435.db2.gz UMZDRXBKZMGZMU-AWEZNQCLSA-N 0 3 348.403 1.705 20 5 EDBDHN CO[C@@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000600662259 449478667 /nfs/dbraw/zinc/47/86/67/449478667.db2.gz IIAPZWWPCBPKBB-VHDGCEQUSA-N 0 3 336.392 1.637 20 5 EDBDHN [NH3+]Cc1cc(=O)[n-]c(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000596653915 449588874 /nfs/dbraw/zinc/58/88/74/449588874.db2.gz MIJADQGKNKBSEM-CQSZACIVSA-N 0 3 329.360 1.716 20 5 EDBDHN CC(C)(CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000602474804 449619200 /nfs/dbraw/zinc/61/92/00/449619200.db2.gz SHAHKDDHISWDCB-AWEZNQCLSA-N 0 3 349.435 1.587 20 5 EDBDHN O=C(N1CCOC2(CNC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602531461 449654583 /nfs/dbraw/zinc/65/45/83/449654583.db2.gz WALIHESSBDMSRZ-UHFFFAOYSA-N 0 3 331.372 1.217 20 5 EDBDHN Cc1cncc(CCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000594731951 449655546 /nfs/dbraw/zinc/65/55/46/449655546.db2.gz HORXIPUWWVMNOA-CQSZACIVSA-N 0 3 332.360 1.265 20 5 EDBDHN Cc1cncc(CCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000594733040 449656662 /nfs/dbraw/zinc/65/66/62/449656662.db2.gz PPIUXUAUUGUVNL-HNNXBMFYSA-N 0 3 332.360 1.265 20 5 EDBDHN COCCCN1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601031282 449664095 /nfs/dbraw/zinc/66/40/95/449664095.db2.gz GWSDIRLYLWLIJL-UHFFFAOYSA-N 0 3 339.367 1.965 20 5 EDBDHN CN(C)C(=O)CCN1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601116063 449697904 /nfs/dbraw/zinc/69/79/04/449697904.db2.gz NKATXSSLNQMAON-UHFFFAOYSA-N 0 3 339.371 1.484 20 5 EDBDHN CN(CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)F ZINC000599021912 449701249 /nfs/dbraw/zinc/70/12/49/449701249.db2.gz GGPFQKUFUBSXOP-UHFFFAOYSA-N 0 3 331.319 1.653 20 5 EDBDHN CS(=O)(=O)N1CCCC[C@@H]1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000602657544 449734371 /nfs/dbraw/zinc/73/43/71/449734371.db2.gz ZTVCLGCBURLWLA-OAHLLOKOSA-N 0 3 341.433 1.541 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105838 449692179 /nfs/dbraw/zinc/69/21/79/449692179.db2.gz ODWPCFILGHSFIS-LBPRGKRZSA-N 0 3 325.388 1.814 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601189077 449741107 /nfs/dbraw/zinc/74/11/07/449741107.db2.gz FICXPMIDEJOLLA-MRXNPFEDSA-N 0 3 347.415 1.806 20 5 EDBDHN Cc1cccc(CC2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000612676859 449829344 /nfs/dbraw/zinc/82/93/44/449829344.db2.gz ILTICDWHGUCAQR-QGZVFWFLSA-N 0 3 330.388 1.635 20 5 EDBDHN CC[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601328776 449837218 /nfs/dbraw/zinc/83/72/18/449837218.db2.gz YVMXRGFXXOUZNQ-NSHDSACASA-N 0 3 347.462 1.975 20 5 EDBDHN CC[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601328776 449837223 /nfs/dbraw/zinc/83/72/23/449837223.db2.gz YVMXRGFXXOUZNQ-NSHDSACASA-N 0 3 347.462 1.975 20 5 EDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000602905689 449911192 /nfs/dbraw/zinc/91/11/92/449911192.db2.gz FYJYQQQKCHLENZ-HNNXBMFYSA-N 0 3 337.424 1.367 20 5 EDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000610238334 450158275 /nfs/dbraw/zinc/15/82/75/450158275.db2.gz NXMURSSVLZQYLD-UHFFFAOYSA-N 0 3 326.356 1.881 20 5 EDBDHN O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461885 450158697 /nfs/dbraw/zinc/15/86/97/450158697.db2.gz QKHSUJXOOVNXIA-BPLDGKMQSA-N 0 3 347.419 1.876 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000597694512 450202642 /nfs/dbraw/zinc/20/26/42/450202642.db2.gz KSPZWQPJNSQBDZ-LSDHHAIUSA-N 0 3 349.387 1.539 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000597694510 450203101 /nfs/dbraw/zinc/20/31/01/450203101.db2.gz KSPZWQPJNSQBDZ-GJZGRUSLSA-N 0 3 349.387 1.539 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)N1CCN(C)CC1 ZINC000615720663 450210729 /nfs/dbraw/zinc/21/07/29/450210729.db2.gz ISWKSBSQKJGWMN-UVTDQMKNSA-N 0 3 332.404 1.362 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCN([C@@H]4CCC[C@@H]4O)CC3)nc2c1 ZINC000618584710 450252718 /nfs/dbraw/zinc/25/27/18/450252718.db2.gz HFPWOVDQBVEURB-CABCVRRESA-N 0 3 331.376 1.507 20 5 EDBDHN CC(C)(C(=O)NCC1CCN(CCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000342972944 534325154 /nfs/dbraw/zinc/32/51/54/534325154.db2.gz AHBVGWNYJQODGW-UHFFFAOYSA-N 0 3 349.431 1.693 20 5 EDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000173988839 528259645 /nfs/dbraw/zinc/25/96/45/528259645.db2.gz URMOPFVCPWKVOB-SNVBAGLBSA-N 0 3 333.435 1.761 20 5 EDBDHN CO[C@@H]1C[C@@H](CN2CCCC2)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000347908505 536783024 /nfs/dbraw/zinc/78/30/24/536783024.db2.gz WMLIGLKZSQKLGZ-UONOGXRCSA-N 0 3 348.403 1.383 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCN1C ZINC000741725727 579426154 /nfs/dbraw/zinc/42/61/54/579426154.db2.gz SIWRMNAWNGYFIG-WCQYABFASA-N 0 3 335.360 1.385 20 5 EDBDHN CNC(=O)c1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678774 578678494 /nfs/dbraw/zinc/67/84/94/578678494.db2.gz PJIVYKMEYOHKOK-INIZCTEOSA-N 0 3 329.356 1.778 20 5 EDBDHN CC(C)[C@H](CN(C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000733168090 578745743 /nfs/dbraw/zinc/74/57/43/578745743.db2.gz REWXUAKIKHAGII-ZDUSSCGKSA-N 0 3 346.391 1.492 20 5 EDBDHN C[C@@H]1CCCN1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000744348267 579508035 /nfs/dbraw/zinc/50/80/35/579508035.db2.gz GENHALZTWGZLKF-GFCCVEGCSA-N 0 3 344.375 1.390 20 5 EDBDHN CC(C)CN1CCO[C@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754250431 579899361 /nfs/dbraw/zinc/89/93/61/579899361.db2.gz HPLUTTVNVIWLKO-IAGOWNOFSA-N 0 3 337.420 1.575 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H]2CN2CCOCC2)cc1 ZINC000776589466 580422839 /nfs/dbraw/zinc/42/28/39/580422839.db2.gz SLQINZMTYBAREK-DLBZAZTESA-N 0 3 335.404 1.425 20 5 EDBDHN CCCCS(=O)(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813112521 590841689 /nfs/dbraw/zinc/84/16/89/590841689.db2.gz HNNZPWNSTQQBKE-NSHDSACASA-N 0 3 336.410 1.037 20 5 EDBDHN CS[C@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000893001862 591251716 /nfs/dbraw/zinc/25/17/16/591251716.db2.gz PDWQTIORYVINRW-STQMWFEESA-N 0 3 326.378 1.985 20 5 EDBDHN COC[C@H]1CNCCN1c1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000900451902 592021268 /nfs/dbraw/zinc/02/12/68/592021268.db2.gz ZWZBUKDGFAIMAA-LLVKDONJSA-N 0 3 332.360 1.576 20 5 EDBDHN O=[N+]([O-])c1cccc(Cl)c1CCc1nc(N2CCNCC2)no1 ZINC000904740559 592320389 /nfs/dbraw/zinc/32/03/89/592320389.db2.gz KOJAQQLQFZADPB-UHFFFAOYSA-N 0 3 337.767 1.826 20 5 EDBDHN O=C(NCCCNCC[N+](=O)[O-])c1cccc(Br)c1 ZINC000905078010 592387166 /nfs/dbraw/zinc/38/71/66/592387166.db2.gz BFCRFHZAKDZNLT-UHFFFAOYSA-N 0 3 330.182 1.435 20 5 EDBDHN O=[N+]([O-])CCNCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000905190110 592445652 /nfs/dbraw/zinc/44/56/52/592445652.db2.gz WQOIOCXEYYYTHJ-UHFFFAOYSA-N 0 3 345.396 1.235 20 5 EDBDHN CN1C[C@@H]2CCN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)[C@@H]2C1 ZINC000908346731 592455081 /nfs/dbraw/zinc/45/50/81/592455081.db2.gz HTYUNCMBMSSOML-WCQYABFASA-N 0 3 347.371 1.532 20 5 EDBDHN C[C@H]1[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000905541934 592557185 /nfs/dbraw/zinc/55/71/85/592557185.db2.gz SKKRYTXLZWFMNB-SMDDNHRTSA-N 0 3 327.406 1.051 20 5 EDBDHN CC(=O)NCC[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805821971 593148434 /nfs/dbraw/zinc/14/84/34/593148434.db2.gz HINDTUOYSFXABY-RHSMWYFYSA-N 0 3 335.404 1.866 20 5 EDBDHN CN1C[C@H]2CCN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000839607262 593348885 /nfs/dbraw/zinc/34/88/85/593348885.db2.gz VKEFTHYONNPBLK-QMTHXVAHSA-N 0 3 338.795 1.823 20 5 EDBDHN CN1CC[C@](O)(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809916326 593372385 /nfs/dbraw/zinc/37/23/85/593372385.db2.gz ZHHVCEMNNMISIK-ZDUSSCGKSA-N 0 3 328.756 1.436 20 5 EDBDHN CC(COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)[N+](=O)[O-] ZINC000813109439 593518068 /nfs/dbraw/zinc/51/80/68/593518068.db2.gz SKILAOPXTUKTNN-VHSXEESVSA-N 0 3 348.402 1.110 20 5 EDBDHN CC(COC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813113653 593518870 /nfs/dbraw/zinc/51/88/70/593518870.db2.gz HJNSOIBXVNZNJS-NVDWLVSRSA-N 0 3 328.346 1.280 20 5 EDBDHN CC(COC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)[N+](=O)[O-] ZINC000813115145 593518920 /nfs/dbraw/zinc/51/89/20/593518920.db2.gz LDLCJFYQTAVPCH-SECBINFHSA-N 0 3 347.776 1.855 20 5 EDBDHN CS(=O)(=O)CC1(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819130625 593740598 /nfs/dbraw/zinc/74/05/98/593740598.db2.gz CZEKJTDPSAYDDT-CYBMUJFWSA-N 0 3 328.390 1.043 20 5 EDBDHN C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820750315 593879196 /nfs/dbraw/zinc/87/91/96/593879196.db2.gz ATOLSXOJALAEEQ-XPTSAGLGSA-N 0 3 329.364 1.670 20 5 EDBDHN C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820750315 593879199 /nfs/dbraw/zinc/87/91/99/593879199.db2.gz ATOLSXOJALAEEQ-XPTSAGLGSA-N 0 3 329.364 1.670 20 5 EDBDHN C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820750315 593879202 /nfs/dbraw/zinc/87/92/02/593879202.db2.gz ATOLSXOJALAEEQ-XPTSAGLGSA-N 0 3 329.364 1.670 20 5 EDBDHN C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820750315 593879204 /nfs/dbraw/zinc/87/92/04/593879204.db2.gz ATOLSXOJALAEEQ-XPTSAGLGSA-N 0 3 329.364 1.670 20 5 EDBDHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820753567 593882228 /nfs/dbraw/zinc/88/22/28/593882228.db2.gz ZHSIVCHFSHWZGA-SKDRFNHKSA-N 0 3 332.368 1.311 20 5 EDBDHN CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820753567 593882230 /nfs/dbraw/zinc/88/22/30/593882230.db2.gz ZHSIVCHFSHWZGA-SKDRFNHKSA-N 0 3 332.368 1.311 20 5 EDBDHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820753567 593882232 /nfs/dbraw/zinc/88/22/32/593882232.db2.gz ZHSIVCHFSHWZGA-SKDRFNHKSA-N 0 3 332.368 1.311 20 5 EDBDHN CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820753567 593882233 /nfs/dbraw/zinc/88/22/33/593882233.db2.gz ZHSIVCHFSHWZGA-SKDRFNHKSA-N 0 3 332.368 1.311 20 5 EDBDHN Nc1ccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000823921534 593888473 /nfs/dbraw/zinc/88/84/73/593888473.db2.gz XGLDPZBIIFKKKC-CYBMUJFWSA-N 0 3 349.391 1.552 20 5 EDBDHN O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821057155 593955500 /nfs/dbraw/zinc/95/55/00/593955500.db2.gz MVDNKFKVAPRJNV-HYVNUMGLSA-N 0 3 347.415 1.661 20 5 EDBDHN CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821088822 593963228 /nfs/dbraw/zinc/96/32/28/593963228.db2.gz XQFOLQXUVHCVJK-GFCCVEGCSA-N 0 3 345.407 1.943 20 5 EDBDHN CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821088822 593963232 /nfs/dbraw/zinc/96/32/32/593963232.db2.gz XQFOLQXUVHCVJK-GFCCVEGCSA-N 0 3 345.407 1.943 20 5 EDBDHN CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821088822 593963235 /nfs/dbraw/zinc/96/32/35/593963235.db2.gz XQFOLQXUVHCVJK-GFCCVEGCSA-N 0 3 345.407 1.943 20 5 EDBDHN CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821088822 593963237 /nfs/dbraw/zinc/96/32/37/593963237.db2.gz XQFOLQXUVHCVJK-GFCCVEGCSA-N 0 3 345.407 1.943 20 5 EDBDHN CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821268126 594003828 /nfs/dbraw/zinc/00/38/28/594003828.db2.gz UDFQYDIVDFBQOI-GFCCVEGCSA-N 0 3 331.380 1.695 20 5 EDBDHN CC[N@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821268126 594003830 /nfs/dbraw/zinc/00/38/30/594003830.db2.gz UDFQYDIVDFBQOI-GFCCVEGCSA-N 0 3 331.380 1.695 20 5 EDBDHN CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821268126 594003833 /nfs/dbraw/zinc/00/38/33/594003833.db2.gz UDFQYDIVDFBQOI-GFCCVEGCSA-N 0 3 331.380 1.695 20 5 EDBDHN CC[N@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821268126 594003836 /nfs/dbraw/zinc/00/38/36/594003836.db2.gz UDFQYDIVDFBQOI-GFCCVEGCSA-N 0 3 331.380 1.695 20 5 EDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@@H]1CCCN1C ZINC000823309978 594183619 /nfs/dbraw/zinc/18/36/19/594183619.db2.gz FGRPJMOQUMNDTA-JTQLQIEISA-N 0 3 338.339 1.516 20 5 EDBDHN CN(C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2F)CCSC1 ZINC000829626509 594227154 /nfs/dbraw/zinc/22/71/54/594227154.db2.gz OEOUXWNZEGZCEF-AWEZNQCLSA-N 0 3 327.381 1.901 20 5 EDBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000826226568 594387068 /nfs/dbraw/zinc/38/70/68/594387068.db2.gz BRDGTIXFRJRTFJ-STQMWFEESA-N 0 3 349.420 1.257 20 5 EDBDHN COCCN1[C@H](C)CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1C ZINC000826629437 594543150 /nfs/dbraw/zinc/54/31/50/594543150.db2.gz RONJVDAOJFKNMG-PHIMTYICSA-N 0 3 335.364 1.676 20 5 EDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832400669 594747681 /nfs/dbraw/zinc/74/76/81/594747681.db2.gz MPMYTRKKUMGDQN-KCXAZCMYSA-N 0 3 333.388 1.713 20 5 EDBDHN C[C@@H](CN1CCCC1)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000845672310 595041460 /nfs/dbraw/zinc/04/14/60/595041460.db2.gz OSOJWVYTCXCTOI-ZDUSSCGKSA-N 0 3 349.387 1.742 20 5 EDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(CCN(C)C)CC1 ZINC000843755900 595179084 /nfs/dbraw/zinc/17/90/84/595179084.db2.gz SEJOPKCCECZJNY-UHFFFAOYSA-N 0 3 338.383 1.362 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000843066310 595279012 /nfs/dbraw/zinc/27/90/12/595279012.db2.gz UTCOUWUZAXVLFV-WBVHZDCISA-N 0 3 346.387 1.484 20 5 EDBDHN Cc1ccc([C@H](O)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000843084957 595283350 /nfs/dbraw/zinc/28/33/50/595283350.db2.gz DYDAWMVMNRMGFC-UKRRQHHQSA-N 0 3 336.344 1.559 20 5 EDBDHN [NH3+]C[C@@H]1CC[C@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857765443 595599704 /nfs/dbraw/zinc/59/97/04/595599704.db2.gz GRMYRAYMJNOFPL-ZJUUUORDSA-N 0 3 329.303 1.810 20 5 EDBDHN CC(C)(C)N1CC[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000855289377 595662843 /nfs/dbraw/zinc/66/28/43/595662843.db2.gz QGBBOKUOINQFEF-CYBMUJFWSA-N 0 3 349.387 1.775 20 5 EDBDHN COc1cc(C(=O)OC[C@@]2(C)C[C@@H](OC)CN2C)ccc1[N+](=O)[O-] ZINC000861345943 595952882 /nfs/dbraw/zinc/95/28/82/595952882.db2.gz ZMAHTWZZBKFNNQ-MLGOLLRUSA-N 0 3 338.360 1.869 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@]12COC(=O)N1CCOC2 ZINC000866524721 596241666 /nfs/dbraw/zinc/24/16/66/596241666.db2.gz LYGXUGOEQWLNJM-WBMJQRKESA-N 0 3 335.360 1.775 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCN2C)C1 ZINC000867813724 596565493 /nfs/dbraw/zinc/56/54/93/596565493.db2.gz YMTIXLLBFVGXQU-JSGCOSHPSA-N 0 3 339.417 1.618 20 5 EDBDHN CN1CCC(N2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000863499554 596600619 /nfs/dbraw/zinc/60/06/19/596600619.db2.gz CJTGXZLKZBDUDX-INIZCTEOSA-N 0 3 332.360 1.456 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2CC3(CO2)CCOCC3)c1 ZINC000872231783 596847002 /nfs/dbraw/zinc/84/70/02/596847002.db2.gz RWXWERHZRNSFMZ-CVEARBPZSA-N 0 3 336.388 1.804 20 5 EDBDHN Cc1cc(S(=O)(=O)NC[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1F ZINC000154295023 696953412 /nfs/dbraw/zinc/95/34/12/696953412.db2.gz RXZLMSBIGQLAFI-LLVKDONJSA-N 0 3 345.396 1.662 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)C2(C)CC=CC2)CC1 ZINC000996948538 703217956 /nfs/dbraw/zinc/21/79/56/703217956.db2.gz UZLFUVFGZORBLV-UHFFFAOYSA-N 0 3 347.419 1.765 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC[C@H](C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000101573146 219140090 /nfs/dbraw/zinc/14/00/90/219140090.db2.gz OWIGIUHYWSKHON-ZDUSSCGKSA-N 0 3 341.433 1.913 20 5 EDBDHN CNS(=O)(=O)CCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000187195934 530018607 /nfs/dbraw/zinc/01/86/07/530018607.db2.gz SLQVTEWTVJIOFA-CYBMUJFWSA-N 0 3 327.406 1.055 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000066223915 215024569 /nfs/dbraw/zinc/02/45/69/215024569.db2.gz ZVOKLTAHEJNHRZ-CQSZACIVSA-N 0 3 332.360 1.230 20 5 EDBDHN CC(C)Oc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000562449787 306299049 /nfs/dbraw/zinc/29/90/49/306299049.db2.gz GKLQDFKXIMZZAE-HNNXBMFYSA-N 0 3 334.376 1.729 20 5 EDBDHN CCN1CC[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000412836898 304039708 /nfs/dbraw/zinc/03/97/08/304039708.db2.gz JDQUIKVXTDTWSN-LBPRGKRZSA-N 0 3 329.360 1.605 20 5 EDBDHN COC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183451341 235085848 /nfs/dbraw/zinc/08/58/48/235085848.db2.gz VKBCCXIRLGPQHZ-CQSZACIVSA-N 0 3 328.390 1.383 20 5 EDBDHN CCOC(=O)c1ccnc(N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000077963264 138256012 /nfs/dbraw/zinc/25/60/12/138256012.db2.gz YKMWZWBCIVBQJQ-LBPRGKRZSA-N 0 3 334.376 1.841 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC([NH3+])CC1 ZINC000237205342 139044014 /nfs/dbraw/zinc/04/40/14/139044014.db2.gz BQPXSKSCSRCAIL-UHFFFAOYSA-N 0 3 329.378 1.152 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237325210 139048029 /nfs/dbraw/zinc/04/80/29/139048029.db2.gz BKHWRXZAUZCEHU-ZYHUDNBSSA-N 0 3 343.405 1.399 20 5 EDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000173988342 284783420 /nfs/dbraw/zinc/78/34/20/284783420.db2.gz HUZQUJPEZKOTOF-GFCCVEGCSA-N 0 3 327.406 1.700 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000415821047 251030841 /nfs/dbraw/zinc/03/08/41/251030841.db2.gz FCVAOEZYZXHEAQ-CQSZACIVSA-N 0 3 334.376 1.475 20 5 EDBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CNCCO1 ZINC000417731710 251246086 /nfs/dbraw/zinc/24/60/86/251246086.db2.gz SEGMZOYHKRZBFQ-HNNXBMFYSA-N 0 3 336.392 1.205 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N2C[C@H]3CCC[C@@H](C2)N3)c([N+](=O)[O-])c1 ZINC000420351914 251693867 /nfs/dbraw/zinc/69/38/67/251693867.db2.gz YJBNQUJEMGVGFY-RWMBFGLXSA-N 0 3 348.403 1.757 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420435994 251720598 /nfs/dbraw/zinc/72/05/98/251720598.db2.gz ADFRJSGCZUYUIL-NSHDSACASA-N 0 3 343.405 1.414 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492208421 255162251 /nfs/dbraw/zinc/16/22/51/255162251.db2.gz OCJADJCMZBONCE-PKYBCLHXSA-N 0 3 325.340 1.176 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000493828051 255223240 /nfs/dbraw/zinc/22/32/40/255223240.db2.gz UGYGDWZXIYWGLI-NHQLZKDQSA-N 0 3 341.371 1.295 20 5 EDBDHN CCN1CCC(n2nccc2NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000263867368 139365896 /nfs/dbraw/zinc/36/58/96/139365896.db2.gz GURWJSNKBKASCS-UHFFFAOYSA-N 0 3 347.379 1.283 20 5 EDBDHN C[C@H]1OCC[C@@]1(C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000494269671 255243755 /nfs/dbraw/zinc/24/37/55/255243755.db2.gz AMFNMZGMEZVESM-RFAUZJTJSA-N 0 3 337.332 1.419 20 5 EDBDHN CC(COC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000496094131 255351746 /nfs/dbraw/zinc/35/17/46/255351746.db2.gz PSGMOBOBFZEDBN-GXTWGEPZSA-N 0 3 336.344 1.854 20 5 EDBDHN CC(COC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496000517 255339472 /nfs/dbraw/zinc/33/94/72/255339472.db2.gz AVMJRYAGVYTSMO-GHMZBOCLSA-N 0 3 348.421 1.937 20 5 EDBDHN Cc1c(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)cccc1[N+](=O)[O-] ZINC000118102547 221118018 /nfs/dbraw/zinc/11/80/18/221118018.db2.gz YVRDMTUKWTVAQJ-CQSZACIVSA-N 0 3 334.376 1.298 20 5 EDBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270489164 140109843 /nfs/dbraw/zinc/10/98/43/140109843.db2.gz UFRVSNPBKHQMKC-GUYCJALGSA-N 0 3 349.387 1.905 20 5 EDBDHN COCCn1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000337383109 141583794 /nfs/dbraw/zinc/58/37/94/141583794.db2.gz DUXCLNPSOLQKMX-HUUCEWRRSA-N 0 3 348.407 1.908 20 5 EDBDHN CCCN(CCN(C)C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000344818824 143015581 /nfs/dbraw/zinc/01/55/81/143015581.db2.gz AFYNSODMEILZGN-UHFFFAOYSA-N 0 3 339.392 1.782 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC(=O)N1CCOCC1 ZINC000344834610 143017735 /nfs/dbraw/zinc/01/77/35/143017735.db2.gz FPKJAPAZEUDPPH-SDNWHVSQSA-N 0 3 333.388 1.837 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000345874593 143142078 /nfs/dbraw/zinc/14/20/78/143142078.db2.gz LVASULJVLATMMJ-ZLKJLUDKSA-N 0 3 334.376 1.426 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000345879013 143142533 /nfs/dbraw/zinc/14/25/33/143142533.db2.gz HBFYWMFKJRYKLK-IJLUTSLNSA-N 0 3 334.376 1.426 20 5 EDBDHN COc1cc(CN(C)CCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000352780266 149162079 /nfs/dbraw/zinc/16/20/79/149162079.db2.gz SPXYULGDCXFHIK-UHFFFAOYSA-N 0 3 336.436 1.673 20 5 EDBDHN COC(=O)COc1ccc(CNCCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000353221722 149329182 /nfs/dbraw/zinc/32/91/82/149329182.db2.gz PPZAGHZZEPZBSP-UHFFFAOYSA-N 0 3 334.332 1.202 20 5 EDBDHN COC(=O)COc1ccc(CNCCN2CCCC2)cc1[N+](=O)[O-] ZINC000353763728 149517694 /nfs/dbraw/zinc/51/76/94/149517694.db2.gz XHVBGSLMOMGRRV-UHFFFAOYSA-N 0 3 337.376 1.332 20 5 EDBDHN CCN1CCC(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000357997360 151228107 /nfs/dbraw/zinc/22/81/07/151228107.db2.gz ZXHIXWOYXIHPTD-UHFFFAOYSA-N 0 3 348.403 1.983 20 5 EDBDHN Cc1cc(C)n([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000367139780 154019805 /nfs/dbraw/zinc/01/98/05/154019805.db2.gz LIFGTPDDYMYLBW-OAHLLOKOSA-N 0 3 345.403 1.907 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)n1 ZINC000367551240 154171574 /nfs/dbraw/zinc/17/15/74/154171574.db2.gz YNYCDGXYADYFRI-IINYFYTJSA-N 0 3 349.416 1.813 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](O)c3ccccc3C2)c1 ZINC000367932617 154331377 /nfs/dbraw/zinc/33/13/77/154331377.db2.gz QOWNWNJOVMRDTP-HOCLYGCPSA-N 0 3 332.360 1.092 20 5 EDBDHN COC(=O)[C@@]12CCC[C@@H]1CN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000371710135 156072184 /nfs/dbraw/zinc/07/21/84/156072184.db2.gz XNUUDPGKFCHIIT-MLGOLLRUSA-N 0 3 335.360 1.032 20 5 EDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c1 ZINC000371857119 156141290 /nfs/dbraw/zinc/14/12/90/156141290.db2.gz ASHHYLFEIBNWNK-ZDUSSCGKSA-N 0 3 325.390 1.454 20 5 EDBDHN O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nc[nH]n3)C2)c2c(c1)COCO2 ZINC000374540027 157322062 /nfs/dbraw/zinc/32/20/62/157322062.db2.gz BPYMGDFMYHBXRN-LLVKDONJSA-N 0 3 345.359 1.959 20 5 EDBDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000375507473 157591441 /nfs/dbraw/zinc/59/14/41/157591441.db2.gz WSQXDBZBWBKTJK-FABXCBLPSA-N 0 3 343.387 1.999 20 5 EDBDHN CN1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000111618239 287337833 /nfs/dbraw/zinc/33/78/33/287337833.db2.gz QGBLFURPWBBAFN-LLVKDONJSA-N 0 3 344.371 1.508 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000122447638 222089419 /nfs/dbraw/zinc/08/94/19/222089419.db2.gz FHIHPJZMRYZAFA-OAHLLOKOSA-N 0 3 348.447 1.527 20 5 EDBDHN Cc1nn(CCC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000124009330 222364217 /nfs/dbraw/zinc/36/42/17/222364217.db2.gz ZUAURBXINQXZSC-RISCZKNCSA-N 0 3 337.424 1.739 20 5 EDBDHN CN(Cc1cccnc1)C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000275495489 268351211 /nfs/dbraw/zinc/35/12/11/268351211.db2.gz BUKTWNFFJGUIFL-CQSZACIVSA-N 0 3 330.392 1.682 20 5 EDBDHN CCN(CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000275824342 268375118 /nfs/dbraw/zinc/37/51/18/268375118.db2.gz XJFDBSPNZDLCHU-UHFFFAOYSA-N 0 3 326.353 1.039 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(C2CCC2)CC1 ZINC000273402441 273036338 /nfs/dbraw/zinc/03/63/38/273036338.db2.gz WJGUKDPTCXWJHU-OAHLLOKOSA-N 0 3 335.404 1.505 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1N1CCCC1 ZINC000273456329 273040971 /nfs/dbraw/zinc/04/09/71/273040971.db2.gz DPMUEGCRFOFKKJ-CMPLNLGQSA-N 0 3 325.390 1.840 20 5 EDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000273539086 273042654 /nfs/dbraw/zinc/04/26/54/273042654.db2.gz SRUTZBYSOSXOBS-GFCCVEGCSA-N 0 3 338.412 1.163 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000274546828 273095161 /nfs/dbraw/zinc/09/51/61/273095161.db2.gz GOXNCCBCCISYFF-UHFFFAOYSA-N 0 3 335.389 1.766 20 5 EDBDHN COc1cc(S(=O)(=O)NCC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000275520972 273110983 /nfs/dbraw/zinc/11/09/83/273110983.db2.gz VLRUQVPAZCWOCO-UHFFFAOYSA-N 0 3 343.405 1.366 20 5 EDBDHN CNS(=O)(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000022815075 272909133 /nfs/dbraw/zinc/90/91/33/272909133.db2.gz PQAONLBWQIBJHZ-UHFFFAOYSA-N 0 3 328.394 1.011 20 5 EDBDHN CO[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000276899304 273168321 /nfs/dbraw/zinc/16/83/21/273168321.db2.gz OSILLBYYLMKSLU-GASCZTMLSA-N 0 3 337.376 1.577 20 5 EDBDHN CCN1CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277733825 273220605 /nfs/dbraw/zinc/22/06/05/273220605.db2.gz HHXPVVHAPVHQDB-UHFFFAOYSA-N 0 3 346.391 1.755 20 5 EDBDHN C[C@@H](Cn1cccn1)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265071967 274232195 /nfs/dbraw/zinc/23/21/95/274232195.db2.gz OECSVNCBANMMQS-LBPRGKRZSA-N 0 3 329.360 1.359 20 5 EDBDHN Cc1nc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000362395301 274842499 /nfs/dbraw/zinc/84/24/99/274842499.db2.gz IJEWUZJZAOQHJR-HIFRSBDPSA-N 0 3 333.436 1.760 20 5 EDBDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286722837 288070724 /nfs/dbraw/zinc/07/07/24/288070724.db2.gz NJOXBUZOVLIWMB-SWLSCSKDSA-N 0 3 339.417 1.842 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(N3CCC[C@H]3C(N)=O)CC2)n1 ZINC000360456159 281010429 /nfs/dbraw/zinc/01/04/29/281010429.db2.gz VJSLZJOBOMPLFW-ZDUSSCGKSA-N 0 3 333.392 1.217 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](n3cccn3)C2)c1 ZINC000291741788 289166936 /nfs/dbraw/zinc/16/69/36/289166936.db2.gz JZILOSXPKGRIDZ-LSDHHAIUSA-N 0 3 332.360 1.478 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000291821541 289189319 /nfs/dbraw/zinc/18/93/19/289189319.db2.gz FFSUPQRQYYMODR-HNNXBMFYSA-N 0 3 339.417 1.620 20 5 EDBDHN CN(CC(=O)N(C)[C@@H]1CN2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000361808217 289452661 /nfs/dbraw/zinc/45/26/61/289452661.db2.gz SOUUJCPJKJXOHL-MRXNPFEDSA-N 0 3 332.404 1.584 20 5 EDBDHN COc1cc(C(=O)N(C)C2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000294279284 303086290 /nfs/dbraw/zinc/08/62/90/303086290.db2.gz TUQGHQMYCYCBGZ-UHFFFAOYSA-N 0 3 325.340 1.909 20 5 EDBDHN COC(=O)Cc1ccc(N2CCO[C@H](CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000296913047 303346308 /nfs/dbraw/zinc/34/63/08/303346308.db2.gz AFMJCTIYWPJGFK-CYBMUJFWSA-N 0 3 337.376 1.077 20 5 EDBDHN CN1C(=O)NCC12CCN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000425534623 304967939 /nfs/dbraw/zinc/96/79/39/304967939.db2.gz BULUOYOGRRHQNX-UHFFFAOYSA-N 0 3 334.376 1.463 20 5 EDBDHN COCCN(Cc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441264604 305219842 /nfs/dbraw/zinc/21/98/42/305219842.db2.gz SFCYTOOOYXEYLG-CYBMUJFWSA-N 0 3 340.405 1.362 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000442144633 305226029 /nfs/dbraw/zinc/22/60/29/305226029.db2.gz IHLYAEQIZGJBDO-WCQYABFASA-N 0 3 334.376 1.441 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000442144630 305226087 /nfs/dbraw/zinc/22/60/87/305226087.db2.gz IHLYAEQIZGJBDO-DGCLKSJQSA-N 0 3 334.376 1.441 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000442144627 305226120 /nfs/dbraw/zinc/22/61/20/305226120.db2.gz IHLYAEQIZGJBDO-AAEUAGOBSA-N 0 3 334.376 1.441 20 5 EDBDHN CCO[C@@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452012825 305378294 /nfs/dbraw/zinc/37/82/94/305378294.db2.gz ILLBJXGIJPJRAI-HUUCEWRRSA-N 0 3 342.417 1.916 20 5 EDBDHN O=C(NC[C@H]1CCCCN1CCO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452370854 305394083 /nfs/dbraw/zinc/39/40/83/305394083.db2.gz GSZJSJXTCWPNSR-GFCCVEGCSA-N 0 3 346.387 1.653 20 5 EDBDHN Cc1c(CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)cccc1[N+](=O)[O-] ZINC000419762740 447399627 /nfs/dbraw/zinc/39/96/27/447399627.db2.gz SRHXJOXGOZYVRK-IAQYHMDHSA-N 0 3 348.403 1.105 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000008122578 441083283 /nfs/dbraw/zinc/08/32/83/441083283.db2.gz KYENOMIHYYGJIN-UHFFFAOYSA-N 0 3 342.355 1.961 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC[C@@H](C)N(C)C2CC2)cc([N+](=O)[O-])c1 ZINC000057721160 441131407 /nfs/dbraw/zinc/13/14/07/441131407.db2.gz DELJFNLALHXSIH-LLVKDONJSA-N 0 3 349.387 1.984 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104556558 441196942 /nfs/dbraw/zinc/19/69/42/441196942.db2.gz ABNYDJUAHMOKDM-UHFFFAOYSA-N 0 3 334.376 1.726 20 5 EDBDHN C[C@@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCC1 ZINC000073079100 441291156 /nfs/dbraw/zinc/29/11/56/441291156.db2.gz HSTBUUYRLOSSBF-LBPRGKRZSA-N 0 3 349.387 1.509 20 5 EDBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000074137638 441398604 /nfs/dbraw/zinc/39/86/04/441398604.db2.gz QEWMJSMBNXQWQM-CQSZACIVSA-N 0 3 334.420 1.137 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000108332397 441446458 /nfs/dbraw/zinc/44/64/58/441446458.db2.gz WCSRGGOJTQIMTF-LBPRGKRZSA-N 0 3 349.387 1.843 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1CN(C)C ZINC000065836351 441489098 /nfs/dbraw/zinc/48/90/98/441489098.db2.gz QEVDVCQIQJSDGV-UHFFFAOYSA-N 0 3 331.376 1.478 20 5 EDBDHN C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000111599702 441538393 /nfs/dbraw/zinc/53/83/93/441538393.db2.gz MMFZASWZROSHHB-SNVBAGLBSA-N 0 3 344.371 1.649 20 5 EDBDHN C[C@@H](O)[C@H]1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000089928078 441598229 /nfs/dbraw/zinc/59/82/29/441598229.db2.gz GSOOISFFSWQJLU-OLZOCXBDSA-N 0 3 349.387 1.986 20 5 EDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cncn2)cc1 ZINC000090538609 441633983 /nfs/dbraw/zinc/63/39/83/441633983.db2.gz MZNZYSZXHDCPCI-LBPRGKRZSA-N 0 3 327.348 1.723 20 5 EDBDHN C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000174392376 441921036 /nfs/dbraw/zinc/92/10/36/441921036.db2.gz BNOJLMCSSQZJSR-CQSZACIVSA-N 0 3 349.435 1.278 20 5 EDBDHN COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000144456637 441882831 /nfs/dbraw/zinc/88/28/31/441882831.db2.gz CLMLPHYBLHBEBO-HIFRSBDPSA-N 0 3 335.404 1.958 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000174184842 441899244 /nfs/dbraw/zinc/89/92/44/441899244.db2.gz QERAHJUATSJVGM-CQSZACIVSA-N 0 3 336.392 1.887 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000120534980 442090578 /nfs/dbraw/zinc/09/05/78/442090578.db2.gz KWURKPLPQJZXTL-OCCSQVGLSA-N 0 3 348.403 1.783 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000152117386 442167596 /nfs/dbraw/zinc/16/75/96/442167596.db2.gz OVDZLTCIMUXYPC-GFCCVEGCSA-N 0 3 331.380 1.666 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000152117386 442167597 /nfs/dbraw/zinc/16/75/97/442167597.db2.gz OVDZLTCIMUXYPC-GFCCVEGCSA-N 0 3 331.380 1.666 20 5 EDBDHN Cc1nn(CCC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000120940860 442154693 /nfs/dbraw/zinc/15/46/93/442154693.db2.gz RUCVRAFSODLENL-SMDDNHRTSA-N 0 3 337.424 1.597 20 5 EDBDHN COC(=O)[C@@H](C)[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000152074274 442161197 /nfs/dbraw/zinc/16/11/97/442161197.db2.gz PLOJCFLSZOCMQM-SWLSCSKDSA-N 0 3 332.360 1.931 20 5 EDBDHN Cc1c(C(=O)N(C)CCN(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000176384462 442216414 /nfs/dbraw/zinc/21/64/14/442216414.db2.gz MFJMZZMDVUQCOQ-UHFFFAOYSA-N 0 3 332.364 1.118 20 5 EDBDHN CCN1CCC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152846622 442247373 /nfs/dbraw/zinc/24/73/73/442247373.db2.gz WBGMGWKXFDNEAC-CQSZACIVSA-N 0 3 341.433 1.746 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCC(C)(O)CC2)c([N+](=O)[O-])c1 ZINC000177301867 442325988 /nfs/dbraw/zinc/32/59/88/442325988.db2.gz XLRAQIFVCZCYNA-UHFFFAOYSA-N 0 3 337.376 1.779 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)n1 ZINC000191608283 442475441 /nfs/dbraw/zinc/47/54/41/442475441.db2.gz HSESFZZGQIREBU-CYBMUJFWSA-N 0 3 343.387 1.944 20 5 EDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000178951085 442535776 /nfs/dbraw/zinc/53/57/76/442535776.db2.gz DNICVXYDSFOEPX-ZDUSSCGKSA-N 0 3 343.449 1.787 20 5 EDBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180389407 442592768 /nfs/dbraw/zinc/59/27/68/442592768.db2.gz GNDKAVOXQZFBIU-LLVKDONJSA-N 0 3 335.360 1.928 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc([N+](=O)[O-])c1F ZINC000192921007 442698514 /nfs/dbraw/zinc/69/85/14/442698514.db2.gz WBAVFLPSUGMVPC-PHIMTYICSA-N 0 3 343.380 1.224 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CO)c1ccccc1 ZINC000182393763 442763373 /nfs/dbraw/zinc/76/33/73/442763373.db2.gz PBSFHXXALNEMOS-HUUCEWRRSA-N 0 3 332.356 1.658 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000182965130 442856734 /nfs/dbraw/zinc/85/67/34/442856734.db2.gz MVHANBKGUDLETD-KRWDZBQOSA-N 0 3 336.436 1.198 20 5 EDBDHN COc1cc(OCC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268177629 442885654 /nfs/dbraw/zinc/88/56/54/442885654.db2.gz KWJUSRXKMHKDDL-FZMZJTMJSA-N 0 3 349.387 1.581 20 5 EDBDHN CN(C)CCN1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265773018 442915693 /nfs/dbraw/zinc/91/56/93/442915693.db2.gz IQCWAWRHIVMVSQ-UHFFFAOYSA-N 0 3 348.447 1.578 20 5 EDBDHN CCCC[C@H](COC)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000268878648 443135593 /nfs/dbraw/zinc/13/55/93/443135593.db2.gz HSBJJDRNZYPNCY-VNQPRFMTSA-N 0 3 326.393 1.784 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000262473942 443195992 /nfs/dbraw/zinc/19/59/92/443195992.db2.gz YQBNXORPNNLAQV-HNNXBMFYSA-N 0 3 343.387 1.493 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269481215 443320798 /nfs/dbraw/zinc/32/07/98/443320798.db2.gz VYZDSZJKIWWARI-UHFFFAOYSA-N 0 3 327.385 1.092 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269481215 443320804 /nfs/dbraw/zinc/32/08/04/443320804.db2.gz VYZDSZJKIWWARI-UHFFFAOYSA-N 0 3 327.385 1.092 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278461968 443339536 /nfs/dbraw/zinc/33/95/36/443339536.db2.gz MRAKQVBBTDAAQV-LBPRGKRZSA-N 0 3 332.408 1.909 20 5 EDBDHN CCS(=O)(=O)NCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000272874756 443475284 /nfs/dbraw/zinc/47/52/84/443475284.db2.gz UEXCQGWCBGFNSQ-UHFFFAOYSA-N 0 3 338.389 1.803 20 5 EDBDHN CCN1CCC(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273020876 443520458 /nfs/dbraw/zinc/52/04/58/443520458.db2.gz SWOUPSHIUPRCCM-INIZCTEOSA-N 0 3 346.387 1.688 20 5 EDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000272257262 443570702 /nfs/dbraw/zinc/57/07/02/443570702.db2.gz UMKGQSUQQKMPRE-MFKMUULPSA-N 0 3 345.396 1.613 20 5 EDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000440085165 320062387 /nfs/dbraw/zinc/06/23/87/320062387.db2.gz ZXHVVFDMYDAKDG-NSHDSACASA-N 0 3 345.421 1.612 20 5 EDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000440097071 320062790 /nfs/dbraw/zinc/06/27/90/320062790.db2.gz MIMAIWWKHMDIBI-NSHDSACASA-N 0 3 345.421 1.612 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454113647 320285357 /nfs/dbraw/zinc/28/53/57/320285357.db2.gz WGXIJRCCIACCDJ-ZDUSSCGKSA-N 0 3 348.403 1.783 20 5 EDBDHN C[C@@H](CN(C)CCn1cc([N+](=O)[O-])ccc1=O)C(=O)OC(C)(C)C ZINC000459813410 320349944 /nfs/dbraw/zinc/34/99/44/320349944.db2.gz SQLTYYVGWQJJAJ-LBPRGKRZSA-N 0 3 339.392 1.666 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(CC)C1CC1 ZINC000290938696 443716331 /nfs/dbraw/zinc/71/63/31/443716331.db2.gz ZNFZUJOLVZCBKD-UHFFFAOYSA-N 0 3 348.403 1.696 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)N1CCOCC1 ZINC000284866659 443791654 /nfs/dbraw/zinc/79/16/54/443791654.db2.gz PORIMXZCLUSVEK-UKRRQHHQSA-N 0 3 333.388 1.522 20 5 EDBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1cccs1 ZINC000298334877 443748790 /nfs/dbraw/zinc/74/87/90/443748790.db2.gz XWQROKITFDVOMI-LLVKDONJSA-N 0 3 335.389 1.865 20 5 EDBDHN COCCN1CCC(Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000276589716 443758008 /nfs/dbraw/zinc/75/80/08/443758008.db2.gz PWBDLDKBNRCBLT-UHFFFAOYSA-N 0 3 338.364 1.299 20 5 EDBDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000288312510 443841049 /nfs/dbraw/zinc/84/10/49/443841049.db2.gz XALWBMQULKFBHQ-QMMMGPOBSA-N 0 3 328.756 1.253 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])N(C)C1 ZINC000285136502 443869134 /nfs/dbraw/zinc/86/91/34/443869134.db2.gz WRDTVRSAAJGMPV-STQMWFEESA-N 0 3 336.392 1.184 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000298823752 443877813 /nfs/dbraw/zinc/87/78/13/443877813.db2.gz QPQFOJBMUOPJPP-OLZOCXBDSA-N 0 3 343.380 1.639 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000298823752 443877817 /nfs/dbraw/zinc/87/78/17/443877817.db2.gz QPQFOJBMUOPJPP-OLZOCXBDSA-N 0 3 343.380 1.639 20 5 EDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293019235 443904311 /nfs/dbraw/zinc/90/43/11/443904311.db2.gz FGQWXFHGMNWGPG-UHFFFAOYSA-N 0 3 349.309 1.922 20 5 EDBDHN CN1CCN(CCNC(=O)NCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000281850014 444022958 /nfs/dbraw/zinc/02/29/58/444022958.db2.gz NMDLCAOTZRLLCQ-UHFFFAOYSA-N 0 3 349.435 1.420 20 5 EDBDHN CSc1ccc(F)cc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566110231 321215949 /nfs/dbraw/zinc/21/59/49/321215949.db2.gz HYKXHOJERJJXHP-CYBMUJFWSA-N 0 3 340.380 1.803 20 5 EDBDHN CCN1CCC(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000571546750 321390934 /nfs/dbraw/zinc/39/09/34/321390934.db2.gz QAPPDMGGGYDXIW-UHFFFAOYSA-N 0 3 341.433 1.913 20 5 EDBDHN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)N(C)C)cc1 ZINC000301075423 444142988 /nfs/dbraw/zinc/14/29/88/444142988.db2.gz HBRBWCYQSPKRSK-GFCCVEGCSA-N 0 3 332.364 1.690 20 5 EDBDHN COCCN1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301123478 444146945 /nfs/dbraw/zinc/14/69/45/444146945.db2.gz OTJFDRJLTOZGAE-UHFFFAOYSA-N 0 3 347.375 1.766 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccncc2)CC1 ZINC000301126828 444147741 /nfs/dbraw/zinc/14/77/41/444147741.db2.gz WPZRUWGCMSORNK-UHFFFAOYSA-N 0 3 341.371 1.676 20 5 EDBDHN C[C@H](O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289622619 444182335 /nfs/dbraw/zinc/18/23/35/444182335.db2.gz WJWAZFFRBJLRTP-ZETCQYMHSA-N 0 3 336.129 1.670 20 5 EDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301827225 444192515 /nfs/dbraw/zinc/19/25/15/444192515.db2.gz PMFFNYZGLBYMNK-OAHLLOKOSA-N 0 3 336.367 1.652 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000301954630 444198212 /nfs/dbraw/zinc/19/82/12/444198212.db2.gz KIIMCCORFOCHJD-INIZCTEOSA-N 0 3 332.404 1.822 20 5 EDBDHN CCCN(CCN1CCCCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000290237489 444257598 /nfs/dbraw/zinc/25/75/98/444257598.db2.gz WLPKBXIDUKZLDH-UHFFFAOYSA-N 0 3 337.424 1.906 20 5 EDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000341001488 444624229 /nfs/dbraw/zinc/62/42/29/444624229.db2.gz LJWSQQKNYQITPG-ZDUSSCGKSA-N 0 3 346.387 1.068 20 5 EDBDHN C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000338671236 444801950 /nfs/dbraw/zinc/80/19/50/444801950.db2.gz BRFYSAUNASLNOH-CHWSQXEVSA-N 0 3 337.424 1.763 20 5 EDBDHN CCN1CC[C@@H]2OCCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000339382994 445135561 /nfs/dbraw/zinc/13/55/61/445135561.db2.gz UEHKCABWXIOCEI-HOTGVXAUSA-N 0 3 345.403 1.766 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCN2CCCC2)c1 ZINC000351792911 445324044 /nfs/dbraw/zinc/32/40/44/445324044.db2.gz SAYPKZAFCHQBBF-UHFFFAOYSA-N 0 3 341.433 1.976 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000348216637 445319281 /nfs/dbraw/zinc/31/92/81/445319281.db2.gz PAQAGDLNSBAZEH-AWEZNQCLSA-N 0 3 348.403 1.710 20 5 EDBDHN NC(=O)c1ccc(N2CCC[C@@H]2CN2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000362740847 445526688 /nfs/dbraw/zinc/52/66/88/445526688.db2.gz HZIFWVOZCAIJHC-KGLIPLIRSA-N 0 3 348.403 1.119 20 5 EDBDHN CN(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1O ZINC000359952389 445502142 /nfs/dbraw/zinc/50/21/42/445502142.db2.gz LZWTVPMMDSZMCO-CABCVRRESA-N 0 3 328.372 1.768 20 5 EDBDHN Cc1c(CC(=O)N2CC[C@H](N(C)CCO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356089195 445612885 /nfs/dbraw/zinc/61/28/85/445612885.db2.gz UGJPYSLMXOFVTG-CJNGLKHVSA-N 0 3 335.404 1.359 20 5 EDBDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000357971253 445596670 /nfs/dbraw/zinc/59/66/70/445596670.db2.gz HHVXTHYTYCZUDC-ZDUSSCGKSA-N 0 3 346.387 1.736 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN(C)C(C)C ZINC000349801263 445682418 /nfs/dbraw/zinc/68/24/18/445682418.db2.gz OASGHMDSAFMVMS-LBPRGKRZSA-N 0 3 329.422 1.910 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000353767796 445745719 /nfs/dbraw/zinc/74/57/19/445745719.db2.gz MVYKTLDMKDYWBX-CYBMUJFWSA-N 0 3 326.349 1.253 20 5 EDBDHN CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)N(C)C)cc1 ZINC000356498293 445823381 /nfs/dbraw/zinc/82/33/81/445823381.db2.gz QAPJEZXLKOUTGC-OAHLLOKOSA-N 0 3 345.403 1.923 20 5 EDBDHN COC(=O)[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000373185370 446085231 /nfs/dbraw/zinc/08/52/31/446085231.db2.gz ZPCRCTHUJBREMC-GJZGRUSLSA-N 0 3 334.372 1.903 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(n2cccn2)CC1 ZINC000373266404 446133520 /nfs/dbraw/zinc/13/35/20/446133520.db2.gz GCKLURGDVKSZQU-HNNXBMFYSA-N 0 3 346.387 1.868 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000361941718 446090114 /nfs/dbraw/zinc/09/01/14/446090114.db2.gz SWZHBELUJZTZIZ-HOCLYGCPSA-N 0 3 335.404 1.505 20 5 EDBDHN CN1CCC[C@@H](N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000365349445 446163424 /nfs/dbraw/zinc/16/34/24/446163424.db2.gz PMWKXUFGISYQLC-MRXNPFEDSA-N 0 3 347.419 1.839 20 5 EDBDHN C[C@@]1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000366896735 446402384 /nfs/dbraw/zinc/40/23/84/446402384.db2.gz NKVMAECRNIXZAK-KRWDZBQOSA-N 0 3 343.387 1.960 20 5 EDBDHN O=C1CC[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C2(CCC2)N1 ZINC000367033099 446478097 /nfs/dbraw/zinc/47/80/97/446478097.db2.gz HOVPGDGMRXKYTQ-CQSZACIVSA-N 0 3 347.371 1.752 20 5 EDBDHN CC(C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)S(C)(=O)=O ZINC000452860036 446485931 /nfs/dbraw/zinc/48/59/31/446485931.db2.gz SLZVYLWTYNZCOG-YPMHNXCESA-N 0 3 340.401 1.734 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000433155163 446538679 /nfs/dbraw/zinc/53/86/79/446538679.db2.gz CWMZKAWZHSVIEZ-NTZNESFSSA-N 0 3 337.376 1.945 20 5 EDBDHN O=C(CCN1CCC[C@H]1Cn1ccnn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411698011 446652212 /nfs/dbraw/zinc/65/22/12/446652212.db2.gz LTLRREDIHWNXCZ-HNNXBMFYSA-N 0 3 344.375 1.680 20 5 EDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000368378511 446824702 /nfs/dbraw/zinc/82/47/02/446824702.db2.gz OQLMNMXJNNLUJO-QWRGUYRKSA-N 0 3 333.323 1.210 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CCN(C)C2CC2)c1F ZINC000412256507 446913269 /nfs/dbraw/zinc/91/32/69/446913269.db2.gz MADOPRAXABZTDQ-UHFFFAOYSA-N 0 3 339.367 1.838 20 5 EDBDHN CC[C@@H](NC(=O)C(=O)N1CCC[C@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000419159058 446975071 /nfs/dbraw/zinc/97/50/71/446975071.db2.gz FQBXGPAWKZNRRJ-UONOGXRCSA-N 0 3 334.376 1.112 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@]12CCOC2 ZINC000421026414 446996341 /nfs/dbraw/zinc/99/63/41/446996341.db2.gz SOGWJFOQGFGLDU-MRXNPFEDSA-N 0 3 335.360 1.797 20 5 EDBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000375889988 447124886 /nfs/dbraw/zinc/12/48/86/447124886.db2.gz JTLDRZMDSOXROF-JKSUJKDBSA-N 0 3 343.387 1.395 20 5 EDBDHN C[C@H](CO)N1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000372731210 447252140 /nfs/dbraw/zinc/25/21/40/447252140.db2.gz ZXHBXKVODNBZQF-LHRNQBEKSA-N 0 3 333.388 1.523 20 5 EDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425552863 447228229 /nfs/dbraw/zinc/22/82/29/447228229.db2.gz SLQGMFMRYJNQDA-GHMZBOCLSA-N 0 3 330.348 1.529 20 5 EDBDHN O=C(CN[C@H]1CCO[C@H]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000372806091 447294432 /nfs/dbraw/zinc/29/44/32/447294432.db2.gz PBOJIALUKPBQSH-YOEHRIQHSA-N 0 3 331.372 1.641 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H]1CCCN(C)C1 ZINC000416568411 447650102 /nfs/dbraw/zinc/65/01/02/447650102.db2.gz XCBZDBKZEGPFAK-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN CCC[C@H]1CNCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420234613 447682107 /nfs/dbraw/zinc/68/21/07/447682107.db2.gz OCWXHTWPFZWTMQ-VIFPVBQESA-N 0 3 333.435 1.638 20 5 EDBDHN C[C@H](NC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451102175 447683720 /nfs/dbraw/zinc/68/37/20/447683720.db2.gz BJYJORNDDDINBP-VWPFQQQWSA-N 0 3 337.420 1.716 20 5 EDBDHN CCc1nc(CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000514798438 448206902 /nfs/dbraw/zinc/20/69/02/448206902.db2.gz ZFJFTCDUZONFQY-UHFFFAOYSA-N 0 3 333.348 1.701 20 5 EDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCCC1(F)F ZINC000591672219 448441900 /nfs/dbraw/zinc/44/19/00/448441900.db2.gz CQMVFRONGDMTPD-LBPRGKRZSA-N 0 3 329.303 1.335 20 5 EDBDHN CC1(C)CNCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000591678191 448445283 /nfs/dbraw/zinc/44/52/83/448445283.db2.gz MFKYFUPAERZTNH-UHFFFAOYSA-N 0 3 329.360 1.605 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000516856714 448482867 /nfs/dbraw/zinc/48/28/67/448482867.db2.gz BBKOYLAVQVUAGQ-TZMCWYRMSA-N 0 3 335.408 1.249 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000573007648 448522738 /nfs/dbraw/zinc/52/27/38/448522738.db2.gz HOLKZVBZPQZMAR-CEFACKQISA-N 0 3 339.417 1.622 20 5 EDBDHN C[C@H](CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)S(C)(=O)=O ZINC000537945247 448575556 /nfs/dbraw/zinc/57/55/56/448575556.db2.gz GVVWVILSUVGQOZ-BXUZGUMPSA-N 0 3 326.418 1.939 20 5 EDBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000586789610 448812765 /nfs/dbraw/zinc/81/27/65/448812765.db2.gz DCEMMLJBTCMYTC-CYBMUJFWSA-N 0 3 329.360 1.664 20 5 EDBDHN CS[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H]1N(C)C ZINC000588007933 448855781 /nfs/dbraw/zinc/85/57/81/448855781.db2.gz SONMNWBSSMMNQQ-QWHCGFSZSA-N 0 3 326.422 1.151 20 5 EDBDHN C[C@H]1CN(CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCCO1 ZINC000588033830 448861008 /nfs/dbraw/zinc/86/10/08/448861008.db2.gz QTLSZXZMGARDIM-LBPRGKRZSA-N 0 3 338.408 1.582 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000592758602 448972889 /nfs/dbraw/zinc/97/28/89/448972889.db2.gz KOJLNLOQNQFRLV-UHFFFAOYSA-N 0 3 325.365 1.254 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548089415 448980962 /nfs/dbraw/zinc/98/09/62/448980962.db2.gz JWTOKKHCDWGBSZ-SMDDNHRTSA-N 0 3 329.360 1.568 20 5 EDBDHN O=C(CCN1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595727953 449134431 /nfs/dbraw/zinc/13/44/31/449134431.db2.gz GUTARNSGDITGGO-QWHCGFSZSA-N 0 3 346.387 1.524 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(C2(O)CC2)CC1 ZINC000593049939 449114297 /nfs/dbraw/zinc/11/42/97/449114297.db2.gz MZQSDDGLRIWXRX-AWEZNQCLSA-N 0 3 336.388 1.571 20 5 EDBDHN COC[C@H]1C[C@@H](O)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593065760 449119776 /nfs/dbraw/zinc/11/97/76/449119776.db2.gz BGFWDNHDBMTKIA-ZIAGYGMSSA-N 0 3 337.376 1.313 20 5 EDBDHN COC[C@H]1C[C@@H](O)CN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000593067653 449121073 /nfs/dbraw/zinc/12/10/73/449121073.db2.gz YFVNUXJINCAYGK-CHWSQXEVSA-N 0 3 337.376 1.313 20 5 EDBDHN C[C@H]1CCCN(CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603930035 449160947 /nfs/dbraw/zinc/16/09/47/449160947.db2.gz FUBUMFWTALZBBT-NSHDSACASA-N 0 3 342.421 1.386 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595780825 449162263 /nfs/dbraw/zinc/16/22/63/449162263.db2.gz ITWFWICYPXIMDI-NZVBXONLSA-N 0 3 349.387 1.824 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2(C[NH3+])CC2)c1C ZINC000593730271 449164213 /nfs/dbraw/zinc/16/42/13/449164213.db2.gz GVQNYHLPXNBHPE-UHFFFAOYSA-N 0 3 327.406 1.619 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@](O)(C2CC2)C1 ZINC000595753579 449148140 /nfs/dbraw/zinc/14/81/40/449148140.db2.gz ZCPDOGWHWFBFDM-YOEHRIQHSA-N 0 3 336.388 1.571 20 5 EDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000590400826 449149129 /nfs/dbraw/zinc/14/91/29/449149129.db2.gz ZKHGNIBFSYDHQA-DZGCQCFKSA-N 0 3 349.387 1.295 20 5 EDBDHN Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000590564530 449193403 /nfs/dbraw/zinc/19/34/03/449193403.db2.gz FSGZASAFELFQOX-HOTGVXAUSA-N 0 3 333.388 1.838 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000590566213 449193528 /nfs/dbraw/zinc/19/35/28/449193528.db2.gz VOOCOORTUDGNTL-HZPDHXFCSA-N 0 3 333.388 1.838 20 5 EDBDHN Cc1cc([N+](=O)[O-])cn(C[C@]2(O)CCN(Cc3ccccc3)C2)c1=O ZINC000601956642 449244275 /nfs/dbraw/zinc/24/42/75/449244275.db2.gz CHWHYVBJASNBCQ-SFHVURJKSA-N 0 3 343.383 1.702 20 5 EDBDHN CCOc1ccc(C(=O)Nc2nn(C)c(C)c2CN)cc1[N+](=O)[O-] ZINC000595962693 449284682 /nfs/dbraw/zinc/28/46/82/449284682.db2.gz STUJWQHUWQUVPS-UHFFFAOYSA-N 0 3 333.348 1.746 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000598342514 449356659 /nfs/dbraw/zinc/35/66/59/449356659.db2.gz JVFMAPXXGPXUMR-CYBMUJFWSA-N 0 3 335.360 1.596 20 5 EDBDHN CN(CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)CC(C)(C)C ZINC000602141707 449378748 /nfs/dbraw/zinc/37/87/48/449378748.db2.gz NGOJRZQVKSZMKL-UHFFFAOYSA-N 0 3 337.424 1.933 20 5 EDBDHN CC(C)(C(=O)N[C@H]1CCCN2CCCC[C@H]12)n1cc([N+](=O)[O-])cn1 ZINC000594195133 449387596 /nfs/dbraw/zinc/38/75/96/449387596.db2.gz CFMUTZKDLULGAQ-UONOGXRCSA-N 0 3 335.408 1.660 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594202825 449388958 /nfs/dbraw/zinc/38/89/58/449388958.db2.gz SKAPYYHMTMQGTM-KBPBESRZSA-N 0 3 335.408 1.623 20 5 EDBDHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000600663024 449479933 /nfs/dbraw/zinc/47/99/33/449479933.db2.gz TUWIWFMLNFWCLJ-CWRNSKLLSA-N 0 3 348.403 1.704 20 5 EDBDHN COc1ccc(-c2ccc(CNC[C@H]3COCCN3)o2)c([N+](=O)[O-])c1 ZINC000600772587 449542166 /nfs/dbraw/zinc/54/21/66/449542166.db2.gz FICNZQUUMUFDHT-LBPRGKRZSA-N 0 3 347.371 1.941 20 5 EDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000600839947 449572453 /nfs/dbraw/zinc/57/24/53/449572453.db2.gz XZLDCLDYVCESEB-KRWDZBQOSA-N 0 3 346.431 1.722 20 5 EDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000598990476 449684593 /nfs/dbraw/zinc/68/45/93/449684593.db2.gz FXEPHQVFHBBLGR-ZDUSSCGKSA-N 0 3 339.359 1.401 20 5 EDBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915433 449645586 /nfs/dbraw/zinc/64/55/86/449645586.db2.gz LYWRLKDRIJWISH-PELKAZGASA-N 0 3 326.328 1.968 20 5 EDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000601140520 449712093 /nfs/dbraw/zinc/71/20/93/449712093.db2.gz XBYFVSKDVISICT-BDAKNGLRSA-N 0 3 333.314 1.878 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H](C)[NH+](C)C)c1C ZINC000594817960 449726423 /nfs/dbraw/zinc/72/64/23/449726423.db2.gz WPXFXUGTBVIEFD-NSHDSACASA-N 0 3 329.422 1.830 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)N1CCN(C)CC1 ZINC000595014525 449841999 /nfs/dbraw/zinc/84/19/99/449841999.db2.gz WLWLPZHKEKTLLB-KGLIPLIRSA-N 0 3 336.436 1.890 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000595193713 449936376 /nfs/dbraw/zinc/93/63/76/449936376.db2.gz CERAPKPAHRUDBP-CYBMUJFWSA-N 0 3 348.403 1.751 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)c1 ZINC000601420659 449937048 /nfs/dbraw/zinc/93/70/48/449937048.db2.gz FCHOOJUSKBXODN-CHWSQXEVSA-N 0 3 341.433 1.925 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000601420142 449937271 /nfs/dbraw/zinc/93/72/71/449937271.db2.gz RTQCNZXKPXWCPV-VIFPVBQESA-N 0 3 333.385 1.518 20 5 EDBDHN Cc1[nH]ncc1CN(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000602943177 449945060 /nfs/dbraw/zinc/94/50/60/449945060.db2.gz PRHMGROGKJNWKP-UHFFFAOYSA-N 0 3 329.360 1.647 20 5 EDBDHN C[C@@](CO)(NC[C@@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000602961459 449962008 /nfs/dbraw/zinc/96/20/08/449962008.db2.gz ADMFQVBLOOIIOY-ROUUACIJSA-N 0 3 330.384 1.996 20 5 EDBDHN CN1CC[C@](O)(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601445184 449967080 /nfs/dbraw/zinc/96/70/80/449967080.db2.gz SBKYISREISQYKU-INIZCTEOSA-N 0 3 333.388 1.199 20 5 EDBDHN C[C@H](C(=O)N1CCC[C@@](O)(CN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597574049 450118552 /nfs/dbraw/zinc/11/85/52/450118552.db2.gz MDHSMRHITBWLTH-SUMWQHHRSA-N 0 3 335.404 1.613 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCC[C@H]21 ZINC000599654064 450131418 /nfs/dbraw/zinc/13/14/18/450131418.db2.gz LEPPHBDHYFIQNV-RRFJBIMHSA-N 0 3 349.387 1.420 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000613704933 450272727 /nfs/dbraw/zinc/27/27/27/450272727.db2.gz YKXJCJGBYZYHIU-CYBMUJFWSA-N 0 3 344.419 1.976 20 5 EDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000603428714 450297607 /nfs/dbraw/zinc/29/76/07/450297607.db2.gz PSLBCCHQZSAGAB-QGZVFWFLSA-N 0 3 348.447 1.481 20 5 EDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCc3c[nH]nc3C1)OCCO2 ZINC000610717839 450310651 /nfs/dbraw/zinc/31/06/51/450310651.db2.gz SOBOYKHPUYNBTI-LBPRGKRZSA-N 0 3 330.344 1.736 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000616089492 450318614 /nfs/dbraw/zinc/31/86/14/450318614.db2.gz XZCUTENAGFCCGY-ZDUSSCGKSA-N 0 3 337.376 1.330 20 5 EDBDHN Cc1c(CC(=O)N2CCC[C@@](O)(CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000619565860 450507403 /nfs/dbraw/zinc/50/74/03/450507403.db2.gz IZZXUMLRRUFUFD-QGZVFWFLSA-N 0 3 335.404 1.361 20 5 EDBDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000341807997 535572677 /nfs/dbraw/zinc/57/26/77/535572677.db2.gz NFLHKOAJNSTWPL-LLVKDONJSA-N 0 3 336.392 1.688 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046946168 535727605 /nfs/dbraw/zinc/72/76/05/535727605.db2.gz PQCZIQIKCVXBMO-AWEZNQCLSA-N 0 3 334.420 1.280 20 5 EDBDHN CN(CCN1CCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000331673977 536370891 /nfs/dbraw/zinc/37/08/91/536370891.db2.gz PGVNRVBFVWLJGY-UHFFFAOYSA-N 0 3 335.360 1.534 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N(C)C1 ZINC000346787230 536776345 /nfs/dbraw/zinc/77/63/45/536776345.db2.gz GPHYYXZQBKVMPJ-UONOGXRCSA-N 0 3 340.355 1.917 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261687425 536956564 /nfs/dbraw/zinc/95/65/64/536956564.db2.gz ISYPYEFQMNCLGL-GHMZBOCLSA-N 0 3 343.405 1.270 20 5 EDBDHN C[C@@H]1C[C@H](N(C)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000741588681 579421550 /nfs/dbraw/zinc/42/15/50/579421550.db2.gz JATOFCRMFRQEPY-TZMCWYRMSA-N 0 3 345.403 1.886 20 5 EDBDHN CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCCN(C)C1 ZINC000741624914 579422439 /nfs/dbraw/zinc/42/24/39/579422439.db2.gz MLGHXQXCUAKFRD-AWEZNQCLSA-N 0 3 331.376 1.497 20 5 EDBDHN CCN1CCC(N(C)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000729844885 578595230 /nfs/dbraw/zinc/59/52/30/578595230.db2.gz WFTNWMTVMYSRDD-UHFFFAOYSA-N 0 3 345.403 1.887 20 5 EDBDHN CN(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCN(C2CC2)C1 ZINC000732188747 578696196 /nfs/dbraw/zinc/69/61/96/578696196.db2.gz MFNZJOLQBXOKGP-ZDUSSCGKSA-N 0 3 344.371 1.317 20 5 EDBDHN CN(C)CCOC1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000732666905 578723145 /nfs/dbraw/zinc/72/31/45/578723145.db2.gz GSACTBARZHUCNK-UHFFFAOYSA-N 0 3 333.392 1.790 20 5 EDBDHN O=C(NCCNc1ccncc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757255807 579966059 /nfs/dbraw/zinc/96/60/59/579966059.db2.gz JRVGDSVBCALANN-UHFFFAOYSA-N 0 3 349.778 1.976 20 5 EDBDHN CCN1CCN(CCC(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)CC1 ZINC000773987518 580351144 /nfs/dbraw/zinc/35/11/44/580351144.db2.gz IUOXDRNJDSQEGG-UHFFFAOYSA-N 0 3 346.431 1.820 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)NCCN2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000783919540 580608300 /nfs/dbraw/zinc/60/83/00/580608300.db2.gz RDMILDMZIZOKQU-CYBMUJFWSA-N 0 3 348.403 1.234 20 5 EDBDHN C/C(=C/C(=O)NCCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785067994 580634966 /nfs/dbraw/zinc/63/49/66/580634966.db2.gz ZZHDSSSZPVATNT-PFONDFGASA-N 0 3 346.431 1.752 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000785801228 580653763 /nfs/dbraw/zinc/65/37/63/580653763.db2.gz QJVMBZSIXKDDAW-CHWSQXEVSA-N 0 3 334.376 1.230 20 5 EDBDHN CS(=O)(=O)C1CC(NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893400618 590847438 /nfs/dbraw/zinc/84/74/38/590847438.db2.gz GEFRWBUMKBBHGT-UHFFFAOYSA-N 0 3 332.809 1.956 20 5 EDBDHN C/C(=C\C(=O)N1CCN(C)CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000888986702 590958262 /nfs/dbraw/zinc/95/82/62/590958262.db2.gz QRPQBMRGNCTFQH-CCEZHUSRSA-N 0 3 346.431 1.704 20 5 EDBDHN Cc1nn(CCC(=O)N[C@]2(C)CN3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000892783518 591174999 /nfs/dbraw/zinc/17/49/99/591174999.db2.gz BUGROZUVDBEUDI-MRXNPFEDSA-N 0 3 335.408 1.399 20 5 EDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000892929302 591228953 /nfs/dbraw/zinc/22/89/53/591228953.db2.gz GKUYNXQIQHWASO-HZPDHXFCSA-N 0 3 348.403 1.852 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CCN1C ZINC000906797341 592348630 /nfs/dbraw/zinc/34/86/30/592348630.db2.gz HIOMTSWYLOFSBF-NEPJUHHUSA-N 0 3 349.387 1.969 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)[C@H]2C1 ZINC000908348398 592456008 /nfs/dbraw/zinc/45/60/08/592456008.db2.gz OBDLKNSIFPMEFC-RISCZKNCSA-N 0 3 347.371 1.532 20 5 EDBDHN CN(C)C(=O)C1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000839632403 593356158 /nfs/dbraw/zinc/35/61/58/593356158.db2.gz HCDMNRSEHKNAGQ-UHFFFAOYSA-N 0 3 338.339 1.273 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C1CC(C(F)F)C1 ZINC000768689551 593441353 /nfs/dbraw/zinc/44/13/53/593441353.db2.gz IWPSOHFHFXTQCW-UHFFFAOYSA-N 0 3 349.359 1.506 20 5 EDBDHN CC(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813112227 593518378 /nfs/dbraw/zinc/51/83/78/593518378.db2.gz ODUFHBRMNQNDRG-JQWIXIFHSA-N 0 3 340.763 1.897 20 5 EDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813115801 593519093 /nfs/dbraw/zinc/51/90/93/593519093.db2.gz ZUPUTTZLWUEFPD-WCQYABFASA-N 0 3 338.335 1.886 20 5 EDBDHN CS(=O)(=O)C1(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000819276565 593748207 /nfs/dbraw/zinc/74/82/07/593748207.db2.gz OORCIZPWEAHVRV-ZDUSSCGKSA-N 0 3 328.390 1.185 20 5 EDBDHN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000825517020 594195906 /nfs/dbraw/zinc/19/59/06/594195906.db2.gz JSNWZYLDEJSFEQ-JKSUJKDBSA-N 0 3 333.388 1.715 20 5 EDBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(N2CCNC2=O)cc1 ZINC000829739258 594251622 /nfs/dbraw/zinc/25/16/22/594251622.db2.gz IMPGMPZYNBJGDK-GFCCVEGCSA-N 0 3 344.375 1.672 20 5 EDBDHN CN1CCN(C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000827462919 594674492 /nfs/dbraw/zinc/67/44/92/594674492.db2.gz UWOVLPMQOUIKQQ-UHFFFAOYSA-N 0 3 338.433 1.508 20 5 EDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832529573 594756659 /nfs/dbraw/zinc/75/66/59/594756659.db2.gz HTOXNCFXVHIIQZ-WQVCFCJDSA-N 0 3 333.388 1.713 20 5 EDBDHN CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](CN)C1 ZINC000841233472 594873888 /nfs/dbraw/zinc/87/38/88/594873888.db2.gz VHXLPBVFEIAWPV-SECBINFHSA-N 0 3 327.772 1.355 20 5 EDBDHN O=C(CCN1CCNC[C@@H]1C(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC000843385737 595096777 /nfs/dbraw/zinc/09/67/77/595096777.db2.gz QJBRSFPKFNVOHY-GFCCVEGCSA-N 0 3 346.309 1.601 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843792202 595187699 /nfs/dbraw/zinc/18/76/99/595187699.db2.gz XZDWNAZVEBAVGX-UHFFFAOYSA-N 0 3 327.356 1.693 20 5 EDBDHN CCOc1cc(COC(=O)C2CCCN(C)C2=O)ccc1[N+](=O)[O-] ZINC000837959553 595242657 /nfs/dbraw/zinc/24/26/57/595242657.db2.gz OGNLDTAQMOXZFK-LBPRGKRZSA-N 0 3 336.344 1.905 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000843096785 595286978 /nfs/dbraw/zinc/28/69/78/595286978.db2.gz UZFSDSAOMWDNIP-RDJZCZTQSA-N 0 3 334.347 1.961 20 5 EDBDHN COc1cc(CCNC[C@H](O)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000853062376 595651973 /nfs/dbraw/zinc/65/19/73/595651973.db2.gz NBXICSZUAYUKEO-HNNXBMFYSA-N 0 3 347.371 1.873 20 5 EDBDHN NC(=O)[C@@H]1CCCN1CCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000858224402 595735855 /nfs/dbraw/zinc/73/58/55/595735855.db2.gz FHFOXEYSPQWTIT-AWEZNQCLSA-N 0 3 340.811 1.678 20 5 EDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000855697389 595801385 /nfs/dbraw/zinc/80/13/85/595801385.db2.gz RJDWEQIKTGISDE-JXMROGBWSA-N 0 3 348.403 1.086 20 5 EDBDHN CON(C)C(=O)[C@H](C)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000858581421 595834003 /nfs/dbraw/zinc/83/40/03/595834003.db2.gz DUUFTZKELRWMJD-QWRGUYRKSA-N 0 3 338.364 1.310 20 5 EDBDHN CC(C)N1CCO[C@H](C(=N)NOCc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000853686176 595855498 /nfs/dbraw/zinc/85/54/98/595855498.db2.gz VTIKOAJHJBLBAJ-AWEZNQCLSA-N 0 3 340.355 1.842 20 5 EDBDHN CN1CCN(CC2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C2)CC1 ZINC000854644805 596147380 /nfs/dbraw/zinc/14/73/80/596147380.db2.gz SWOSDFBMXNRYNW-UHFFFAOYSA-N 0 3 336.367 1.053 20 5 EDBDHN Cc1c([C@H](C)NC[C@]23COC(=O)N2CCOC3)cccc1[N+](=O)[O-] ZINC000866523550 596240749 /nfs/dbraw/zinc/24/07/49/596240749.db2.gz FGUNOVNBORRFOT-LRDDRELGSA-N 0 3 335.360 1.775 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCN2C)C1 ZINC000867814149 596566612 /nfs/dbraw/zinc/56/66/12/596566612.db2.gz KBSURVNVZYRZAI-TZMCWYRMSA-N 0 3 339.417 1.618 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(N2CCC(N3CCN(C)CC3)CC2)c1 ZINC000866212483 596829712 /nfs/dbraw/zinc/82/97/12/596829712.db2.gz GFOQBVWPFZBMGG-UHFFFAOYSA-N 0 3 334.420 1.820 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000874095304 596925706 /nfs/dbraw/zinc/92/57/06/596925706.db2.gz RMEBITQBSWOYOI-UHFFFAOYSA-N 0 3 348.403 1.784 20 5 EDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000876473821 597215597 /nfs/dbraw/zinc/21/55/97/597215597.db2.gz ZRAXGIUZHCKRCM-AWEZNQCLSA-N 0 3 343.405 1.076 20 5 EDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000879990679 597799922 /nfs/dbraw/zinc/79/99/22/597799922.db2.gz FQGLRPRSBHEKFT-VSKPTYQZSA-N 0 3 333.388 1.571 20 5 EDBDHN CN(C(=O)CN1CC[C@H]2[C@H]1CCCN2C)c1ccc([N+](=O)[O-])cc1 ZINC000880132781 597850933 /nfs/dbraw/zinc/85/09/33/597850933.db2.gz FXMQVFNHBYRGJK-JKSUJKDBSA-N 0 3 332.404 1.726 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)CC2(C)CC2)CC1 ZINC000940216028 700356711 /nfs/dbraw/zinc/35/67/11/700356711.db2.gz NRUQTTHRWZAOGF-UHFFFAOYSA-N 0 3 349.435 1.989 20 5 EDBDHN Cc1c[nH]cc1C(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997302649 703545349 /nfs/dbraw/zinc/54/53/49/703545349.db2.gz JYEIYGIVAFISLH-UHFFFAOYSA-N 0 3 346.391 1.359 20 5 EDBDHN C[NH+](C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000175078250 231380930 /nfs/dbraw/zinc/38/09/30/231380930.db2.gz ZEICQHJDMNNMMI-QWRGUYRKSA-N 0 3 345.396 1.885 20 5 EDBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NCC(C)C)cccc1[N+](=O)[O-] ZINC000048717448 213958728 /nfs/dbraw/zinc/95/87/28/213958728.db2.gz YRDNSIGZZHTKJX-GFCCVEGCSA-N 0 3 342.417 1.979 20 5 EDBDHN CCN1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067134883 215116513 /nfs/dbraw/zinc/11/65/13/215116513.db2.gz ZIQJPFKKARKOEE-UHFFFAOYSA-N 0 3 344.375 1.390 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(C2CCOCC2)CC1 ZINC000090589227 138279941 /nfs/dbraw/zinc/27/99/41/138279941.db2.gz WRXNRBVXDAQJHU-UHFFFAOYSA-N 0 3 335.404 1.895 20 5 EDBDHN Cc1noc(C)c1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566063606 306397296 /nfs/dbraw/zinc/39/72/96/306397296.db2.gz DSNAJMGXUJDIQO-CYBMUJFWSA-N 0 3 335.360 1.772 20 5 EDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC[C@H]2CCC=CO2)c1 ZINC000194280147 138989020 /nfs/dbraw/zinc/98/90/20/138989020.db2.gz DHGPABBJPUPKBG-CYBMUJFWSA-N 0 3 341.389 1.155 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[NH2+]CC1 ZINC000226462018 139021765 /nfs/dbraw/zinc/02/17/65/139021765.db2.gz RVSWYXDFVVHCRR-SNVBAGLBSA-N 0 3 333.797 1.669 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262031553 139245206 /nfs/dbraw/zinc/24/52/06/139245206.db2.gz YWTWMIXCAVSQJK-JTQLQIEISA-N 0 3 329.378 1.024 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000262039572 139245865 /nfs/dbraw/zinc/24/58/65/139245865.db2.gz HNEGCAPLFWCVDO-NHYWBVRUSA-N 0 3 336.392 1.180 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@@H](C)C2)cc1C ZINC000262486892 139281787 /nfs/dbraw/zinc/28/17/87/139281787.db2.gz KMFAKBSUGJJQTC-NWDGAFQWSA-N 0 3 327.406 1.630 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000491839459 255151351 /nfs/dbraw/zinc/15/13/51/255151351.db2.gz SOGRYMSIJJVJHC-SDQPKGBYSA-N 0 3 337.351 1.536 20 5 EDBDHN C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000117035543 221024869 /nfs/dbraw/zinc/02/48/69/221024869.db2.gz QLOBGDGLWGRHTL-WFASDCNBSA-N 0 3 336.392 1.628 20 5 EDBDHN CCN1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000118826592 221190890 /nfs/dbraw/zinc/19/08/90/221190890.db2.gz ZOMVCDPZUVVRJS-UHFFFAOYSA-N 0 3 336.392 1.570 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000359982667 296516494 /nfs/dbraw/zinc/51/64/94/296516494.db2.gz YCTCYSTYFCQEGS-RYUDHWBXSA-N 0 3 325.390 1.261 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCN1C ZINC000345126484 143053775 /nfs/dbraw/zinc/05/37/75/143053775.db2.gz HJERHBXGJMXBIH-CHWSQXEVSA-N 0 3 348.403 1.850 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)N[C@@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000345321711 143077718 /nfs/dbraw/zinc/07/77/18/143077718.db2.gz OKZQRKNLCLBOJJ-GXTWGEPZSA-N 0 3 348.403 1.232 20 5 EDBDHN C[C@H](CN(C)C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000346157296 143173472 /nfs/dbraw/zinc/17/34/72/143173472.db2.gz KGFRQEUGKJFDGK-LLVKDONJSA-N 0 3 332.360 1.588 20 5 EDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000346157638 143173518 /nfs/dbraw/zinc/17/35/18/143173518.db2.gz CETYCOSWEFSVFC-SLEUVZQESA-N 0 3 332.404 1.979 20 5 EDBDHN Cc1c([C@@H](C)NCCNC(=O)c2cnccn2)cccc1[N+](=O)[O-] ZINC000346797459 143246596 /nfs/dbraw/zinc/24/65/96/143246596.db2.gz RPRUHOQYQPXOID-GFCCVEGCSA-N 0 3 329.360 1.774 20 5 EDBDHN C[C@H]1[C@H](N(C)CCO)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347075204 143279648 /nfs/dbraw/zinc/27/96/48/143279648.db2.gz AGFFSFFHDDYZHZ-IINYFYTJSA-N 0 3 325.340 1.261 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CN(C)C ZINC000416509406 304327011 /nfs/dbraw/zinc/32/70/11/304327011.db2.gz RHQTWXKIEQYTAY-UHFFFAOYSA-N 0 3 329.422 1.776 20 5 EDBDHN Cc1nn(C)c(NC[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000355713026 150370249 /nfs/dbraw/zinc/37/02/49/150370249.db2.gz FDMCYGXMVCHEAY-QGZVFWFLSA-N 0 3 345.403 1.686 20 5 EDBDHN COc1cc(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000361905194 286197428 /nfs/dbraw/zinc/19/74/28/286197428.db2.gz CVHDAWBSDXNMQZ-FZMZJTMJSA-N 0 3 349.387 1.778 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358161299 151291774 /nfs/dbraw/zinc/29/17/74/151291774.db2.gz FYTFRSKZCCOVOQ-CYBMUJFWSA-N 0 3 328.756 1.436 20 5 EDBDHN C[C@H](NC(=O)N[C@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000417137847 304376890 /nfs/dbraw/zinc/37/68/90/304376890.db2.gz NFBLFXHFBHCOLP-CABZTGNLSA-N 0 3 328.319 1.952 20 5 EDBDHN CN1CCC[C@@H](N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000360927040 152254548 /nfs/dbraw/zinc/25/45/48/152254548.db2.gz LUDSSKIQBDBFRX-QGZVFWFLSA-N 0 3 346.431 1.376 20 5 EDBDHN CN(C)C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)c2ccccc2O1 ZINC000366173242 153740127 /nfs/dbraw/zinc/74/01/27/153740127.db2.gz LRHUJEPIJZZEEA-ZDUSSCGKSA-N 0 3 331.376 1.621 20 5 EDBDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2CCn1cc([N+](=O)[O-])cn1 ZINC000374773283 157395235 /nfs/dbraw/zinc/39/52/35/157395235.db2.gz CIFTVVVNYZBNTC-AGUYFDCRSA-N 0 3 330.392 1.935 20 5 EDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CNCCC1(F)F ZINC000417929370 304433156 /nfs/dbraw/zinc/43/31/56/304433156.db2.gz AAQBFRSRRIAODC-GFCCVEGCSA-N 0 3 328.319 1.434 20 5 EDBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCCNCC1 ZINC000417986876 304442598 /nfs/dbraw/zinc/44/25/98/304442598.db2.gz ISWPSXKRUWKSRE-UHFFFAOYSA-N 0 3 326.784 1.796 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067612503 287246313 /nfs/dbraw/zinc/24/63/13/287246313.db2.gz GAEFEZOOILRAEZ-AWEZNQCLSA-N 0 3 348.447 1.907 20 5 EDBDHN CN(C)CCN(Cc1ccccc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000068310909 287248153 /nfs/dbraw/zinc/24/81/53/287248153.db2.gz SCYMOJZDYSACEM-UHFFFAOYSA-N 0 3 331.376 1.382 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112916925 287341770 /nfs/dbraw/zinc/34/17/70/287341770.db2.gz KRKXXQKAUKNKFM-RZIFZGNASA-N 0 3 346.431 1.750 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000122202161 222036052 /nfs/dbraw/zinc/03/60/52/222036052.db2.gz DVBPXTUMYGORHZ-GFCCVEGCSA-N 0 3 337.376 1.636 20 5 EDBDHN Cc1nn(CCC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000124009101 222365029 /nfs/dbraw/zinc/36/50/29/222365029.db2.gz ZUAURBXINQXZSC-BXUZGUMPSA-N 0 3 337.424 1.739 20 5 EDBDHN CN(CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC000272946109 273024535 /nfs/dbraw/zinc/02/45/35/273024535.db2.gz FKDQNMNASHGDHU-OAHLLOKOSA-N 0 3 332.360 1.298 20 5 EDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)c1 ZINC000276680523 268461035 /nfs/dbraw/zinc/46/10/35/268461035.db2.gz LMIXYKQNHQMLNV-JKSUJKDBSA-N 0 3 331.376 1.952 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000273442574 273040188 /nfs/dbraw/zinc/04/01/88/273040188.db2.gz NMNFNGITCARZLW-HFBDAHEESA-N 0 3 333.388 1.835 20 5 EDBDHN O=[N+]([O-])c1cnc(NCc2ccc(CN3CCC(O)CC3)cc2)nc1 ZINC000273564630 273045121 /nfs/dbraw/zinc/04/51/21/273045121.db2.gz CFIKYDZWTOXTTE-UHFFFAOYSA-N 0 3 343.387 1.954 20 5 EDBDHN O=[N+]([O-])c1ccc(CNCC2(OCCO)CCOCC2)c(Cl)c1 ZINC000282558652 273677438 /nfs/dbraw/zinc/67/74/38/273677438.db2.gz DNFZHCDCBURHCG-UHFFFAOYSA-N 0 3 344.795 1.896 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)N(C)C1 ZINC000284515667 274230760 /nfs/dbraw/zinc/23/07/60/274230760.db2.gz DQJHEPVZVAJSGZ-ZFWWWQNUSA-N 0 3 337.376 1.151 20 5 EDBDHN NC(=O)[C@H]1CCO[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000284537564 274237636 /nfs/dbraw/zinc/23/76/36/274237636.db2.gz LLXIMNXEAYJYOD-JKSUJKDBSA-N 0 3 333.388 1.697 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284734245 274312596 /nfs/dbraw/zinc/31/25/96/274312596.db2.gz KMFPKJCRUHEERC-OIISXLGYSA-N 0 3 336.388 1.978 20 5 EDBDHN COCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000285334123 274513635 /nfs/dbraw/zinc/51/36/35/274513635.db2.gz ULHGKQWWSDORCZ-PWSUYJOCSA-N 0 3 346.391 1.581 20 5 EDBDHN C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000373865482 274592536 /nfs/dbraw/zinc/59/25/36/274592536.db2.gz JCNJTFXOLKMWGQ-DZGCQCFKSA-N 0 3 333.436 1.639 20 5 EDBDHN Cc1nc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000362395303 274842481 /nfs/dbraw/zinc/84/24/81/274842481.db2.gz IJEWUZJZAOQHJR-ZFWWWQNUSA-N 0 3 333.436 1.760 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267234354 276787204 /nfs/dbraw/zinc/78/72/04/276787204.db2.gz WZWKUUNYSAKAAL-OAHLLOKOSA-N 0 3 338.433 1.831 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000104747974 302041335 /nfs/dbraw/zinc/04/13/35/302041335.db2.gz JUQKXWCSUBMPBW-LBPRGKRZSA-N 0 3 327.406 1.475 20 5 EDBDHN COc1cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000293892905 303034725 /nfs/dbraw/zinc/03/47/25/303034725.db2.gz NAZSGOKUVCIQRZ-QGZVFWFLSA-N 0 3 349.387 1.780 20 5 EDBDHN Cc1nn(CCC(=O)Nc2ccnn2CCN(C)C)c(C)c1[N+](=O)[O-] ZINC000294107339 303063781 /nfs/dbraw/zinc/06/37/81/303063781.db2.gz OVRFJWZGTSHYGF-UHFFFAOYSA-N 0 3 349.395 1.195 20 5 EDBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000295396548 303213409 /nfs/dbraw/zinc/21/34/09/303213409.db2.gz RLBZUCVMROXKDG-SSDOTTSWSA-N 0 3 333.753 1.156 20 5 EDBDHN C[C@@H](CN1CCCCC1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000298477441 303527060 /nfs/dbraw/zinc/52/70/60/303527060.db2.gz SYCPKLUYHVSSNB-NSHDSACASA-N 0 3 342.421 1.529 20 5 EDBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301564001 303684743 /nfs/dbraw/zinc/68/47/43/303684743.db2.gz YRROQXCDOSNQBN-ZDUSSCGKSA-N 0 3 349.435 1.392 20 5 EDBDHN CC(C)(NC[C@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429264443 305027127 /nfs/dbraw/zinc/02/71/27/305027127.db2.gz MOGRMJLPGBQISO-ZDUSSCGKSA-N 0 3 338.404 1.976 20 5 EDBDHN CN1CCN(CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429910284 305039993 /nfs/dbraw/zinc/03/99/93/305039993.db2.gz NKSPKOQGQOWLNO-UHFFFAOYSA-N 0 3 348.447 1.626 20 5 EDBDHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000434503189 305123816 /nfs/dbraw/zinc/12/38/16/305123816.db2.gz HBUAPKHGUDTALR-OAHLLOKOSA-N 0 3 344.419 1.677 20 5 EDBDHN CCN1CCN(C[C@H](C)CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439105099 305194083 /nfs/dbraw/zinc/19/40/83/305194083.db2.gz GXVFYEUPVQVLTQ-CYBMUJFWSA-N 0 3 349.435 1.379 20 5 EDBDHN C[C@@H]1CCN(C)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446899807 305271715 /nfs/dbraw/zinc/27/17/15/305271715.db2.gz KSNYPXXKRBKHQJ-LLVKDONJSA-N 0 3 346.391 1.707 20 5 EDBDHN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448797473 305301961 /nfs/dbraw/zinc/30/19/61/305301961.db2.gz SXQGLRZGJSLLCR-ZDUSSCGKSA-N 0 3 341.371 1.747 20 5 EDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000449099663 305306448 /nfs/dbraw/zinc/30/64/48/305306448.db2.gz OHVWRLRMBAZQRR-JSGCOSHPSA-N 0 3 341.433 1.539 20 5 EDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CCOCC2)C1=O ZINC000449179530 305309050 /nfs/dbraw/zinc/30/90/50/305309050.db2.gz WCVSRPXQHTWJQF-CJNGLKHVSA-N 0 3 347.415 1.895 20 5 EDBDHN O=C(CCN1CC[C@](O)(C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451424317 305345375 /nfs/dbraw/zinc/34/53/75/305345375.db2.gz GCEYHDJURLRHNT-CQSZACIVSA-N 0 3 329.303 1.625 20 5 EDBDHN CN1CC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000451624287 305357048 /nfs/dbraw/zinc/35/70/48/305357048.db2.gz AKETZKGFZUYYFG-YGRLFVJLSA-N 0 3 338.795 1.823 20 5 EDBDHN CO[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000516922604 305744149 /nfs/dbraw/zinc/74/41/49/305744149.db2.gz JQRXQBZMXDDAHH-CQSZACIVSA-N 0 3 328.390 1.383 20 5 EDBDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000104748328 441203796 /nfs/dbraw/zinc/20/37/96/441203796.db2.gz SCEUYFFFDAJFLC-ZDUSSCGKSA-N 0 3 327.406 1.308 20 5 EDBDHN CN(C)CCn1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cn1 ZINC000061635414 441282054 /nfs/dbraw/zinc/28/20/54/441282054.db2.gz DQPBWQFHYQSUCH-UHFFFAOYSA-N 0 3 346.391 1.794 20 5 EDBDHN CN(C)CCn1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cn1 ZINC000061635953 441283165 /nfs/dbraw/zinc/28/31/65/441283165.db2.gz LQNNNMGZPTXYLW-UHFFFAOYSA-N 0 3 333.348 1.370 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000073842216 441359238 /nfs/dbraw/zinc/35/92/38/441359238.db2.gz FFWTXKZOVOLDQU-LBPRGKRZSA-N 0 3 339.417 1.666 20 5 EDBDHN COC(=O)c1cc(C(=O)NC[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000108338921 441447690 /nfs/dbraw/zinc/44/76/90/441447690.db2.gz ILJBQLZXFYKTDH-NSHDSACASA-N 0 3 335.360 1.453 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088229544 441499499 /nfs/dbraw/zinc/49/94/99/441499499.db2.gz GYNXODVOQYZNRD-UHFFFAOYSA-N 0 3 349.391 1.673 20 5 EDBDHN O=C([C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000065588282 441464777 /nfs/dbraw/zinc/46/47/77/441464777.db2.gz AJXXYQBWBFKWMW-MRXNPFEDSA-N 0 3 347.415 1.708 20 5 EDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCN1CCCC1=O ZINC000112995473 441575897 /nfs/dbraw/zinc/57/58/97/441575897.db2.gz CIRNCZDVSOOSRM-UHFFFAOYSA-N 0 3 334.376 1.478 20 5 EDBDHN CC1CCN(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000054779630 441597438 /nfs/dbraw/zinc/59/74/38/441597438.db2.gz CJEVBHUTAHEDAC-UHFFFAOYSA-N 0 3 348.403 1.173 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(C)CC1 ZINC000041361660 441646136 /nfs/dbraw/zinc/64/61/36/441646136.db2.gz NKVXICXOQRQNKI-UHFFFAOYSA-N 0 3 335.408 1.056 20 5 EDBDHN CN(C)CCOc1ccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000136517195 441701775 /nfs/dbraw/zinc/70/17/75/441701775.db2.gz RKOAEBBRPYKITI-UHFFFAOYSA-N 0 3 333.348 1.188 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000068340743 441777821 /nfs/dbraw/zinc/77/78/21/441777821.db2.gz UNPCWYXFDKZRFS-INIZCTEOSA-N 0 3 343.387 1.947 20 5 EDBDHN CCc1nn(C)c(NC[C@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000094157487 441908895 /nfs/dbraw/zinc/90/88/95/441908895.db2.gz UHTKXXZIKBUYIA-LBPRGKRZSA-N 0 3 325.413 1.395 20 5 EDBDHN C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000174164857 441896970 /nfs/dbraw/zinc/89/69/70/441896970.db2.gz FWYPQCFAKDYRCK-AWEZNQCLSA-N 0 3 349.435 1.278 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]([NH3+])C1 ZINC000125106193 441984850 /nfs/dbraw/zinc/98/48/50/441984850.db2.gz UKQGAEQQJYQULS-ZJUUUORDSA-N 0 3 329.378 1.152 20 5 EDBDHN CCCN(CC)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000176212441 442192288 /nfs/dbraw/zinc/19/22/88/442192288.db2.gz PXMYXNIUDQKIDA-UHFFFAOYSA-N 0 3 336.392 1.690 20 5 EDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000164250051 442193030 /nfs/dbraw/zinc/19/30/30/442193030.db2.gz IAFLWMOLBWOIFD-JSGCOSHPSA-N 0 3 335.408 1.469 20 5 EDBDHN CSCC[C@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169192521 442225988 /nfs/dbraw/zinc/22/59/88/442225988.db2.gz UWGJORKXNAWJTQ-PWSUYJOCSA-N 0 3 339.421 1.083 20 5 EDBDHN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(C)CC1 ZINC000171534943 442355568 /nfs/dbraw/zinc/35/55/68/442355568.db2.gz PVXLLASLRMJDNZ-UHFFFAOYSA-N 0 3 343.387 1.947 20 5 EDBDHN O=C(NCCN1CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172205727 442423870 /nfs/dbraw/zinc/42/38/70/442423870.db2.gz AGZWZPPRJZAZNS-UHFFFAOYSA-N 0 3 330.344 1.262 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000180206012 442558161 /nfs/dbraw/zinc/55/81/61/442558161.db2.gz ZWKVBENGKPWBQF-WMLDXEAASA-N 0 3 343.387 1.661 20 5 EDBDHN COc1cc(OCC(=O)N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000186750881 442606250 /nfs/dbraw/zinc/60/62/50/442606250.db2.gz MQIRDCMWLUGBNN-UHFFFAOYSA-N 0 3 337.376 1.535 20 5 EDBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000192711862 442679168 /nfs/dbraw/zinc/67/91/68/442679168.db2.gz PISXVZXWWPFJBK-UHFFFAOYSA-N 0 3 335.364 1.677 20 5 EDBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000192711862 442679169 /nfs/dbraw/zinc/67/91/69/442679169.db2.gz PISXVZXWWPFJBK-UHFFFAOYSA-N 0 3 335.364 1.677 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000188245082 442728340 /nfs/dbraw/zinc/72/83/40/442728340.db2.gz SSYVEXOIVDELMZ-UHFFFAOYSA-N 0 3 348.403 1.784 20 5 EDBDHN CN(CCc1nccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182245762 442749622 /nfs/dbraw/zinc/74/96/22/442749622.db2.gz OEICIOJMBPVRBQ-GFCCVEGCSA-N 0 3 337.401 1.966 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183003566 442863669 /nfs/dbraw/zinc/86/36/69/442863669.db2.gz MHRNAANHFVXWDE-LRDDRELGSA-N 0 3 346.387 1.640 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000183119498 442883073 /nfs/dbraw/zinc/88/30/73/442883073.db2.gz DZHRFXTWQMVDIA-UHFFFAOYSA-N 0 3 348.403 1.235 20 5 EDBDHN COC(=O)[C@]1(C)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000268340108 442954603 /nfs/dbraw/zinc/95/46/03/442954603.db2.gz KWCNKYGJBUXNKU-CZUORRHYSA-N 0 3 338.360 1.220 20 5 EDBDHN COc1ccc(NC(=O)CCN2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249562785 442988535 /nfs/dbraw/zinc/98/85/35/442988535.db2.gz MCSAWHRBXRKNGI-XHDPSFHLSA-N 0 3 337.376 1.635 20 5 EDBDHN CN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268461161 442997042 /nfs/dbraw/zinc/99/70/42/442997042.db2.gz DXUHBENPFTZUEM-ZDUSSCGKSA-N 0 3 328.376 1.678 20 5 EDBDHN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268552833 443031767 /nfs/dbraw/zinc/03/17/67/443031767.db2.gz MWCONSUSXFGMQJ-OAHLLOKOSA-N 0 3 343.387 1.524 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C[NH3+] ZINC000237666615 443178460 /nfs/dbraw/zinc/17/84/60/443178460.db2.gz JLBSMBMSHFTDLE-RYUDHWBXSA-N 0 3 327.406 1.699 20 5 EDBDHN NC1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000269205439 443232524 /nfs/dbraw/zinc/23/25/24/443232524.db2.gz KXKZHLJYTRQBDK-UHFFFAOYSA-N 0 3 332.282 1.633 20 5 EDBDHN Cc1cc(S(=O)(=O)NC(C)(C)CN(C)C)c(C)cc1[N+](=O)[O-] ZINC000416512319 319436957 /nfs/dbraw/zinc/43/69/57/319436957.db2.gz PTKIWSJLKMXGHU-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000272888651 443480755 /nfs/dbraw/zinc/48/07/55/443480755.db2.gz YBDXQFJIEAQXHS-GFCCVEGCSA-N 0 3 338.364 1.446 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(CC1)OCCO2 ZINC000272975339 443507927 /nfs/dbraw/zinc/50/79/27/443507927.db2.gz CGCOHQGQEUQDCS-CYBMUJFWSA-N 0 3 338.360 1.173 20 5 EDBDHN C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000272058373 443524171 /nfs/dbraw/zinc/52/41/71/443524171.db2.gz BQMFRBSNOIZLFJ-QWHCGFSZSA-N 0 3 348.403 1.182 20 5 EDBDHN COC(=O)[C@H](C)CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039344 443525772 /nfs/dbraw/zinc/52/57/72/443525772.db2.gz OPYOSVOBYHDQOA-VXGBXAGGSA-N 0 3 326.349 1.075 20 5 EDBDHN COC(=O)CC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423845509 319821572 /nfs/dbraw/zinc/82/15/72/319821572.db2.gz NEBIZQQAGYGLQB-LLVKDONJSA-N 0 3 329.740 1.145 20 5 EDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nc1 ZINC000273571412 443580623 /nfs/dbraw/zinc/58/06/23/443580623.db2.gz DIEZKPOEAKSJFJ-GDBMZVCRSA-N 0 3 343.387 1.680 20 5 EDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000440075549 320061523 /nfs/dbraw/zinc/06/15/23/320061523.db2.gz HNTBWMPEWWFMLV-ZDUSSCGKSA-N 0 3 343.449 1.787 20 5 EDBDHN COCCOCCOCCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000276326959 443688541 /nfs/dbraw/zinc/68/85/41/443688541.db2.gz ZZJBJFVKVDDZFT-UHFFFAOYSA-N 0 3 342.392 1.585 20 5 EDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000298327394 443747585 /nfs/dbraw/zinc/74/75/85/443747585.db2.gz VDOCQVXRWDFIAD-CYBMUJFWSA-N 0 3 341.371 1.775 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000298602872 443813744 /nfs/dbraw/zinc/81/37/44/443813744.db2.gz LLOODCQRCCAJSL-UHFFFAOYSA-N 0 3 348.403 1.784 20 5 EDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCCC1 ZINC000288483238 443894180 /nfs/dbraw/zinc/89/41/80/443894180.db2.gz LJBGHWANERRPII-PPYMECGQSA-N 0 3 333.388 1.571 20 5 EDBDHN COC(=O)Cn1cc(CCN(C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000285420130 443977757 /nfs/dbraw/zinc/97/77/57/443977757.db2.gz VQFAPUNAMFELRR-UHFFFAOYSA-N 0 3 347.375 1.076 20 5 EDBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@H]2C1 ZINC000299412877 444039873 /nfs/dbraw/zinc/03/98/73/444039873.db2.gz RRGOKZXMGLJNHW-HNNXBMFYSA-N 0 3 346.387 1.021 20 5 EDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301807612 444191555 /nfs/dbraw/zinc/19/15/55/444191555.db2.gz FTRBXURBMWPJOU-AWEZNQCLSA-N 0 3 336.367 1.652 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000301956553 444197924 /nfs/dbraw/zinc/19/79/24/444197924.db2.gz KZDHJIXYSDNWNO-OAHLLOKOSA-N 0 3 332.404 1.822 20 5 EDBDHN Cc1nc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301964296 444198755 /nfs/dbraw/zinc/19/87/55/444198755.db2.gz NRFWSXAWXFFVAF-AWEZNQCLSA-N 0 3 333.392 1.217 20 5 EDBDHN CN(C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000290534875 444292553 /nfs/dbraw/zinc/29/25/53/444292553.db2.gz OMWXXABGHISZTG-ZDUSSCGKSA-N 0 3 347.350 1.943 20 5 EDBDHN COc1cccc2c1CC[C@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578521993 321788969 /nfs/dbraw/zinc/78/89/69/321788969.db2.gz VXFNEMPQUPCULY-SWLSCSKDSA-N 0 3 332.360 1.438 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298067083 444404011 /nfs/dbraw/zinc/40/40/11/444404011.db2.gz JGBHWLUZYHSCTO-ZDUSSCGKSA-N 0 3 348.403 1.751 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332093964 444500699 /nfs/dbraw/zinc/50/06/99/444500699.db2.gz BFHDXCFWRPVPTN-KFWWJZLASA-N 0 3 346.387 1.204 20 5 EDBDHN CN1CC[C@@]2(CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C2)C1 ZINC000581405338 322172458 /nfs/dbraw/zinc/17/24/58/322172458.db2.gz UJGDQDHOSHATAX-MRXNPFEDSA-N 0 3 329.360 1.776 20 5 EDBDHN COC(=O)c1cc(C)nc(N(C)[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000342198603 444559713 /nfs/dbraw/zinc/55/97/13/444559713.db2.gz HHDUNUFUVXSSCI-LBPRGKRZSA-N 0 3 334.376 1.758 20 5 EDBDHN COCCN1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000342216262 444570025 /nfs/dbraw/zinc/57/00/25/444570025.db2.gz CWGKGCBZJGLUKM-LBPRGKRZSA-N 0 3 337.376 1.822 20 5 EDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000341057270 444656849 /nfs/dbraw/zinc/65/68/49/444656849.db2.gz KCVUGFYQVAQZQC-BETUJISGSA-N 0 3 337.424 1.906 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](n2cccn2)C1 ZINC000342384615 444668111 /nfs/dbraw/zinc/66/81/11/444668111.db2.gz VGWURVPJUSNRRQ-GJZGRUSLSA-N 0 3 346.387 1.868 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1Cn1ccnn1 ZINC000344402396 444942972 /nfs/dbraw/zinc/94/29/72/444942972.db2.gz XYXWPNLBJVKMDW-KGLIPLIRSA-N 0 3 347.375 1.091 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1Cn1ccnn1 ZINC000344402400 444942691 /nfs/dbraw/zinc/94/26/91/444942691.db2.gz XYXWPNLBJVKMDW-ZIAGYGMSSA-N 0 3 347.375 1.091 20 5 EDBDHN CCC[NH+]1CCC(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000330761851 445131026 /nfs/dbraw/zinc/13/10/26/445131026.db2.gz NRLNHIYCRFCMKZ-UHFFFAOYSA-N 0 3 341.433 1.995 20 5 EDBDHN CNS(=O)(=O)c1ccc(N[C@@H]2CCCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343484011 445231455 /nfs/dbraw/zinc/23/14/55/445231455.db2.gz VOIDTEXXEDGNOU-CMPLNLGQSA-N 0 3 342.421 1.398 20 5 EDBDHN CC[C@H]1CC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000348379029 445271229 /nfs/dbraw/zinc/27/12/29/445271229.db2.gz CEHHBBGWBXRDFU-NWDGAFQWSA-N 0 3 327.406 1.651 20 5 EDBDHN C[C@@H]1CCN(C)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000362604017 445459398 /nfs/dbraw/zinc/45/93/98/445459398.db2.gz XMDQCKMHRBGXFX-GFCCVEGCSA-N 0 3 349.387 1.461 20 5 EDBDHN O=C(CNCc1ccccc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000353671091 445701274 /nfs/dbraw/zinc/70/12/74/445701274.db2.gz JMTRCATZLBZOJA-UHFFFAOYSA-N 0 3 334.420 1.677 20 5 EDBDHN C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1 ZINC000353706292 445717392 /nfs/dbraw/zinc/71/73/92/445717392.db2.gz GKGHBQBKHYGRIW-UHFFFAOYSA-N 0 3 332.320 1.070 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000353735161 445731008 /nfs/dbraw/zinc/73/10/08/445731008.db2.gz HLAMQNPUGDBNKR-INIZCTEOSA-N 0 3 340.376 1.643 20 5 EDBDHN CC[C@](C)(CO)NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353754934 445740138 /nfs/dbraw/zinc/74/01/38/445740138.db2.gz BHYKGDUFJFRBHJ-OAHLLOKOSA-N 0 3 326.349 1.397 20 5 EDBDHN NC(=O)c1ccc(CN2CCC(c3nc[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000363318891 445764875 /nfs/dbraw/zinc/76/48/75/445764875.db2.gz XJCLKEYGYJCRNH-UHFFFAOYSA-N 0 3 330.348 1.191 20 5 EDBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)N(C)C)cc1 ZINC000356498292 445823437 /nfs/dbraw/zinc/82/34/37/445823437.db2.gz QAPJEZXLKOUTGC-HNNXBMFYSA-N 0 3 345.403 1.923 20 5 EDBDHN C[C@@H]1C[C@H](c2cccnc2)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000358790372 445776259 /nfs/dbraw/zinc/77/62/59/445776259.db2.gz JMBPVOWXZUPXRR-UHOFOFEASA-N 0 3 331.376 1.630 20 5 EDBDHN COc1ccc(OCCN(CCO)[C@H]2CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000361587837 445834781 /nfs/dbraw/zinc/83/47/81/445834781.db2.gz XBRDODWIUQRPLV-JSGCOSHPSA-N 0 3 340.376 1.454 20 5 EDBDHN Cc1n[nH]c(C2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000365111196 446033649 /nfs/dbraw/zinc/03/36/49/446033649.db2.gz VSDRNLAUAXUPEA-UHFFFAOYSA-N 0 3 344.375 1.500 20 5 EDBDHN Cc1nnc(C2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000365111196 446033654 /nfs/dbraw/zinc/03/36/54/446033654.db2.gz VSDRNLAUAXUPEA-UHFFFAOYSA-N 0 3 344.375 1.500 20 5 EDBDHN CN(C(=O)CN1CC[C@H]2CCN(C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000373143815 446055716 /nfs/dbraw/zinc/05/57/16/446055716.db2.gz YDXIODFGMSFKOR-CJNGLKHVSA-N 0 3 332.404 1.584 20 5 EDBDHN CO[C@@H]1CCC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583867135 326155430 /nfs/dbraw/zinc/15/54/30/326155430.db2.gz SXLOMENTFOCCPY-IUODEOHRSA-N 0 3 342.417 1.773 20 5 EDBDHN Cc1nc(CCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000584286913 326235688 /nfs/dbraw/zinc/23/56/88/326235688.db2.gz NOPGLRKHFRWSLM-CYBMUJFWSA-N 0 3 335.360 1.772 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000376189068 446373252 /nfs/dbraw/zinc/37/32/52/446373252.db2.gz RWPGKHQLVWTWLL-STQMWFEESA-N 0 3 349.387 1.965 20 5 EDBDHN CCN(CC)S(=O)(=O)c1ccc(N(C)C2CNC2)c([N+](=O)[O-])c1 ZINC000420257362 446436208 /nfs/dbraw/zinc/43/62/08/446436208.db2.gz KFNMDUXQXCZDEO-UHFFFAOYSA-N 0 3 342.421 1.033 20 5 EDBDHN CC1(C)CCCN[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411739 446523152 /nfs/dbraw/zinc/52/31/52/446523152.db2.gz GFZMXERCTLWOIE-WFASDCNBSA-N 0 3 347.419 1.781 20 5 EDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000375025532 446523722 /nfs/dbraw/zinc/52/37/22/446523722.db2.gz ZNIPJQRWHXLTAX-IOASZLSFSA-N 0 3 332.404 1.948 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCNc2ccncc2)c1F ZINC000411530483 446586751 /nfs/dbraw/zinc/58/67/51/446586751.db2.gz JUHGJSDAWXPELF-UHFFFAOYSA-N 0 3 348.334 1.330 20 5 EDBDHN C[C@@H]1CCNC[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420430254 446605094 /nfs/dbraw/zinc/60/50/94/446605094.db2.gz CHXWYIMIIWECID-DGCLKSJQSA-N 0 3 327.406 1.055 20 5 EDBDHN CC(C)OC[C@@H](CO)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411632814 446629843 /nfs/dbraw/zinc/62/98/43/446629843.db2.gz HKNAPJYHNFDDGM-CYBMUJFWSA-N 0 3 339.392 1.641 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC[C@@H]1CCC[NH2+]1 ZINC000420454370 446630858 /nfs/dbraw/zinc/63/08/58/446630858.db2.gz YCPWEFKDJDPYFG-NSHDSACASA-N 0 3 343.405 1.414 20 5 EDBDHN CN1CC[C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375187911 446631826 /nfs/dbraw/zinc/63/18/26/446631826.db2.gz QCFGQMKEDZXFHG-SWLSCSKDSA-N 0 3 339.417 1.451 20 5 EDBDHN COc1cc(CN[C@@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])cc1OC ZINC000368230261 446724356 /nfs/dbraw/zinc/72/43/56/446724356.db2.gz WEUGTCSOVAFTQP-LLVKDONJSA-N 0 3 332.360 1.982 20 5 EDBDHN COc1cc(CN[C@@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])cc1OC ZINC000368230261 446724367 /nfs/dbraw/zinc/72/43/67/446724367.db2.gz WEUGTCSOVAFTQP-LLVKDONJSA-N 0 3 332.360 1.982 20 5 EDBDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375429313 446792740 /nfs/dbraw/zinc/79/27/40/446792740.db2.gz QIKCBNMHOUDASD-RHSMWYFYSA-N 0 3 331.372 1.641 20 5 EDBDHN CN1C[C@@H]2[C@@H](CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000375517843 446866265 /nfs/dbraw/zinc/86/62/65/446866265.db2.gz BAEKAIAJEPQTNQ-IUODEOHRSA-N 0 3 346.387 1.476 20 5 EDBDHN C[C@H](N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000372045217 446985359 /nfs/dbraw/zinc/98/53/59/446985359.db2.gz ATEHRFRQJBRSJT-RDJZCZTQSA-N 0 3 348.447 1.652 20 5 EDBDHN CS[C@@H]1CC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000425356552 447125455 /nfs/dbraw/zinc/12/54/55/447125455.db2.gz PMOIMDVJSBFKNL-QWHCGFSZSA-N 0 3 345.446 1.357 20 5 EDBDHN COc1cc(C(=O)N(C)C[C@@H]2CCCN2C)cc([N+](=O)[O-])c1OC ZINC000421703106 447224017 /nfs/dbraw/zinc/22/40/17/447224017.db2.gz LNEYAMSXIJHLPI-LBPRGKRZSA-N 0 3 337.376 1.778 20 5 EDBDHN Cc1nc(CN2CCC[C@H](N(C)CCn3ccc([N+](=O)[O-])n3)C2)no1 ZINC000372714890 447240526 /nfs/dbraw/zinc/24/05/26/447240526.db2.gz LXLHJZQMSRBXEB-ZDUSSCGKSA-N 0 3 349.395 1.079 20 5 EDBDHN O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000372749702 447267489 /nfs/dbraw/zinc/26/74/89/447267489.db2.gz ILNJPZUKJOJGLE-ZIAGYGMSSA-N 0 3 328.372 2.418 20 5 EDBDHN Cc1ccc(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000416553586 447645545 /nfs/dbraw/zinc/64/55/45/447645545.db2.gz CLTPRCGEDLNIQV-ZDUSSCGKSA-N 0 3 341.433 1.913 20 5 EDBDHN COC(=O)c1cc(C)nc(NCc2ccc3c(c2)CNC3)c1[N+](=O)[O-] ZINC000420232308 447679730 /nfs/dbraw/zinc/67/97/30/447679730.db2.gz CHOOVKHWFWJXIC-UHFFFAOYSA-N 0 3 342.355 2.300 20 5 EDBDHN O=C(CCN1CC[C@@](O)(C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451432314 447731871 /nfs/dbraw/zinc/73/18/71/447731871.db2.gz OMWDGSZDHNQDNP-AWEZNQCLSA-N 0 3 329.303 1.625 20 5 EDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000451917725 447783567 /nfs/dbraw/zinc/78/35/67/447783567.db2.gz NZQGCPKTEUCSKD-GJZGRUSLSA-N 0 3 346.431 1.942 20 5 EDBDHN CC(COC(=O)[C@@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496750658 447881040 /nfs/dbraw/zinc/88/10/40/447881040.db2.gz XEGXYZRULNASGR-GMTAPVOTSA-N 0 3 332.353 1.125 20 5 EDBDHN CCN1CCCC[C@@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000530940891 447987809 /nfs/dbraw/zinc/98/78/09/447987809.db2.gz CUMGSNQONFWFKB-LLVKDONJSA-N 0 3 342.421 1.529 20 5 EDBDHN COc1ccc(CC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000525540230 448004455 /nfs/dbraw/zinc/00/44/55/448004455.db2.gz NCJWOUWIXGMGCI-OCCSQVGLSA-N 0 3 335.404 1.945 20 5 EDBDHN COC(=O)N[C@@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000497275244 448029311 /nfs/dbraw/zinc/02/93/11/448029311.db2.gz BGTBTMIGKIZAFS-YGOYTEALSA-N 0 3 328.296 1.820 20 5 EDBDHN CNc1nccc(C(=O)NC2CC(N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000570862554 448077498 /nfs/dbraw/zinc/07/74/98/448077498.db2.gz SWJVYQIWACIDHC-UHFFFAOYSA-N 0 3 333.392 1.778 20 5 EDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CNCCC1(F)F ZINC000576568383 448085129 /nfs/dbraw/zinc/08/51/29/448085129.db2.gz GDADYHCKBBMZTK-GFCCVEGCSA-N 0 3 344.318 1.270 20 5 EDBDHN CNc1nccc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000557522953 448184857 /nfs/dbraw/zinc/18/48/57/448184857.db2.gz HBYOKIHDLJIOBD-RYUDHWBXSA-N 0 3 335.408 1.882 20 5 EDBDHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000591010548 448228951 /nfs/dbraw/zinc/22/89/51/448228951.db2.gz ALGADWHWMJYJLF-GFCCVEGCSA-N 0 3 334.376 1.442 20 5 EDBDHN CN1CCC(CCO)(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000492471397 448219533 /nfs/dbraw/zinc/21/95/33/448219533.db2.gz HYZAIWUBSZAWCC-VOTSOKGWSA-N 0 3 333.388 1.571 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000571979332 448251460 /nfs/dbraw/zinc/25/14/60/448251460.db2.gz KTULCXGCDZLJDN-LLVKDONJSA-N 0 3 348.403 1.608 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492804679 448298435 /nfs/dbraw/zinc/29/84/35/448298435.db2.gz XLPLVCSNSAMMGR-CEKUCVKPSA-N 0 3 333.388 1.522 20 5 EDBDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000564466243 448330693 /nfs/dbraw/zinc/33/06/93/448330693.db2.gz LSXQWIAXLBFRNL-ZDUSSCGKSA-N 0 3 349.435 2.416 20 5 EDBDHN C[C@H](C(=O)NC[C@@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000518315174 448663073 /nfs/dbraw/zinc/66/30/73/448663073.db2.gz ZBISMLXHBWGVJP-BBRMVZONSA-N 0 3 335.404 1.661 20 5 EDBDHN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592385156 448816636 /nfs/dbraw/zinc/81/66/36/448816636.db2.gz NGTZOFOIZPVSQE-ZCFIWIBFSA-N 0 3 327.284 1.239 20 5 EDBDHN CCc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864003 448943523 /nfs/dbraw/zinc/94/35/23/448943523.db2.gz VTXUINDPORQELZ-HUUCEWRRSA-N 0 3 333.388 1.438 20 5 EDBDHN COC(=O)COc1ccc(CN2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590052460 449101246 /nfs/dbraw/zinc/10/12/46/449101246.db2.gz CEYNCZOROVQLPJ-UKRRQHHQSA-N 0 3 349.387 1.283 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000590566212 449193688 /nfs/dbraw/zinc/19/36/88/449193688.db2.gz VOOCOORTUDGNTL-HOTGVXAUSA-N 0 3 333.388 1.838 20 5 EDBDHN Cc1c([N+](=O)[O-])ccc(=O)n1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000601959621 449246343 /nfs/dbraw/zinc/24/63/43/449246343.db2.gz NXNYWQBOBUVWEQ-SFHVURJKSA-N 0 3 343.383 1.702 20 5 EDBDHN CNc1nccc(C(=O)NC[C@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230282 449255992 /nfs/dbraw/zinc/25/59/92/449255992.db2.gz QAYWDCUPIHCPDV-CYBMUJFWSA-N 0 3 347.419 2.168 20 5 EDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@@H](C)N(C)C)c1 ZINC000593404373 449266954 /nfs/dbraw/zinc/26/69/54/449266954.db2.gz RQKMJAVFYMEZNZ-CYBMUJFWSA-N 0 3 345.403 1.828 20 5 EDBDHN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC000590758922 449277134 /nfs/dbraw/zinc/27/71/34/449277134.db2.gz TVRUCTRAGWPFFZ-GASCZTMLSA-N 0 3 337.420 1.751 20 5 EDBDHN CCCN1CC[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000598342074 449356880 /nfs/dbraw/zinc/35/68/80/449356880.db2.gz DFKFKXFIWPDPQU-ZDUSSCGKSA-N 0 3 344.375 1.390 20 5 EDBDHN C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000594211500 449390842 /nfs/dbraw/zinc/39/08/42/449390842.db2.gz DHKHIUFGJGTYFA-TUKIKUTGSA-N 0 3 334.376 1.116 20 5 EDBDHN Nc1ccc(N2CC[C@H](OCCN3CCCCC3)C2)nc1[N+](=O)[O-] ZINC000596167744 449393200 /nfs/dbraw/zinc/39/32/00/449393200.db2.gz LJMKPABQVUPLOW-ZDUSSCGKSA-N 0 3 335.408 1.653 20 5 EDBDHN Cc1c(Br)c(N[C@H](CO)CN(C)C)ncc1[N+](=O)[O-] ZINC000596243597 449435768 /nfs/dbraw/zinc/43/57/68/449435768.db2.gz MIASOXWVMHIFNA-QMMMGPOBSA-N 0 3 333.186 1.395 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 ZINC000598665875 449527539 /nfs/dbraw/zinc/52/75/39/449527539.db2.gz RNWSOXVIAVIMDE-CQSZACIVSA-N 0 3 349.391 1.173 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000598617678 449495964 /nfs/dbraw/zinc/49/59/64/449495964.db2.gz GXASVALVIICPNY-GFCCVEGCSA-N 0 3 327.406 1.442 20 5 EDBDHN C[C@]12COC[C@H]1CN([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000594659539 449613903 /nfs/dbraw/zinc/61/39/03/449613903.db2.gz DMOAHMQYLZPGBW-ZLENFMNRSA-N 0 3 345.355 1.195 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@]1(CO)COCC2(CCC2)N1C ZINC000598991180 449683865 /nfs/dbraw/zinc/68/38/65/449683865.db2.gz WEMZXCYGHYRZDW-GOSISDBHSA-N 0 3 349.431 1.609 20 5 EDBDHN CC(C)(C)N1CC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594801822 449713552 /nfs/dbraw/zinc/71/35/52/449713552.db2.gz SYEXYMQZCUJOOV-CYBMUJFWSA-N 0 3 341.433 1.887 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCC(NC[C@@H](O)C(F)(F)F)CC2)cn1 ZINC000602633590 449719207 /nfs/dbraw/zinc/71/92/07/449719207.db2.gz ZBUBDUNYFYWOAV-LLVKDONJSA-N 0 3 334.298 1.471 20 5 EDBDHN CCn1ccc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000602695947 449755231 /nfs/dbraw/zinc/75/52/31/449755231.db2.gz PDXDBRMRMSPESB-UHFFFAOYSA-N 0 3 330.392 1.965 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000594969125 449824362 /nfs/dbraw/zinc/82/43/62/449824362.db2.gz MPHCDNZNWVEGLD-LLVKDONJSA-N 0 3 338.360 1.397 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601422711 449941511 /nfs/dbraw/zinc/94/15/11/449941511.db2.gz XGIPLTGNBBUDMW-VHSXEESVSA-N 0 3 333.435 1.678 20 5 EDBDHN N[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1cccc(F)c1 ZINC000595226609 449958931 /nfs/dbraw/zinc/95/89/31/449958931.db2.gz VULQWXDCKNGKLD-HUUCEWRRSA-N 0 3 347.350 1.274 20 5 EDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609548614 450048982 /nfs/dbraw/zinc/04/89/82/450048982.db2.gz PGECHGNNXIDHNW-SNVBAGLBSA-N 0 3 342.355 1.815 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(CN3CCN(C)CC3)C2)c1 ZINC000597694156 450202305 /nfs/dbraw/zinc/20/23/05/450202305.db2.gz JALKQTDFHGLLRG-UHFFFAOYSA-N 0 3 332.404 1.223 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000610390132 450205294 /nfs/dbraw/zinc/20/52/94/450205294.db2.gz ULPXGIHLCLEHIJ-HZPDHXFCSA-N 0 3 332.360 1.695 20 5 EDBDHN COc1ccccc1CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174740235 534069678 /nfs/dbraw/zinc/06/96/78/534069678.db2.gz SWDAKRRXUNIILU-INIZCTEOSA-N 0 3 346.387 1.825 20 5 EDBDHN NC(=O)[C@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000183911662 534446267 /nfs/dbraw/zinc/44/62/67/534446267.db2.gz XOVHIYJZOFPMRM-UONOGXRCSA-N 0 3 335.360 1.595 20 5 EDBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183974904 528546441 /nfs/dbraw/zinc/54/64/41/528546441.db2.gz VIALUTHDDBAEMG-UHFFFAOYSA-N 0 3 347.318 1.240 20 5 EDBDHN CNS(=O)(=O)c1ccc(NCC2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000271821348 536319375 /nfs/dbraw/zinc/31/93/75/536319375.db2.gz NIBQPPCRWDXFDK-UHFFFAOYSA-N 0 3 340.405 1.177 20 5 EDBDHN CCCN(CCN(C)C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000729431488 578574934 /nfs/dbraw/zinc/57/49/34/578574934.db2.gz JUBPXGZZKDCSRG-UHFFFAOYSA-N 0 3 333.392 1.745 20 5 EDBDHN COCCN1CCC[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000729984291 578605896 /nfs/dbraw/zinc/60/58/96/578605896.db2.gz YYCPTLGEEGZSMV-RZIFZGNASA-N 0 3 333.388 1.835 20 5 EDBDHN CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735759257 578921160 /nfs/dbraw/zinc/92/11/60/578921160.db2.gz QQGQFMKTUDYSJC-AWEZNQCLSA-N 0 3 331.380 1.551 20 5 EDBDHN CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735759257 578921162 /nfs/dbraw/zinc/92/11/62/578921162.db2.gz QQGQFMKTUDYSJC-AWEZNQCLSA-N 0 3 331.380 1.551 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000761080696 580047440 /nfs/dbraw/zinc/04/74/40/580047440.db2.gz VIKQWYRKIHSBNR-GFCCVEGCSA-N 0 3 336.392 1.568 20 5 EDBDHN CCCNC(=O)[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776577970 580421892 /nfs/dbraw/zinc/42/18/92/580421892.db2.gz BNSWVWKKMAHICI-ZBFHGGJFSA-N 0 3 335.404 1.866 20 5 EDBDHN C[C@@H]1CCCN1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000780865039 580535677 /nfs/dbraw/zinc/53/56/77/580535677.db2.gz HZKWGXRGXJPVOQ-CYBMUJFWSA-N 0 3 341.433 1.541 20 5 EDBDHN O=C(Nc1ccncc1[N+](=O)[O-])NC1CCN(C[C@H]2CCCO2)CC1 ZINC000781448583 580549991 /nfs/dbraw/zinc/54/99/91/580549991.db2.gz RDNBSGYDYCPOFB-CYBMUJFWSA-N 0 3 349.391 1.177 20 5 EDBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)cc([N+](=O)[O-])c1F ZINC000784724890 580627244 /nfs/dbraw/zinc/62/72/44/580627244.db2.gz TWARRDGBGACYNP-VXGBXAGGSA-N 0 3 345.396 1.803 20 5 EDBDHN CN1CCN(C)CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000888998924 590753901 /nfs/dbraw/zinc/75/39/01/590753901.db2.gz RBBUIOUEWUWTDK-VMPITWQZSA-N 0 3 332.404 1.314 20 5 EDBDHN CN(C)CCOc1ccc(CCNc2c([N+](=O)[O-])cnn2C)cc1 ZINC000892334189 590962228 /nfs/dbraw/zinc/96/22/28/590962228.db2.gz REWUJTYLNKEJHV-UHFFFAOYSA-N 0 3 333.392 1.923 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000891345499 591051247 /nfs/dbraw/zinc/05/12/47/591051247.db2.gz WJOKKEVHFHCCFZ-CYBMUJFWSA-N 0 3 329.360 1.789 20 5 EDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1C(=O)NCC12CCOCC2 ZINC000895769697 591269397 /nfs/dbraw/zinc/26/93/97/591269397.db2.gz BPCFJUGFPPBRQY-CJNGLKHVSA-N 0 3 347.415 1.801 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(O)(COCCO)CC1 ZINC000895827836 591278088 /nfs/dbraw/zinc/27/80/88/591278088.db2.gz CRQKZDPHAVZLAN-UHFFFAOYSA-N 0 3 338.404 1.547 20 5 EDBDHN C[C@@H]1CN(c2ccncc2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000895268555 591690163 /nfs/dbraw/zinc/69/01/63/591690163.db2.gz OPSQWRVULXJVSM-LLVKDONJSA-N 0 3 330.348 1.074 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000899159940 591707416 /nfs/dbraw/zinc/70/74/16/591707416.db2.gz WKCHPYGSZMWDDL-UHFFFAOYSA-N 0 3 345.403 1.910 20 5 EDBDHN C[C@@H]1C[NH2+]C[C@H]1C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000905287655 592493358 /nfs/dbraw/zinc/49/33/58/592493358.db2.gz DOISIKYJXCZJKK-ZJUUUORDSA-N 0 3 329.303 1.538 20 5 EDBDHN COc1ccc(Br)cc1C[C@H](CO)CNCC[N+](=O)[O-] ZINC000905370227 592517644 /nfs/dbraw/zinc/51/76/44/592517644.db2.gz DMPONCGBKBMIDC-JTQLQIEISA-N 0 3 347.209 1.475 20 5 EDBDHN O=C([C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000805809934 593146602 /nfs/dbraw/zinc/14/66/02/593146602.db2.gz ABLNXWLPLKFMOU-HOCLYGCPSA-N 0 3 333.388 1.573 20 5 EDBDHN CC(=O)NCC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000805821549 593148155 /nfs/dbraw/zinc/14/81/55/593148155.db2.gz BDRNRPRHUCWRPF-YOEHRIQHSA-N 0 3 335.404 1.866 20 5 EDBDHN O=C(N[C@@H](CO)CN1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808224855 593242702 /nfs/dbraw/zinc/24/27/02/593242702.db2.gz WFAUUVQUJHTQJK-LLVKDONJSA-N 0 3 332.360 1.263 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839607258 593348559 /nfs/dbraw/zinc/34/85/59/593348559.db2.gz VKEFTHYONNPBLK-HZMBPMFUSA-N 0 3 338.795 1.823 20 5 EDBDHN CCN1CCN([C@@H](C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804349034 593407355 /nfs/dbraw/zinc/40/73/55/593407355.db2.gz IHVHSJOANMDDEY-LBPRGKRZSA-N 0 3 337.380 1.941 20 5 EDBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000806571589 593458018 /nfs/dbraw/zinc/45/80/18/593458018.db2.gz XAYOQZXODYVMNI-SSDOTTSWSA-N 0 3 333.753 1.156 20 5 EDBDHN COC(=O)c1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000812756925 593508743 /nfs/dbraw/zinc/50/87/43/593508743.db2.gz DRCVAURCZXXORJ-MRXNPFEDSA-N 0 3 347.371 1.852 20 5 EDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)[N+](=O)[O-] ZINC000813099771 593517428 /nfs/dbraw/zinc/51/74/28/593517428.db2.gz CINWFEVYGRHETD-RKDXNWHRSA-N 0 3 328.271 1.526 20 5 EDBDHN CC(COC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000813112734 593518760 /nfs/dbraw/zinc/51/87/60/593518760.db2.gz KDHSNSUJDXQYKI-NWDGAFQWSA-N 0 3 346.380 1.611 20 5 EDBDHN CC(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)[N+](=O)[O-] ZINC000813115413 593518799 /nfs/dbraw/zinc/51/87/99/593518799.db2.gz RFSFAJIPTTZFIM-LLVKDONJSA-N 0 3 345.355 1.945 20 5 EDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)[N+](=O)[O-] ZINC000813115159 593518864 /nfs/dbraw/zinc/51/88/64/593518864.db2.gz LLVIKYJSTNDQNA-DTWKUNHWSA-N 0 3 328.271 1.526 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(C1)CCCN(C)C2 ZINC000814910364 593606828 /nfs/dbraw/zinc/60/68/28/593606828.db2.gz UMJSMPIRPUYLEI-KRWDZBQOSA-N 0 3 332.404 1.877 20 5 EDBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@@H+]1C1CC1 ZINC000820664508 593857447 /nfs/dbraw/zinc/85/74/47/593857447.db2.gz AZAYTMBGWQRHQB-ZJUUUORDSA-N 0 3 329.364 1.812 20 5 EDBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@H+]1C1CC1 ZINC000820664508 593857448 /nfs/dbraw/zinc/85/74/48/593857448.db2.gz AZAYTMBGWQRHQB-ZJUUUORDSA-N 0 3 329.364 1.812 20 5 EDBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@@H+]1C1CC1 ZINC000820664508 593857450 /nfs/dbraw/zinc/85/74/50/593857450.db2.gz AZAYTMBGWQRHQB-ZJUUUORDSA-N 0 3 329.364 1.812 20 5 EDBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@H+]1C1CC1 ZINC000820664508 593857451 /nfs/dbraw/zinc/85/74/51/593857451.db2.gz AZAYTMBGWQRHQB-ZJUUUORDSA-N 0 3 329.364 1.812 20 5 EDBDHN C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820752036 593880769 /nfs/dbraw/zinc/88/07/69/593880769.db2.gz JSUXYZJEUBBZES-CMPLNLGQSA-N 0 3 331.380 1.551 20 5 EDBDHN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820752036 593880772 /nfs/dbraw/zinc/88/07/72/593880772.db2.gz JSUXYZJEUBBZES-CMPLNLGQSA-N 0 3 331.380 1.551 20 5 EDBDHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821001188 593942387 /nfs/dbraw/zinc/94/23/87/593942387.db2.gz PSIVURWIUZPFCP-DGCLKSJQSA-N 0 3 343.391 1.838 20 5 EDBDHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821001188 593942388 /nfs/dbraw/zinc/94/23/88/593942388.db2.gz PSIVURWIUZPFCP-DGCLKSJQSA-N 0 3 343.391 1.838 20 5 EDBDHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821001188 593942389 /nfs/dbraw/zinc/94/23/89/593942389.db2.gz PSIVURWIUZPFCP-DGCLKSJQSA-N 0 3 343.391 1.838 20 5 EDBDHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821001188 593942390 /nfs/dbraw/zinc/94/23/90/593942390.db2.gz PSIVURWIUZPFCP-DGCLKSJQSA-N 0 3 343.391 1.838 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN1C1CCCCCC1 ZINC000826666859 594550064 /nfs/dbraw/zinc/55/00/64/594550064.db2.gz JIPDRZPEYYJYEM-ZDUSSCGKSA-N 0 3 335.408 1.855 20 5 EDBDHN CCN1CCN(CC(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000837132596 595040453 /nfs/dbraw/zinc/04/04/53/595040453.db2.gz AQBMSOCZCSSQIX-UHFFFAOYSA-N 0 3 328.457 1.354 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCC2(C[NH3+])CC2)c1 ZINC000846231395 595180811 /nfs/dbraw/zinc/18/08/11/595180811.db2.gz KYQAXHOALQLXJL-UHFFFAOYSA-N 0 3 347.824 1.964 20 5 EDBDHN CS(=O)(=O)CCOCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848534808 595403601 /nfs/dbraw/zinc/40/36/01/595403601.db2.gz VSOXEPPQBJFLAB-ZDUSSCGKSA-N 0 3 328.390 1.233 20 5 EDBDHN CCN(CC)CCS(=O)(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000849417470 595523832 /nfs/dbraw/zinc/52/38/32/595523832.db2.gz RODCJHXUFUIGQA-UHFFFAOYSA-N 0 3 347.349 1.553 20 5 EDBDHN O=C([N-]CC12CC(C1)C[NH2+]2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767566 595601656 /nfs/dbraw/zinc/60/16/56/595601656.db2.gz GBIXZDYIMFNHRA-UHFFFAOYSA-N 0 3 327.287 1.435 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCN1 ZINC000856490244 596005053 /nfs/dbraw/zinc/00/50/53/596005053.db2.gz YQIOTVRLFZZVFD-NSHDSACASA-N 0 3 335.389 1.670 20 5 EDBDHN CN1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859745793 596182309 /nfs/dbraw/zinc/18/23/09/596182309.db2.gz SAUGVJPXVUUTKY-UHFFFAOYSA-N 0 3 343.383 1.935 20 5 EDBDHN CN1CCN(CCCCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865442961 596576066 /nfs/dbraw/zinc/57/60/66/596576066.db2.gz RMPIHASGSAANHO-UHFFFAOYSA-N 0 3 340.399 1.666 20 5 EDBDHN COCCN1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865467113 596584068 /nfs/dbraw/zinc/58/40/68/596584068.db2.gz SSGHJIGACWYPCZ-UHFFFAOYSA-N 0 3 327.356 1.749 20 5 EDBDHN COC(=O)C1=CC[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000863572284 596622775 /nfs/dbraw/zinc/62/27/75/596622775.db2.gz MUHSWIXVIIKJQO-STQMWFEESA-N 0 3 336.344 1.186 20 5 EDBDHN C=C/C=C/CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000878722050 597690381 /nfs/dbraw/zinc/69/03/81/597690381.db2.gz OQUXQLWAUCKFQT-SNAWJCMRSA-N 0 3 339.417 1.937 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738370913 598422707 /nfs/dbraw/zinc/42/27/07/598422707.db2.gz SIECMSSGSRSUFL-LBPRGKRZSA-N 0 3 329.364 1.449 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738370913 598422709 /nfs/dbraw/zinc/42/27/09/598422709.db2.gz SIECMSSGSRSUFL-LBPRGKRZSA-N 0 3 329.364 1.449 20 5 EDBDHN O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738367957 598597361 /nfs/dbraw/zinc/59/73/61/598597361.db2.gz XRMBJQGRHKUQPD-UHFFFAOYSA-N 0 3 340.343 1.944 20 5 EDBDHN O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738367957 598597362 /nfs/dbraw/zinc/59/73/62/598597362.db2.gz XRMBJQGRHKUQPD-UHFFFAOYSA-N 0 3 340.343 1.944 20 5 EDBDHN CCO[C@H](CNCc1cc(OC)c([O-])cc1[N+](=O)[O-])C[NH+](C)C ZINC000922756146 704316289 /nfs/dbraw/zinc/31/62/89/704316289.db2.gz GKPMEGCLRFPHNE-GFCCVEGCSA-N 0 3 327.381 1.365 20 5 EDBDHN O=C(NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1cnon1 ZINC001001959425 708474034 /nfs/dbraw/zinc/47/40/34/708474034.db2.gz QMMPBCDRHLUBOQ-UHFFFAOYSA-N 0 3 345.359 1.620 20 5 EDBDHN CN(C)CCN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000081865280 282089020 /nfs/dbraw/zinc/08/90/20/282089020.db2.gz VPZQIVVLYLGBPD-UHFFFAOYSA-N 0 3 334.420 1.831 20 5 EDBDHN CCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000171397217 529467541 /nfs/dbraw/zinc/46/75/41/529467541.db2.gz FVIMNXBCMWQGGB-ZDUSSCGKSA-N 0 3 331.376 1.913 20 5 EDBDHN CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000365022153 282227486 /nfs/dbraw/zinc/22/74/86/282227486.db2.gz VSYHQNWCDZCNLO-UKRRQHHQSA-N 0 3 343.387 1.676 20 5 EDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000171447148 529785872 /nfs/dbraw/zinc/78/58/72/529785872.db2.gz RCSNCNWUSNLXES-AWEZNQCLSA-N 0 3 332.404 1.971 20 5 EDBDHN CNS(=O)(=O)c1ccc(N2CCc3cnccc32)c([N+](=O)[O-])c1 ZINC000175006597 530030799 /nfs/dbraw/zinc/03/07/99/530030799.db2.gz JVZIDIAICBUSTH-UHFFFAOYSA-N 0 3 334.357 1.592 20 5 EDBDHN COc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000109840159 138306570 /nfs/dbraw/zinc/30/65/70/138306570.db2.gz YNEAYIVXICQCHG-LLVKDONJSA-N 0 3 343.405 1.318 20 5 EDBDHN CN(C)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000131230319 223215206 /nfs/dbraw/zinc/21/52/06/223215206.db2.gz LXTDXFGPESAEQU-ZDUSSCGKSA-N 0 3 327.406 1.451 20 5 EDBDHN CCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000236920479 139035190 /nfs/dbraw/zinc/03/51/90/139035190.db2.gz SAGYUOOIRSGVRK-SNVBAGLBSA-N 0 3 340.405 1.068 20 5 EDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245538503 139078400 /nfs/dbraw/zinc/07/84/00/139078400.db2.gz ZDTMIZHSUJPTKY-ZYHUDNBSSA-N 0 3 335.360 1.736 20 5 EDBDHN Cn1ccnc1[C@@H]1CNCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000262075193 139248859 /nfs/dbraw/zinc/24/88/59/139248859.db2.gz SLILUXHCQOWISW-NBUZRDOWSA-N 0 3 327.388 1.988 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000153013085 224045710 /nfs/dbraw/zinc/04/57/10/224045710.db2.gz NNUSMUVGVRWWFV-KRWDZBQOSA-N 0 3 337.420 1.935 20 5 EDBDHN COCCN(C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000263706162 139354326 /nfs/dbraw/zinc/35/43/26/139354326.db2.gz CNYOQLTUHIHAKH-UHFFFAOYSA-N 0 3 347.375 1.089 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000474361242 255019597 /nfs/dbraw/zinc/01/95/97/255019597.db2.gz HXWXPENBSFUORC-BZPMIXESSA-N 0 3 336.344 1.556 20 5 EDBDHN CC(C)[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000488014226 255041244 /nfs/dbraw/zinc/04/12/44/255041244.db2.gz YIGPHWCDALBZJX-RDJZCZTQSA-N 0 3 337.420 1.607 20 5 EDBDHN COC[C@@H](O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000117946358 221102146 /nfs/dbraw/zinc/10/21/46/221102146.db2.gz AXFZIOJJNQFNSD-NSHDSACASA-N 0 3 336.344 1.960 20 5 EDBDHN CCc1ccc(S(=O)(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000571280756 306560840 /nfs/dbraw/zinc/56/08/40/306560840.db2.gz RGNIRRTWSINQDA-UHFFFAOYSA-N 0 3 345.421 1.014 20 5 EDBDHN CCCc1n[nH]c(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000270544586 140121018 /nfs/dbraw/zinc/12/10/18/140121018.db2.gz YJRUUDKFZYKISD-WDEREUQCSA-N 0 3 341.437 1.388 20 5 EDBDHN CCCc1[nH]nc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000270544586 140121020 /nfs/dbraw/zinc/12/10/20/140121020.db2.gz YJRUUDKFZYKISD-WDEREUQCSA-N 0 3 341.437 1.388 20 5 EDBDHN C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000271306004 140274740 /nfs/dbraw/zinc/27/47/40/140274740.db2.gz KECGBDHFHDNKLI-QMMMGPOBSA-N 0 3 335.389 1.812 20 5 EDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CC(=O)N2C ZINC000271432581 140295195 /nfs/dbraw/zinc/29/51/95/140295195.db2.gz BEIBYZACWMTXTQ-NSHDSACASA-N 0 3 329.360 1.661 20 5 EDBDHN CCOc1ccccc1[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000271740244 140342050 /nfs/dbraw/zinc/34/20/50/140342050.db2.gz ILNWMBPLXZNHQX-JSGCOSHPSA-N 0 3 334.376 1.902 20 5 EDBDHN CN(C)C1(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000416301319 304306217 /nfs/dbraw/zinc/30/62/17/304306217.db2.gz KUCQPKGCQHDSRA-UHFFFAOYSA-N 0 3 335.360 1.119 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1N1CCCC1 ZINC000331559417 141048090 /nfs/dbraw/zinc/04/80/90/141048090.db2.gz KECAJPMHUVIKLL-CHWSQXEVSA-N 0 3 338.433 1.585 20 5 EDBDHN CCN1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3OC)[C@H]2C1 ZINC000339385971 142033279 /nfs/dbraw/zinc/03/32/79/142033279.db2.gz SQZJCPHNKZFPLP-HOTGVXAUSA-N 0 3 335.404 1.898 20 5 EDBDHN CN(C)CCn1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1=O ZINC000339534260 142069209 /nfs/dbraw/zinc/06/92/09/142069209.db2.gz SUIMMDZASHIMOM-UHFFFAOYSA-N 0 3 330.344 1.570 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N(C)C1 ZINC000346787228 143245792 /nfs/dbraw/zinc/24/57/92/143245792.db2.gz GPHYYXZQBKVMPJ-KBPBESRZSA-N 0 3 340.355 1.917 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)[C@H](O)C1 ZINC000357572092 151071297 /nfs/dbraw/zinc/07/12/97/151071297.db2.gz PZOFJJVSWBJXJA-SMDDNHRTSA-N 0 3 337.376 1.635 20 5 EDBDHN CCN1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000360814772 152217141 /nfs/dbraw/zinc/21/71/41/152217141.db2.gz UQGXFOKMPDGTNZ-UHFFFAOYSA-N 0 3 347.379 1.434 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](Oc2ccccc2)C1 ZINC000362713232 152790877 /nfs/dbraw/zinc/79/08/77/152790877.db2.gz ZBRGFPSMENLUAA-INIZCTEOSA-N 0 3 329.356 1.910 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000367694050 154232309 /nfs/dbraw/zinc/23/23/09/154232309.db2.gz BAFOCCIWPUMKMP-GDBMZVCRSA-N 0 3 332.404 1.873 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCO[C@H]3CCC[C@H]32)c1 ZINC000369473875 155048808 /nfs/dbraw/zinc/04/88/08/155048808.db2.gz UIKVRCKYZMSUKY-OIISXLGYSA-N 0 3 336.388 1.978 20 5 EDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CCN1C1CCN(C)CC1 ZINC000373873286 157043495 /nfs/dbraw/zinc/04/34/95/157043495.db2.gz VTJGGEDMEXSQNS-LLVKDONJSA-N 0 3 325.438 1.656 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(Cc3ccc(F)cc3)C2)c1 ZINC000375851137 157673961 /nfs/dbraw/zinc/67/39/61/157673961.db2.gz UCOUYWIQKWRHHQ-MRXNPFEDSA-N 0 3 334.351 1.466 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000378450305 158177705 /nfs/dbraw/zinc/17/77/05/158177705.db2.gz OWFHKSAMLDCPLI-IUODEOHRSA-N 0 3 346.387 1.394 20 5 EDBDHN Cc1c(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000365185038 162353662 /nfs/dbraw/zinc/35/36/62/162353662.db2.gz MLJVCIPTJNZGOY-QWHCGFSZSA-N 0 3 334.376 1.888 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000116795515 287346955 /nfs/dbraw/zinc/34/69/55/287346955.db2.gz SOGRYMSIJJVJHC-YVARQFDVSA-N 0 3 337.351 1.536 20 5 EDBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000158973368 225120339 /nfs/dbraw/zinc/12/03/39/225120339.db2.gz RFDVDYQMMPYDCI-ZDUSSCGKSA-N 0 3 329.360 1.885 20 5 EDBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000158973368 225120342 /nfs/dbraw/zinc/12/03/42/225120342.db2.gz RFDVDYQMMPYDCI-ZDUSSCGKSA-N 0 3 329.360 1.885 20 5 EDBDHN COC(=O)[C@]1(C)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273399169 268043311 /nfs/dbraw/zinc/04/33/11/268043311.db2.gz WBBOWRFZYZWGBW-BLLLJJGKSA-N 0 3 338.360 1.220 20 5 EDBDHN CN(C)CC1(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000281128856 273439568 /nfs/dbraw/zinc/43/95/68/273439568.db2.gz TVBKMHXWRBNGCE-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN CSC1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCN(C)CC1 ZINC000353301721 274174172 /nfs/dbraw/zinc/17/41/72/274174172.db2.gz WQPNFWSQWUKDSA-UHFFFAOYSA-N 0 3 339.421 1.361 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@](O)(Cn3ccnn3)C2)cc1 ZINC000284539487 274238090 /nfs/dbraw/zinc/23/80/90/274238090.db2.gz KMSMSQACAIDZAY-MRXNPFEDSA-N 0 3 347.375 1.092 20 5 EDBDHN C[C@@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184799124 274256528 /nfs/dbraw/zinc/25/65/28/274256528.db2.gz AGMBKNXXVSUMJP-DDTOSNHZSA-N 0 3 334.376 1.556 20 5 EDBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000360810499 276846836 /nfs/dbraw/zinc/84/68/36/276846836.db2.gz CPMZCPKYDBIZEW-GFCCVEGCSA-N 0 3 329.360 1.461 20 5 EDBDHN CN1CCC(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000128664250 277024287 /nfs/dbraw/zinc/02/42/87/277024287.db2.gz HKNXSUJYMYKUDM-UHFFFAOYSA-N 0 3 332.404 1.585 20 5 EDBDHN C[C@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000268877445 278271199 /nfs/dbraw/zinc/27/11/99/278271199.db2.gz DYMPYHUHMUKEHO-WCQYABFASA-N 0 3 327.406 1.669 20 5 EDBDHN C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000357883999 278325508 /nfs/dbraw/zinc/32/55/08/278325508.db2.gz YJUNJMPNRGKRLA-CYBMUJFWSA-N 0 3 347.419 1.956 20 5 EDBDHN C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000420326479 278551366 /nfs/dbraw/zinc/55/13/66/278551366.db2.gz CHVSWASPAXFEOK-OCCSQVGLSA-N 0 3 341.433 1.428 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000262776166 278798593 /nfs/dbraw/zinc/79/85/93/278798593.db2.gz NQDVOOWFRBNXOF-NWDGAFQWSA-N 0 3 327.406 1.630 20 5 EDBDHN C[C@H](CN1CCOCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000091514443 279318125 /nfs/dbraw/zinc/31/81/25/279318125.db2.gz XENDNFMJNKZFGI-KGLIPLIRSA-N 0 3 335.408 1.197 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000268310168 280656048 /nfs/dbraw/zinc/65/60/48/280656048.db2.gz ZDDQTMIYLNNCCW-GXTWGEPZSA-N 0 3 341.433 1.782 20 5 EDBDHN O=C(N[C@@H](CO)CN1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000288628951 288531260 /nfs/dbraw/zinc/53/12/60/288531260.db2.gz WKTVUWKKAWNCTD-GFCCVEGCSA-N 0 3 346.387 1.653 20 5 EDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCN(C2CCC2)C1 ZINC000292419185 289341966 /nfs/dbraw/zinc/34/19/66/289341966.db2.gz WGMRXVWXTGHDKL-NSHDSACASA-N 0 3 333.392 1.399 20 5 EDBDHN CCN1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000298017290 303487740 /nfs/dbraw/zinc/48/77/40/303487740.db2.gz ZTCOAQHKSFMIPW-UHFFFAOYSA-N 0 3 348.403 1.751 20 5 EDBDHN CC(C)(NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000429263723 305027102 /nfs/dbraw/zinc/02/71/02/305027102.db2.gz YUKPGVIWMBZQEN-LBPRGKRZSA-N 0 3 341.433 1.701 20 5 EDBDHN O=C1[C@H](N[C@@H]2CCC[C@H]2CCO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429772782 305036706 /nfs/dbraw/zinc/03/67/06/305036706.db2.gz YAABBECFZOAQBP-APHBMKBZSA-N 0 3 333.388 1.841 20 5 EDBDHN COC(=O)[C@H](O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441265111 305219827 /nfs/dbraw/zinc/21/98/27/305219827.db2.gz LPFBDQRGMBNMIT-OAHLLOKOSA-N 0 3 338.360 1.220 20 5 EDBDHN Cc1c(NC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000442164183 305226595 /nfs/dbraw/zinc/22/65/95/305226595.db2.gz QXECWKQUCIAXQA-ZYHUDNBSSA-N 0 3 334.376 1.441 20 5 EDBDHN COc1cc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000444805831 305253430 /nfs/dbraw/zinc/25/34/30/305253430.db2.gz VUOQLOYRCPBMGF-ZDUSSCGKSA-N 0 3 337.420 1.880 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000447242683 305276073 /nfs/dbraw/zinc/27/60/73/305276073.db2.gz DAIHFLHWUXZYBR-LBPRGKRZSA-N 0 3 327.406 1.699 20 5 EDBDHN Cc1nc(N2CC[C@H](OCCN3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000450385952 305329611 /nfs/dbraw/zinc/32/96/11/305329611.db2.gz CXBPHXGXGFYQRY-AWEZNQCLSA-N 0 3 335.408 1.774 20 5 EDBDHN O=[N+]([O-])c1c(NC[C@@H]2CCCN2CCCO)nc2sccn21 ZINC000450595654 305330265 /nfs/dbraw/zinc/33/02/65/305330265.db2.gz MGVNRWLADPUOHO-JTQLQIEISA-N 0 3 325.394 1.563 20 5 EDBDHN COC(=O)CNC(=O)CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550091 305352872 /nfs/dbraw/zinc/35/28/72/305352872.db2.gz QVVKBNIPRAJMRQ-AWEZNQCLSA-N 0 3 349.387 1.454 20 5 EDBDHN CS(=O)(=O)[C@H]1CCC[C@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000552111865 306175324 /nfs/dbraw/zinc/17/53/24/306175324.db2.gz OBZVQYPHJWEMGJ-WFASDCNBSA-N 0 3 342.417 1.919 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000006435779 440992343 /nfs/dbraw/zinc/99/23/43/440992343.db2.gz GGHMJHNMNXAWHI-UHFFFAOYSA-N 0 3 331.394 1.224 20 5 EDBDHN COCCN(C)CCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000058257273 441166928 /nfs/dbraw/zinc/16/69/28/441166928.db2.gz HFOIFCVPPYKKSD-FNORWQNLSA-N 0 3 339.367 1.832 20 5 EDBDHN NS(=O)(=O)c1ccc(NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000014327096 441183237 /nfs/dbraw/zinc/18/32/37/441183237.db2.gz LSIPZFMQHMZRKA-UHFFFAOYSA-N 0 3 340.405 1.281 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000105168777 441239675 /nfs/dbraw/zinc/23/96/75/441239675.db2.gz HQAMRYQFVUEDII-LLVKDONJSA-N 0 3 336.392 1.885 20 5 EDBDHN COCCN(CCOC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000063483039 441331809 /nfs/dbraw/zinc/33/18/09/441331809.db2.gz NIPCDIHDTHAHKL-UHFFFAOYSA-N 0 3 339.392 1.827 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000073842137 441359823 /nfs/dbraw/zinc/35/98/23/441359823.db2.gz XXWHJBVIVIAORF-LBPRGKRZSA-N 0 3 339.417 1.666 20 5 EDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027761189 441413588 /nfs/dbraw/zinc/41/35/88/441413588.db2.gz SZDLDJZFUFOMOA-NSHDSACASA-N 0 3 335.360 1.928 20 5 EDBDHN CC(C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000052209291 441440469 /nfs/dbraw/zinc/44/04/69/441440469.db2.gz JHLKCOHLLLYSHH-MRVPVSSYSA-N 0 3 334.781 1.640 20 5 EDBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1OCCc2ccccc21 ZINC000075681640 441548210 /nfs/dbraw/zinc/54/82/10/441548210.db2.gz VAXLJIMLVBTCHF-RDJZCZTQSA-N 0 3 346.387 1.398 20 5 EDBDHN CN1CC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000109849185 441510093 /nfs/dbraw/zinc/51/00/93/441510093.db2.gz BVILGZWDHOYLCX-LBPRGKRZSA-N 0 3 329.360 1.462 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@@H](C)CN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000032663103 441564319 /nfs/dbraw/zinc/56/43/19/441564319.db2.gz MBWYEVZUKZTLFH-LBPRGKRZSA-N 0 3 349.387 1.986 20 5 EDBDHN CN(C)CC(C)(C)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089619510 441564940 /nfs/dbraw/zinc/56/49/40/441564940.db2.gz DXYADCUBNHHNSG-UHFFFAOYSA-N 0 3 329.422 1.998 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000077687599 441830018 /nfs/dbraw/zinc/83/00/18/441830018.db2.gz OSEGGASBOVRJKQ-UHFFFAOYSA-N 0 3 335.813 1.868 20 5 EDBDHN CC(C)(C)OC(=O)NC[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174840146 441974720 /nfs/dbraw/zinc/97/47/20/441974720.db2.gz FNYWOUKMJGCXSE-GFCCVEGCSA-N 0 3 339.396 1.638 20 5 EDBDHN CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000150879866 441966797 /nfs/dbraw/zinc/96/67/97/441966797.db2.gz BIIMXEWWNSNUPV-LBPRGKRZSA-N 0 3 345.421 1.230 20 5 EDBDHN Cc1nn(C)c(N2CCCC[C@@H](N3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000127082644 442169463 /nfs/dbraw/zinc/16/94/63/442169463.db2.gz OLQQBKOLPSCFEG-CQSZACIVSA-N 0 3 336.440 1.243 20 5 EDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163223122 442152173 /nfs/dbraw/zinc/15/21/73/442152173.db2.gz KMHAHRSGUASJHB-CYBMUJFWSA-N 0 3 331.376 1.231 20 5 EDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000129572284 442323406 /nfs/dbraw/zinc/32/34/06/442323406.db2.gz MPTXRDJAZMNIQU-AWEZNQCLSA-N 0 3 344.375 1.140 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(CC2CCOCC2)CC1 ZINC000172459188 442466935 /nfs/dbraw/zinc/46/69/35/442466935.db2.gz FLNTYUXVIWNFCZ-UHFFFAOYSA-N 0 3 347.415 1.708 20 5 EDBDHN Cc1cc(C)c2c(c1)CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000186710707 442598459 /nfs/dbraw/zinc/59/84/59/442598459.db2.gz KHHPJRNCLSJKPF-INIZCTEOSA-N 0 3 330.388 1.827 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-]CC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193235438 442725287 /nfs/dbraw/zinc/72/52/87/442725287.db2.gz IUPXMOCEBSSRMD-UHFFFAOYSA-N 0 3 347.368 1.020 20 5 EDBDHN CN(C)C[C@H]1CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268220509 442905777 /nfs/dbraw/zinc/90/57/77/442905777.db2.gz WQAQHDQDJJEQSC-OAHLLOKOSA-N 0 3 348.403 1.267 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000194945389 442970935 /nfs/dbraw/zinc/97/09/35/442970935.db2.gz LDNYAPBHNJPKAR-AWEZNQCLSA-N 0 3 336.392 1.481 20 5 EDBDHN CCOC1CC(CNCc2ccccc2[N+](=O)[O-])(N2CCOCC2)C1 ZINC000195460605 443021211 /nfs/dbraw/zinc/02/12/11/443021211.db2.gz DBGNLOVEFWOUHE-UHFFFAOYSA-N 0 3 349.431 1.954 20 5 EDBDHN COCCCN(C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000266125293 443026152 /nfs/dbraw/zinc/02/61/52/443026152.db2.gz ACWOIVBNBDBYQT-UHFFFAOYSA-N 0 3 337.420 1.957 20 5 EDBDHN NC(=O)c1cc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000266127857 443027201 /nfs/dbraw/zinc/02/72/01/443027201.db2.gz CTSFIHLYUAUVFI-LBPRGKRZSA-N 0 3 329.360 1.796 20 5 EDBDHN C[C@@H]1C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000296238032 318678504 /nfs/dbraw/zinc/67/85/04/318678504.db2.gz CNRLPFVSPIXJHW-GYSYKLTISA-N 0 3 343.405 1.029 20 5 EDBDHN COCCCN(C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266150281 443035984 /nfs/dbraw/zinc/03/59/84/443035984.db2.gz KHQPDNMRCQWUHL-UHFFFAOYSA-N 0 3 334.376 1.774 20 5 EDBDHN NC(=O)c1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000296359655 318688637 /nfs/dbraw/zinc/68/86/37/318688637.db2.gz SAECFCQVZGTMAK-BPLDGKMQSA-N 0 3 331.372 1.741 20 5 EDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000268956769 443158818 /nfs/dbraw/zinc/15/88/18/443158818.db2.gz DOPJPXCPLNWVGX-RHSMWYFYSA-N 0 3 346.431 1.894 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000267104801 443343664 /nfs/dbraw/zinc/34/36/64/443343664.db2.gz LPWNIWKENGPKEZ-OAHLLOKOSA-N 0 3 349.416 1.638 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000264602695 443342233 /nfs/dbraw/zinc/34/22/33/443342233.db2.gz FQVQLRJMFOJXCM-LBPRGKRZSA-N 0 3 327.406 1.618 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000264602691 443342479 /nfs/dbraw/zinc/34/24/79/443342479.db2.gz FQVQLRJMFOJXCM-GFCCVEGCSA-N 0 3 327.406 1.618 20 5 EDBDHN CCCc1n[nH]c(C(=O)N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264611969 443346799 /nfs/dbraw/zinc/34/67/99/443346799.db2.gz NYEDHKSJYRRTMM-LBPRGKRZSA-N 0 3 335.408 1.971 20 5 EDBDHN CCCc1[nH]nc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264611969 443346802 /nfs/dbraw/zinc/34/68/02/443346802.db2.gz NYEDHKSJYRRTMM-LBPRGKRZSA-N 0 3 335.408 1.971 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264743559 443402032 /nfs/dbraw/zinc/40/20/32/443402032.db2.gz KXQHMKKXVJUNDP-ZDUSSCGKSA-N 0 3 335.360 1.387 20 5 EDBDHN C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272935669 443494053 /nfs/dbraw/zinc/49/40/53/443494053.db2.gz LMEYGPKCGIMDKE-GFCCVEGCSA-N 0 3 347.371 1.553 20 5 EDBDHN COCCCN(CCOC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272941637 443495807 /nfs/dbraw/zinc/49/58/07/443495807.db2.gz NNDIGFPCUXMRQP-AWEZNQCLSA-N 0 3 342.392 1.319 20 5 EDBDHN COCC[C@@](C)(O)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000265202359 443568050 /nfs/dbraw/zinc/56/80/50/443568050.db2.gz BBFLBVLWPXQHFH-OAHLLOKOSA-N 0 3 328.365 1.489 20 5 EDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286136510 443653948 /nfs/dbraw/zinc/65/39/48/443653948.db2.gz HOFRVRHUAGQINY-AWEZNQCLSA-N 0 3 336.367 1.477 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000440357454 320073877 /nfs/dbraw/zinc/07/38/77/320073877.db2.gz LJQWXIWVMZTHAZ-CHWSQXEVSA-N 0 3 341.433 1.878 20 5 EDBDHN CNCCN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440836843 320082517 /nfs/dbraw/zinc/08/25/17/320082517.db2.gz YEAVZQNNTPEUBP-UHFFFAOYSA-N 0 3 342.204 1.742 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[C@H](OC)C1(C)C ZINC000451495172 320235665 /nfs/dbraw/zinc/23/56/65/320235665.db2.gz KZWOZCFGDFGVDE-KGLIPLIRSA-N 0 3 337.376 1.945 20 5 EDBDHN CN(C)CC1(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC000281078819 443812055 /nfs/dbraw/zinc/81/20/55/443812055.db2.gz NPICDCBFVJBFJJ-UHFFFAOYSA-N 0 3 325.340 1.713 20 5 EDBDHN CNC(=O)c1ccc(NC2CCN(CCOC)CC2)c([N+](=O)[O-])c1 ZINC000299242309 443993718 /nfs/dbraw/zinc/99/37/18/443993718.db2.gz MQGYDPGDHYCRLY-UHFFFAOYSA-N 0 3 336.392 1.477 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@H]2CO)cc1 ZINC000564976222 321162625 /nfs/dbraw/zinc/16/26/25/321162625.db2.gz QPRMVBYAKQJZAD-FZMZJTMJSA-N 0 3 328.390 1.119 20 5 EDBDHN CC(C)(CCCO)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566112518 321216770 /nfs/dbraw/zinc/21/67/70/321216770.db2.gz XBHJELPFYBHRAR-UHFFFAOYSA-N 0 3 344.433 1.757 20 5 EDBDHN CCn1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1=O ZINC000566123742 321218394 /nfs/dbraw/zinc/21/83/94/321218394.db2.gz DOYPJBXJZPQYRC-OAHLLOKOSA-N 0 3 347.371 1.306 20 5 EDBDHN COC1CCN(CCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301538774 444177999 /nfs/dbraw/zinc/17/79/99/444177999.db2.gz MNBVCVUCAIQSHR-UHFFFAOYSA-N 0 3 325.394 1.827 20 5 EDBDHN CC[C@H](NC(=O)C(=O)N1CC[C@@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000289648306 444186092 /nfs/dbraw/zinc/18/60/92/444186092.db2.gz LMFMOISDDOJPHN-CABCVRRESA-N 0 3 348.403 1.325 20 5 EDBDHN CC[C@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296402140 444226885 /nfs/dbraw/zinc/22/68/85/444226885.db2.gz KOGXGCBTVBJGJJ-GXSJLCMTSA-N 0 3 330.410 1.155 20 5 EDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000296512560 444235005 /nfs/dbraw/zinc/23/50/05/444235005.db2.gz PNWLQCRYFATCFC-JSGCOSHPSA-N 0 3 329.422 1.963 20 5 EDBDHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000303976900 444238437 /nfs/dbraw/zinc/23/84/37/444238437.db2.gz CKFXNQDPTLIZNO-OAHLLOKOSA-N 0 3 335.404 1.726 20 5 EDBDHN NC(=O)c1ccc(CN2CCNC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000313338667 444296390 /nfs/dbraw/zinc/29/63/90/444296390.db2.gz ZVRFEHUSZQKNMA-KRWDZBQOSA-N 0 3 340.383 1.840 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(C3CC3)cc2F)c1 ZINC000578437241 321774315 /nfs/dbraw/zinc/77/43/15/321774315.db2.gz WYZIHZAUIRGQBK-OAHLLOKOSA-N 0 3 334.351 1.959 20 5 EDBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000340507674 444416746 /nfs/dbraw/zinc/41/67/46/444416746.db2.gz XODQAVYHMYRHBG-IUODEOHRSA-N 0 3 342.417 1.916 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](O)[C@H]1C ZINC000298054904 444399468 /nfs/dbraw/zinc/39/94/68/444399468.db2.gz FRBHUHJBYPUNAK-RISCZKNCSA-N 0 3 337.376 1.777 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000579308492 321914478 /nfs/dbraw/zinc/91/44/78/321914478.db2.gz ZENHWOXPDTVQIL-LSDHHAIUSA-N 0 3 348.447 1.841 20 5 EDBDHN CCN1CCN(CCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000338030488 444492132 /nfs/dbraw/zinc/49/21/32/444492132.db2.gz YDTKUEWEXIPFNU-UHFFFAOYSA-N 0 3 334.420 1.581 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000342760635 444852617 /nfs/dbraw/zinc/85/26/17/444852617.db2.gz ZRKAPAYXQDTDRS-ZIAGYGMSSA-N 0 3 346.387 1.937 20 5 EDBDHN Cc1c([C@H](C)NCC2(O)CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000342808073 444874873 /nfs/dbraw/zinc/87/48/73/444874873.db2.gz KFEHODANFFKNGY-LBPRGKRZSA-N 0 3 342.417 1.494 20 5 EDBDHN CCN1CCN([C@@H](C)CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341535863 444881369 /nfs/dbraw/zinc/88/13/69/444881369.db2.gz QJHUCKGEZPDNRK-LBPRGKRZSA-N 0 3 335.408 1.132 20 5 EDBDHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000337294639 445019924 /nfs/dbraw/zinc/01/99/24/445019924.db2.gz NLYYDEJVGMRGPB-FZMZJTMJSA-N 0 3 345.396 1.541 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000343058696 445033982 /nfs/dbraw/zinc/03/39/82/445033982.db2.gz PPNJSFRAEZMFFM-UHFFFAOYSA-N 0 3 345.359 1.886 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)N(C)C1 ZINC000344490529 445007275 /nfs/dbraw/zinc/00/72/75/445007275.db2.gz DQJHEPVZVAJSGZ-DZGCQCFKSA-N 0 3 337.376 1.151 20 5 EDBDHN CC(C)CN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CCN(C)CC1 ZINC000330825303 445155833 /nfs/dbraw/zinc/15/58/33/445155833.db2.gz QZRZWUBZWLZJAO-UHFFFAOYSA-N 0 3 335.408 1.764 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCCN1C ZINC000343448035 445224869 /nfs/dbraw/zinc/22/48/69/445224869.db2.gz PQSSQPXPYZMXFH-OLZOCXBDSA-N 0 3 343.387 1.993 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCN1C ZINC000343450190 445225148 /nfs/dbraw/zinc/22/51/48/445225148.db2.gz QQBOKLQYISNZTN-YPMHNXCESA-N 0 3 349.387 1.507 20 5 EDBDHN C[C@@H]1[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCCN1C ZINC000343455726 445226103 /nfs/dbraw/zinc/22/61/03/445226103.db2.gz JQSNKNJZBXHVKB-KOLCDFICSA-N 0 3 328.394 1.137 20 5 EDBDHN COc1cc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000343516062 445237175 /nfs/dbraw/zinc/23/71/75/445237175.db2.gz KNARYAXHPDIJDN-CMPLNLGQSA-N 0 3 337.376 1.825 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)N(C)C1 ZINC000343579583 445249684 /nfs/dbraw/zinc/24/96/84/445249684.db2.gz KDNFLUGJDQBGRD-NWDGAFQWSA-N 0 3 340.355 1.917 20 5 EDBDHN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000348214072 445318190 /nfs/dbraw/zinc/31/81/90/445318190.db2.gz KELTYXOQGQFNES-MRXNPFEDSA-N 0 3 332.404 1.726 20 5 EDBDHN O=C(CN1CCc2ccc([N+](=O)[O-])cc21)NC1CCN(C2CC2)CC1 ZINC000348255736 445329681 /nfs/dbraw/zinc/32/96/81/445329681.db2.gz TUAPUDSGWFBZMX-UHFFFAOYSA-N 0 3 344.415 1.700 20 5 EDBDHN CCOc1ccc(C(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000354701064 445345348 /nfs/dbraw/zinc/34/53/48/445345348.db2.gz FGEKZKXNRPOXFR-UHFFFAOYSA-N 0 3 337.376 1.180 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3c[nH]c4nccnc34)C2)nc1 ZINC000356131867 445637901 /nfs/dbraw/zinc/63/79/01/445637901.db2.gz URFDTQLQCBDUNQ-LBPRGKRZSA-N 0 3 339.359 1.899 20 5 EDBDHN CN(C)CCOCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353685583 445705875 /nfs/dbraw/zinc/70/58/75/445705875.db2.gz JBNXHIOYUGMTCZ-INIZCTEOSA-N 0 3 347.419 1.586 20 5 EDBDHN Cc1cc(NC[C@H](CO)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360275751 445671391 /nfs/dbraw/zinc/67/13/91/445671391.db2.gz SOFJMYQPCPVKTA-QWHCGFSZSA-N 0 3 331.372 1.930 20 5 EDBDHN CN1CC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1cccs1 ZINC000361154232 445751175 /nfs/dbraw/zinc/75/11/75/445751175.db2.gz NTWRKMVRRSPMNU-BXKDBHETSA-N 0 3 334.405 1.555 20 5 EDBDHN COc1ccc(NC(=O)Nc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000361829734 445987698 /nfs/dbraw/zinc/98/76/98/445987698.db2.gz ORWSMPLVJZSMHI-UHFFFAOYSA-N 0 3 348.363 2.006 20 5 EDBDHN COc1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1O ZINC000583317293 326048504 /nfs/dbraw/zinc/04/85/04/326048504.db2.gz CFZROPFVGFGRDZ-CYBMUJFWSA-N 0 3 348.355 1.839 20 5 EDBDHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000351503616 446108758 /nfs/dbraw/zinc/10/87/58/446108758.db2.gz SGVSYFPPTDUORO-SECBINFHSA-N 0 3 338.339 1.271 20 5 EDBDHN CN(C)CCN1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000369488661 446125427 /nfs/dbraw/zinc/12/54/27/446125427.db2.gz WIIYIDXDSWVPSM-UHFFFAOYSA-N 0 3 327.816 1.717 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[C@@H]1N1CCN(C)CC1 ZINC000362064150 446187942 /nfs/dbraw/zinc/18/79/42/446187942.db2.gz HRYSLVKIFBGNJR-STQMWFEESA-N 0 3 336.392 1.286 20 5 EDBDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2CCn1ccc([N+](=O)[O-])n1 ZINC000374791945 446395679 /nfs/dbraw/zinc/39/56/79/446395679.db2.gz GYJORRLTRJQDJV-AGUYFDCRSA-N 0 3 330.392 1.935 20 5 EDBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H]1CNCCO1 ZINC000420277940 446446246 /nfs/dbraw/zinc/44/62/46/446446246.db2.gz IPQBTFFSPPSODC-SNVBAGLBSA-N 0 3 327.312 1.311 20 5 EDBDHN Cc1cc(S(=O)(=O)N[C@@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000420441301 446616508 /nfs/dbraw/zinc/61/65/08/446616508.db2.gz IEQIXAINTWDOOL-LLVKDONJSA-N 0 3 335.332 1.179 20 5 EDBDHN CN1CC[C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@@H]21 ZINC000375233256 446659780 /nfs/dbraw/zinc/65/97/80/446659780.db2.gz JPMHKKIOIUPPBZ-YGRLFVJLSA-N 0 3 329.360 1.774 20 5 EDBDHN CCCC[C@H](CN)NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418778945 446697694 /nfs/dbraw/zinc/69/76/94/446697694.db2.gz JIOHBKWEAXQEKX-WCQYABFASA-N 0 3 336.392 1.406 20 5 EDBDHN C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000418786087 446701114 /nfs/dbraw/zinc/70/11/14/446701114.db2.gz RSHOQABESQEWQJ-XUJVJEKNSA-N 0 3 348.403 1.358 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411932499 446744417 /nfs/dbraw/zinc/74/44/17/446744417.db2.gz FVCVBGJPRSYXJG-JKSUJKDBSA-N 0 3 329.356 1.564 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000454157814 446793222 /nfs/dbraw/zinc/79/32/22/446793222.db2.gz YWWYNGWDDUZDJE-AWEZNQCLSA-N 0 3 336.392 1.872 20 5 EDBDHN CNc1nc(C(=O)NC[C@H](C)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000455100651 447050808 /nfs/dbraw/zinc/05/08/08/447050808.db2.gz NVEFJBCSPPAPFM-LBPRGKRZSA-N 0 3 335.408 1.882 20 5 EDBDHN CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372478036 447075682 /nfs/dbraw/zinc/07/56/82/447075682.db2.gz NBJIGUKLCSMQBB-UKRRQHHQSA-N 0 3 335.408 1.829 20 5 EDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377481222 447154012 /nfs/dbraw/zinc/15/40/12/447154012.db2.gz HUCSHFITKKTZCC-KGLIPLIRSA-N 0 3 348.403 1.376 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C[C@@H]2CCCN2C)c1F ZINC000421715534 447230977 /nfs/dbraw/zinc/23/09/77/447230977.db2.gz YAUJEFIGNWPJCH-NSHDSACASA-N 0 3 339.367 1.838 20 5 EDBDHN CNc1nc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000456062743 447291809 /nfs/dbraw/zinc/29/18/09/447291809.db2.gz LOWOGBAWSPCDNS-YWPYICTPSA-N 0 3 347.419 1.834 20 5 EDBDHN CCOCCOC[C@@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447598111 447280300 /nfs/dbraw/zinc/28/03/00/447280300.db2.gz GPGDMZYZXYZAQV-DOTOQJQBSA-N 0 3 338.404 1.976 20 5 EDBDHN COC(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C(C)C ZINC000429360704 447743188 /nfs/dbraw/zinc/74/31/88/447743188.db2.gz IGFMABCCSOGRPJ-ZFWWWQNUSA-N 0 3 337.376 1.276 20 5 EDBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451779006 447751798 /nfs/dbraw/zinc/75/17/98/447751798.db2.gz YZCUREVQVBIMPA-OLZOCXBDSA-N 0 3 335.360 1.515 20 5 EDBDHN Cc1nc(NCC(=O)NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000431484322 447809676 /nfs/dbraw/zinc/80/96/76/447809676.db2.gz LPGDSUJZNQWWEP-UHFFFAOYSA-N 0 3 335.408 1.702 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1C ZINC000525104924 447969318 /nfs/dbraw/zinc/96/93/18/447969318.db2.gz HPKHPWVKGSUFSP-WDEREUQCSA-N 0 3 335.360 1.579 20 5 EDBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)C1 ZINC000576491795 448068496 /nfs/dbraw/zinc/06/84/96/448068496.db2.gz OOPUQWFCFZHXHV-QGZVFWFLSA-N 0 3 347.371 1.881 20 5 EDBDHN COc1ccc(CC(=O)Nc2cnc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000591681346 448449374 /nfs/dbraw/zinc/44/93/74/448449374.db2.gz KBDVFDQHBBUNRF-UHFFFAOYSA-N 0 3 342.355 1.825 20 5 EDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000578764930 448631549 /nfs/dbraw/zinc/63/15/49/448631549.db2.gz WXEBDFYRQAKTQP-QGZVFWFLSA-N 0 3 344.371 1.263 20 5 EDBDHN CCc1ccc(S(=O)(=O)N[C@H]2CNCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000579238756 448750971 /nfs/dbraw/zinc/75/09/71/448750971.db2.gz WCXUVPVCGXPOIM-GWCFXTLKSA-N 0 3 327.406 1.434 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(OCC3CC3)nc2)c1 ZINC000568621595 448895701 /nfs/dbraw/zinc/89/57/01/448895701.db2.gz WVLGMIXQQRUZNB-OAHLLOKOSA-N 0 3 347.375 1.126 20 5 EDBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548091097 448982204 /nfs/dbraw/zinc/98/22/04/448982204.db2.gz NBDCARMDJCKQCT-CQSZACIVSA-N 0 3 343.387 1.912 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000574970124 449001420 /nfs/dbraw/zinc/00/14/20/449001420.db2.gz JMIYDFSIUMKHLE-NSHDSACASA-N 0 3 348.403 1.608 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592872992 449029352 /nfs/dbraw/zinc/02/93/52/449029352.db2.gz NXBKZEWUHPASOO-LBPRGKRZSA-N 0 3 334.376 1.095 20 5 EDBDHN O=C(CN[C@H](CO)C1CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595613876 449080357 /nfs/dbraw/zinc/08/03/57/449080357.db2.gz BNBHFQUNDUTTRY-GFCCVEGCSA-N 0 3 327.768 1.937 20 5 EDBDHN O=C(CN[C@@H](CO)C1CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595613878 449080398 /nfs/dbraw/zinc/08/03/98/449080398.db2.gz BNBHFQUNDUTTRY-LBPRGKRZSA-N 0 3 327.768 1.937 20 5 EDBDHN CNc1nccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000521988579 449037157 /nfs/dbraw/zinc/03/71/57/449037157.db2.gz LKHBASSUYHVVNG-VXGBXAGGSA-N 0 3 335.408 1.882 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000590044775 449099774 /nfs/dbraw/zinc/09/97/74/449099774.db2.gz NJIDQYMUTSZNDL-BBRMVZONSA-N 0 3 328.372 1.712 20 5 EDBDHN COC(=O)COc1ccc(CN2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590052463 449100298 /nfs/dbraw/zinc/10/02/98/449100298.db2.gz CEYNCZOROVQLPJ-ZFWWWQNUSA-N 0 3 349.387 1.283 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(C2(O)CC2)CC1 ZINC000593049941 449114415 /nfs/dbraw/zinc/11/44/15/449114415.db2.gz MZQSDDGLRIWXRX-CQSZACIVSA-N 0 3 336.388 1.571 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1COCCO1 ZINC000595736588 449138984 /nfs/dbraw/zinc/13/89/84/449138984.db2.gz MTOKGGSYEYWVCU-CQSZACIVSA-N 0 3 337.376 1.579 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000595738366 449139653 /nfs/dbraw/zinc/13/96/53/449139653.db2.gz RECXDVAUYYKSTP-ZNMIVQPWSA-N 0 3 336.392 1.845 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@](O)(C2CC2)C1 ZINC000595753577 449148334 /nfs/dbraw/zinc/14/83/34/449148334.db2.gz ZCPDOGWHWFBFDM-RHSMWYFYSA-N 0 3 336.388 1.571 20 5 EDBDHN CCN1C[C@@H](CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1=O ZINC000593689757 449149154 /nfs/dbraw/zinc/14/91/54/449149154.db2.gz RGKYINVZZIDJMT-LLVKDONJSA-N 0 3 337.376 1.570 20 5 EDBDHN Cc1c(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000590402478 449149999 /nfs/dbraw/zinc/14/99/99/449149999.db2.gz UVVAYQJCOPDOKL-CVEARBPZSA-N 0 3 333.388 1.838 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCc2ccc(O)cc2CC1 ZINC000611185935 449208215 /nfs/dbraw/zinc/20/82/15/449208215.db2.gz RVHLEOPHQNSAOC-UHFFFAOYSA-N 0 3 329.356 1.563 20 5 EDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)[C@H](CN)C(F)(F)F ZINC000595907366 449246207 /nfs/dbraw/zinc/24/62/07/449246207.db2.gz JTKXLCBMWVLIKM-GZMMTYOYSA-N 0 3 334.298 1.743 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000590776631 449290424 /nfs/dbraw/zinc/29/04/24/449290424.db2.gz GOQCKMZEWHOPRD-XHDPSFHLSA-N 0 3 347.371 1.548 20 5 EDBDHN CN(CCN1CCCCC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000593516032 449320511 /nfs/dbraw/zinc/32/05/11/449320511.db2.gz KYGYNKBGXBLEFX-UHFFFAOYSA-N 0 3 342.421 1.164 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000596048689 449336282 /nfs/dbraw/zinc/33/62/82/449336282.db2.gz BVYPNVDDZSGYGG-JTQLQIEISA-N 0 3 341.311 1.413 20 5 EDBDHN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCN(C)C ZINC000596055675 449339459 /nfs/dbraw/zinc/33/94/59/449339459.db2.gz LTVCBIZEDOTANA-UHFFFAOYSA-N 0 3 330.410 1.257 20 5 EDBDHN C[C@H]1C[C@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCN1C ZINC000596144465 449383863 /nfs/dbraw/zinc/38/38/63/449383863.db2.gz FDXVLRMKDPYMRQ-GXSJLCMTSA-N 0 3 328.394 1.137 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](n2ccnc2)C1 ZINC000612030436 449528114 /nfs/dbraw/zinc/52/81/14/449528114.db2.gz HDILVIJBGVJZRW-LSDHHAIUSA-N 0 3 346.387 1.868 20 5 EDBDHN COc1cccc([N+](=O)[O-])c1N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000594556283 449574979 /nfs/dbraw/zinc/57/49/79/449574979.db2.gz LYHUJOMBUKEZHU-CQSZACIVSA-N 0 3 334.420 1.820 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN([C@H]2CCOC2)CC1 ZINC000594495723 449556993 /nfs/dbraw/zinc/55/69/93/449556993.db2.gz USHITCYILPYYFF-INIZCTEOSA-N 0 3 335.404 1.946 20 5 EDBDHN O=[N+]([O-])c1ccc(CNCCCN2CCCS2(=O)=O)c(F)c1 ZINC000601137098 449710646 /nfs/dbraw/zinc/71/06/46/449710646.db2.gz SQFHHNWPRZCGJB-UHFFFAOYSA-N 0 3 331.369 1.249 20 5 EDBDHN Cn1nccc1[C@@H](CO)N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599054977 449712232 /nfs/dbraw/zinc/71/22/32/449712232.db2.gz LIQKOHSWOGWXFD-LSDHHAIUSA-N 0 3 330.388 1.973 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CC[NH2+]C23CCC3)c1[N+](=O)[O-] ZINC000599103189 449734582 /nfs/dbraw/zinc/73/45/82/449734582.db2.gz PKYZPRYADLCYMC-GFCCVEGCSA-N 0 3 339.417 1.775 20 5 EDBDHN CCC1(N2CCOCC2)CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000599182844 449783619 /nfs/dbraw/zinc/78/36/19/449783619.db2.gz DOVBLOQRNWPTBL-UHFFFAOYSA-N 0 3 335.408 1.653 20 5 EDBDHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000597204001 449868862 /nfs/dbraw/zinc/86/88/62/449868862.db2.gz BWKQKXFGWBRVFN-UHFFFAOYSA-N 0 3 326.372 1.186 20 5 EDBDHN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000595129567 449888070 /nfs/dbraw/zinc/88/80/70/449888070.db2.gz CYOMIQLOPYAIKY-AWEZNQCLSA-N 0 3 334.376 1.476 20 5 EDBDHN CS[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000601380467 449896587 /nfs/dbraw/zinc/89/65/87/449896587.db2.gz VNZUKZUEYNYEDD-RYUDHWBXSA-N 0 3 327.381 1.852 20 5 EDBDHN CN(C)CCn1cc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cn1 ZINC000608778913 449934303 /nfs/dbraw/zinc/93/43/03/449934303.db2.gz DZRFKUHHYXUWIZ-UHFFFAOYSA-N 0 3 344.375 1.981 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCCCN(C)C1 ZINC000599412194 449957790 /nfs/dbraw/zinc/95/77/90/449957790.db2.gz GZVWBGOHRCODKG-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN C[C@](CO)(NC[C@@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000602961460 449961966 /nfs/dbraw/zinc/96/19/66/449961966.db2.gz ADMFQVBLOOIIOY-ZWKOTPCHSA-N 0 3 330.384 1.996 20 5 EDBDHN COCCN1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609354240 450018709 /nfs/dbraw/zinc/01/87/09/450018709.db2.gz YKFVBRSTDUEMQW-ZDUSSCGKSA-N 0 3 337.376 1.176 20 5 EDBDHN C[C@@](CO)(NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000609483836 450035632 /nfs/dbraw/zinc/03/56/32/450035632.db2.gz JVVKSUZJKCKXGE-WMZOPIPTSA-N 0 3 346.383 1.832 20 5 EDBDHN CO[C@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@H]1CCOC1 ZINC000595371013 450084867 /nfs/dbraw/zinc/08/48/67/450084867.db2.gz MYDPVPKBMCAANC-VNHYZAJKSA-N 0 3 336.392 1.528 20 5 EDBDHN C[NH+](C)CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000610264321 450175302 /nfs/dbraw/zinc/17/53/02/450175302.db2.gz MBGAZYFTRYDPEM-LBPRGKRZSA-N 0 3 344.437 1.635 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)n1 ZINC000610484828 450238885 /nfs/dbraw/zinc/23/88/85/450238885.db2.gz AHUBUOMYNRHAFL-HUUCEWRRSA-N 0 3 327.388 1.860 20 5 EDBDHN Cc1[nH]nc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000610764799 450327622 /nfs/dbraw/zinc/32/76/22/450327622.db2.gz TYSWFSYSMPSABL-LLVKDONJSA-N 0 3 345.359 1.596 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000184387449 533904731 /nfs/dbraw/zinc/90/47/31/533904731.db2.gz RXIQRVIDKONMPH-SBJJXXPASA-N 0 3 346.431 1.750 20 5 EDBDHN CN(C)CCOc1ccc(CCNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000264181016 535903400 /nfs/dbraw/zinc/90/34/00/535903400.db2.gz ZCSMCZCBHVYNPR-UHFFFAOYSA-N 0 3 346.391 1.562 20 5 EDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000246663533 536470023 /nfs/dbraw/zinc/47/00/23/536470023.db2.gz LTRGFXOPGJLJPC-UONOGXRCSA-N 0 3 333.388 1.916 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353030704 536477157 /nfs/dbraw/zinc/47/71/57/536477157.db2.gz AXKBRVJCTZKZOO-JQWIXIFHSA-N 0 3 340.401 1.988 20 5 EDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000742075075 579434314 /nfs/dbraw/zinc/43/43/14/579434314.db2.gz RJSCKQVKHCHZQK-QGZVFWFLSA-N 0 3 347.415 1.897 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H](O)c2cccc(Cl)c2)c1 ZINC000743261551 579474391 /nfs/dbraw/zinc/47/43/91/579474391.db2.gz VCHSALMWWTXDOG-UONOGXRCSA-N 0 3 340.767 1.129 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000725897733 578302294 /nfs/dbraw/zinc/30/22/94/578302294.db2.gz UKAJCHVAJZRZMB-ZIAGYGMSSA-N 0 3 345.355 1.934 20 5 EDBDHN C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000774708178 580371579 /nfs/dbraw/zinc/37/15/79/580371579.db2.gz RLJUIMCXCUWRDU-MELADBBJSA-N 0 3 348.403 1.818 20 5 EDBDHN COc1ccccc1[C@H](O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279650 580413931 /nfs/dbraw/zinc/41/39/31/580413931.db2.gz YKZOXQUQJVMQKZ-JKSUJKDBSA-N 0 3 332.356 1.960 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778295971 580461152 /nfs/dbraw/zinc/46/11/52/580461152.db2.gz YVBCSIPHHLLMHE-SECBINFHSA-N 0 3 335.389 1.671 20 5 EDBDHN CN(CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000781609832 580553284 /nfs/dbraw/zinc/55/32/84/580553284.db2.gz FPAQJCNYQVBFLI-UHFFFAOYSA-N 0 3 336.348 1.646 20 5 EDBDHN C[C@@H]1CCCN1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000783920725 580608477 /nfs/dbraw/zinc/60/84/77/580608477.db2.gz OCXVMISOUUMZSF-CYBMUJFWSA-N 0 3 343.387 1.995 20 5 EDBDHN C[NH+](C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000784724858 580627251 /nfs/dbraw/zinc/62/72/51/580627251.db2.gz SQKNECQPFCUATB-GHMZBOCLSA-N 0 3 331.369 1.495 20 5 EDBDHN C[C@H]1CN(C2CCOCC2)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785974806 580657138 /nfs/dbraw/zinc/65/71/38/580657138.db2.gz FFCKAUBRVBKXJB-KBXCAEBGSA-N 0 3 349.431 1.813 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC1(OCCO)CCOCC1 ZINC000894261241 591253758 /nfs/dbraw/zinc/25/37/58/591253758.db2.gz KCTWVNPXYFLWEX-UHFFFAOYSA-N 0 3 344.795 1.896 20 5 EDBDHN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CN2CCN1CCC2 ZINC000898462176 591363554 /nfs/dbraw/zinc/36/35/54/591363554.db2.gz NGHXIALBVIXHEY-OAHLLOKOSA-N 0 3 341.371 1.471 20 5 EDBDHN CCOC(=O)c1ccnc(N2C[C@@]3(C)CN(C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000894796822 591420089 /nfs/dbraw/zinc/42/00/89/591420089.db2.gz FDKWXJWDLURCLL-CALCHBBNSA-N 0 3 348.403 1.945 20 5 EDBDHN Cc1nn(C)c(C(=O)N2CCN(c3ccncc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000895274290 591695346 /nfs/dbraw/zinc/69/53/46/591695346.db2.gz HUPBVCPSZVFZPH-NSHDSACASA-N 0 3 344.375 1.383 20 5 EDBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000902641070 592034811 /nfs/dbraw/zinc/03/48/11/592034811.db2.gz URRMUVWLOPPKRU-IAGOWNOFSA-N 0 3 345.403 1.433 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CCN1C ZINC000906797342 592348642 /nfs/dbraw/zinc/34/86/42/592348642.db2.gz HIOMTSWYLOFSBF-NWDGAFQWSA-N 0 3 349.387 1.969 20 5 EDBDHN C[C@@H]1C[C@]2(CC[C@H](CNC[C@H](O)c3ccc([N+](=O)[O-])cc3)O2)CO1 ZINC000905484139 592539512 /nfs/dbraw/zinc/53/95/12/592539512.db2.gz GNVWKVYDBFEQKV-VDNDLQMASA-N 0 3 336.388 1.944 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000907548060 592702411 /nfs/dbraw/zinc/70/24/11/592702411.db2.gz KIUMNGRUGALILR-DOMZBBRYSA-N 0 3 339.417 1.475 20 5 EDBDHN CN1CC[C@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906360378 592804865 /nfs/dbraw/zinc/80/48/65/592804865.db2.gz WCQOSWMPOPBOFL-LLVKDONJSA-N 0 3 335.360 1.438 20 5 EDBDHN CO[C@@H]1COC[C@@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839199452 593275781 /nfs/dbraw/zinc/27/57/81/593275781.db2.gz AJMDDDQTXYOELQ-QWHCGFSZSA-N 0 3 327.312 1.066 20 5 EDBDHN CC(COC(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000813112735 593518886 /nfs/dbraw/zinc/51/88/86/593518886.db2.gz KDHSNSUJDXQYKI-RYUDHWBXSA-N 0 3 346.380 1.611 20 5 EDBDHN O=C(CNC[C@H]1CCCO1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000818432989 593697907 /nfs/dbraw/zinc/69/79/07/593697907.db2.gz HEUOYQPVICFYGW-GFCCVEGCSA-N 0 3 327.768 1.633 20 5 EDBDHN O=C(NCCNC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000818955789 593730399 /nfs/dbraw/zinc/73/03/99/593730399.db2.gz DXAGSHKYQHJNFX-HNNXBMFYSA-N 0 3 330.344 1.043 20 5 EDBDHN CS(=O)(=O)C1(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819307624 593749752 /nfs/dbraw/zinc/74/97/52/593749752.db2.gz BNOGHSOASOSPLB-AWEZNQCLSA-N 0 3 342.417 1.575 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000819310674 593749956 /nfs/dbraw/zinc/74/99/56/593749956.db2.gz CQKRINTXPPVSTQ-BXUZGUMPSA-N 0 3 328.390 1.043 20 5 EDBDHN C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCSC1 ZINC000821581675 593868181 /nfs/dbraw/zinc/86/81/81/593868181.db2.gz RWWCTBAODZMLCF-CQSZACIVSA-N 0 3 349.420 1.624 20 5 EDBDHN C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCSC1 ZINC000821581675 593868182 /nfs/dbraw/zinc/86/81/82/593868182.db2.gz RWWCTBAODZMLCF-CQSZACIVSA-N 0 3 349.420 1.624 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)CCO2 ZINC000823926609 593889179 /nfs/dbraw/zinc/88/91/79/593889179.db2.gz DPPIDYJTHJLLFP-UHFFFAOYSA-N 0 3 349.391 1.506 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000820984522 593935933 /nfs/dbraw/zinc/93/59/33/593935933.db2.gz DCIVIVLLSCTWHL-GVDBMIGSSA-N 0 3 347.415 1.661 20 5 EDBDHN C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000825079206 594127180 /nfs/dbraw/zinc/12/71/80/594127180.db2.gz NXTCSHLSBLSCGK-DVOMOZLQSA-N 0 3 335.404 1.865 20 5 EDBDHN CC(C)(C)N1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825505763 594194148 /nfs/dbraw/zinc/19/41/48/594194148.db2.gz ULJOMTMJNKRBBB-OAHLLOKOSA-N 0 3 335.404 1.961 20 5 EDBDHN Cc1ccc(N2CCN([C@H]3CCNC(=O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000829352276 594601197 /nfs/dbraw/zinc/60/11/97/594601197.db2.gz BFIALPHXBPPODN-CQSZACIVSA-N 0 3 332.404 1.694 20 5 EDBDHN COc1cc(C(=O)N2C[C@@H]3CCN(C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000832224844 594736597 /nfs/dbraw/zinc/73/65/97/594736597.db2.gz HJDSDXSQTNHWPN-WDEREUQCSA-N 0 3 337.351 1.766 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000832690428 594769283 /nfs/dbraw/zinc/76/92/83/594769283.db2.gz GXTXJCQGXZUAJM-IINYFYTJSA-N 0 3 334.332 1.588 20 5 EDBDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000841193587 594866216 /nfs/dbraw/zinc/86/62/16/594866216.db2.gz BANUEHPWGBRRKM-JTQLQIEISA-N 0 3 340.355 1.615 20 5 EDBDHN Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CNCc4ccccc43)n2)n1C ZINC000843222838 595043109 /nfs/dbraw/zinc/04/31/09/595043109.db2.gz VZMRENNNAUAXOC-LBPRGKRZSA-N 0 3 340.343 1.922 20 5 EDBDHN CC(COC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1)[N+](=O)[O-] ZINC000842363351 595086949 /nfs/dbraw/zinc/08/69/49/595086949.db2.gz GNLTVZZYFARLEC-JTQLQIEISA-N 0 3 327.358 1.835 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC2([NH3+])CCC2)c1 ZINC000842758670 595190483 /nfs/dbraw/zinc/19/04/83/595190483.db2.gz LLVOWTHFLXLWHD-UHFFFAOYSA-N 0 3 333.797 1.716 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000842813964 595207492 /nfs/dbraw/zinc/20/74/92/595207492.db2.gz BPRKBTQMLMRFNX-UWVGGRQHSA-N 0 3 347.824 1.975 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000842833971 595212103 /nfs/dbraw/zinc/21/21/03/595212103.db2.gz PBRBAVBJMCVXIG-MWLCHTKSSA-N 0 3 347.824 1.833 20 5 EDBDHN C[C@H](OC(=O)C1CCCN(C)C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000837953709 595238538 /nfs/dbraw/zinc/23/85/38/595238538.db2.gz LEWVBVQYQHEHSA-GXFFZTMASA-N 0 3 349.343 1.333 20 5 EDBDHN Cc1cccc([C@@H](O)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000843088407 595284073 /nfs/dbraw/zinc/28/40/73/595284073.db2.gz NFSNZSCHVDHBSR-AEFFLSMTSA-N 0 3 346.383 1.966 20 5 EDBDHN Cc1cccc([C@@H](O)CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000843086429 595284112 /nfs/dbraw/zinc/28/41/12/595284112.db2.gz GDDOFIZGUCEIAL-RDJZCZTQSA-N 0 3 346.383 1.966 20 5 EDBDHN CC[C@H]1CN(C)CCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000846970131 595344622 /nfs/dbraw/zinc/34/46/22/595344622.db2.gz HHFDAFAKDZECNO-AWEZNQCLSA-N 0 3 345.403 1.887 20 5 EDBDHN O=C([N-]CC1=CC[NH2+]CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766224 595601038 /nfs/dbraw/zinc/60/10/38/595601038.db2.gz OFMULBUJWNXLIO-UHFFFAOYSA-N 0 3 327.287 1.602 20 5 EDBDHN CN(CC1CN(C)C1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853555454 595799392 /nfs/dbraw/zinc/79/93/92/595799392.db2.gz WJOCJXVLQBDTCE-MRXNPFEDSA-N 0 3 332.404 1.362 20 5 EDBDHN C[C@@H]1CO[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000851416989 595799536 /nfs/dbraw/zinc/79/95/36/595799536.db2.gz VZZGCYZTSWPCEJ-DTZQCDIJSA-N 0 3 334.372 1.484 20 5 EDBDHN CCCN1CC[C@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000856073180 595888235 /nfs/dbraw/zinc/88/82/35/595888235.db2.gz KSYSIBFHBBQBSW-LRDDRELGSA-N 0 3 346.387 1.688 20 5 EDBDHN CC[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C[C@H](C)N1 ZINC000856408121 595980053 /nfs/dbraw/zinc/98/00/53/595980053.db2.gz FRCVJDCYTJMLQT-HWWQOWPSSA-N 0 3 346.387 1.687 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCN1 ZINC000856489560 596004058 /nfs/dbraw/zinc/00/40/58/596004058.db2.gz OURSWKYSIAWJCS-CYBMUJFWSA-N 0 3 338.383 1.870 20 5 EDBDHN COC(=O)N(C)CCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000852568353 596198864 /nfs/dbraw/zinc/19/88/64/596198864.db2.gz AFDQTSFHVFULNA-UHFFFAOYSA-N 0 3 338.364 1.553 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCN3C)C2)c([N+](=O)[O-])s1 ZINC000867811436 596563478 /nfs/dbraw/zinc/56/34/78/596563478.db2.gz PQFHGRUKXQRORP-QWRGUYRKSA-N 0 3 345.446 1.679 20 5 EDBDHN Cc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000868217888 596729856 /nfs/dbraw/zinc/72/98/56/596729856.db2.gz VULXMXLHYQYQOY-LSDHHAIUSA-N 0 3 348.403 1.566 20 5 EDBDHN COc1cccc([C@@H]2CN(CCn3c(C)ncc3[N+](=O)[O-])CCN2)c1 ZINC000879522736 597615970 /nfs/dbraw/zinc/61/59/70/597615970.db2.gz LKFWIOUKFCAVID-INIZCTEOSA-N 0 3 345.403 1.755 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000915621022 695957913 /nfs/dbraw/zinc/95/79/13/695957913.db2.gz GRACSVDUULQTLN-HNNXBMFYSA-N 0 3 348.403 1.671 20 5 EDBDHN O=C(NCC1CN(Cc2cccc(C(F)F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031663097 697440216 /nfs/dbraw/zinc/44/02/16/697440216.db2.gz TVLNJHPDFVMMMP-ZIAGYGMSSA-N 0 3 339.342 1.837 20 5 EDBDHN O=C(Cn1ccnc1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000997413863 703668565 /nfs/dbraw/zinc/66/85/65/703668565.db2.gz RDFKKBDFDVZJMY-UHFFFAOYSA-N 0 3 349.416 1.634 20 5 EDBDHN COc1cc(CNC[C@@]2(OC)CCSC2)c([N+](=O)[O-])cc1O ZINC000922571958 704013550 /nfs/dbraw/zinc/01/35/50/704013550.db2.gz QASKDBBGIFLQND-AWEZNQCLSA-N 0 3 328.390 1.921 20 5 EDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)S(C)(=O)=O ZINC000056988332 214398836 /nfs/dbraw/zinc/39/88/36/214398836.db2.gz OJUAJLNLNJTOJQ-LLVKDONJSA-N 0 3 328.390 1.765 20 5 EDBDHN CN(CC1CCN(C)CC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131177956 529866007 /nfs/dbraw/zinc/86/60/07/529866007.db2.gz SHKITAGCQQUREJ-UHFFFAOYSA-N 0 3 341.433 1.698 20 5 EDBDHN Cc1c([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000183472030 235096596 /nfs/dbraw/zinc/09/65/96/235096596.db2.gz XPNKYTXEMHSMFX-YPMHNXCESA-N 0 3 334.376 1.727 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078650838 138258448 /nfs/dbraw/zinc/25/84/48/138258448.db2.gz IVCBROZPPKAHTA-VXGBXAGGSA-N 0 3 339.779 1.841 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187214763 236148154 /nfs/dbraw/zinc/14/81/54/236148154.db2.gz CLNSOICOZGSACA-PXAZEXFGSA-N 0 3 345.403 1.907 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CO)CC(F)(F)F)c1 ZINC000564083986 306355398 /nfs/dbraw/zinc/35/53/98/306355398.db2.gz FCBWFRHLSVAZOI-KOLCDFICSA-N 0 3 338.282 1.237 20 5 EDBDHN COc1cccc(C(=O)NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000192592660 237483245 /nfs/dbraw/zinc/48/32/45/237483245.db2.gz SLXVEUWLEGQFII-UHFFFAOYSA-N 0 3 337.376 1.180 20 5 EDBDHN Cn1cc2c(n1)CCC[C@@H]2NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567105082 306437948 /nfs/dbraw/zinc/43/79/48/306437948.db2.gz PLXONTOLQZWBRF-BBRMVZONSA-N 0 3 346.387 1.735 20 5 EDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000195313137 139013565 /nfs/dbraw/zinc/01/35/65/139013565.db2.gz PJQNNFICNDYTHD-UHFFFAOYSA-N 0 3 332.404 1.997 20 5 EDBDHN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235430156 139026156 /nfs/dbraw/zinc/02/61/56/139026156.db2.gz ALVHZYKJVQUENT-SCZZXKLOSA-N 0 3 333.797 1.667 20 5 EDBDHN CCOCCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000110923817 220080825 /nfs/dbraw/zinc/08/08/25/220080825.db2.gz NKUREOKCWJUNSD-UHFFFAOYSA-N 0 3 347.375 1.265 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@H]1CCC[NH2+]C1 ZINC000237769083 139059987 /nfs/dbraw/zinc/05/99/87/139059987.db2.gz YQPIOBVAAFQCAN-SNVBAGLBSA-N 0 3 347.824 1.916 20 5 EDBDHN Cc1nn(C)c(C(=O)Nc2ccc3c(c2F)CCNC3)c1[N+](=O)[O-] ZINC000261796458 139226911 /nfs/dbraw/zinc/22/69/11/139226911.db2.gz VCEVZSMJANSAHU-UHFFFAOYSA-N 0 3 333.323 1.674 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000262266590 139264916 /nfs/dbraw/zinc/26/49/16/139264916.db2.gz RWOXJIRHRFLUDQ-UONOGXRCSA-N 0 3 329.360 1.053 20 5 EDBDHN CC1(C)CCC[NH2+][C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262426754 139278359 /nfs/dbraw/zinc/27/83/59/139278359.db2.gz FMPDTTQRRPQPSQ-CYBMUJFWSA-N 0 3 327.406 1.651 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424413605 252217739 /nfs/dbraw/zinc/21/77/39/252217739.db2.gz FVSOZZOSSAVIRA-UONOGXRCSA-N 0 3 344.375 1.595 20 5 EDBDHN CCN(CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CC1 ZINC000263685861 139352762 /nfs/dbraw/zinc/35/27/62/139352762.db2.gz GFSHKMIKYAMJAE-UHFFFAOYSA-N 0 3 335.360 1.596 20 5 EDBDHN CN(CC1CCN(C)CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264069837 139378951 /nfs/dbraw/zinc/37/89/51/139378951.db2.gz BHVHMMNGYRCOLR-UHFFFAOYSA-N 0 3 341.433 1.698 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154686723 224290590 /nfs/dbraw/zinc/29/05/90/224290590.db2.gz PSRKGZIVTAJYTA-DOMZBBRYSA-N 0 3 341.433 1.697 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C1CCS(=O)(=O)CC1 ZINC000187162630 533222994 /nfs/dbraw/zinc/22/29/94/533222994.db2.gz PQUHVAKRTONAOL-LLVKDONJSA-N 0 3 342.417 1.906 20 5 EDBDHN NC[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000415835078 304279578 /nfs/dbraw/zinc/27/95/78/304279578.db2.gz JECSHPGYHPQBDW-ZDUSSCGKSA-N 0 3 338.339 1.306 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1F ZINC000271517846 140306160 /nfs/dbraw/zinc/30/61/60/140306160.db2.gz ZOYSOUCPPLEDHI-MFKMUULPSA-N 0 3 345.396 1.613 20 5 EDBDHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331634570 141059875 /nfs/dbraw/zinc/05/98/75/141059875.db2.gz IXCHZCJNKCDVLI-RDJZCZTQSA-N 0 3 333.388 1.625 20 5 EDBDHN COC(=O)c1cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1 ZINC000346329515 143192501 /nfs/dbraw/zinc/19/25/01/143192501.db2.gz RWNKIZDXUXFYNF-QGZVFWFLSA-N 0 3 347.371 1.549 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N(C)C1 ZINC000346697197 143233288 /nfs/dbraw/zinc/23/32/88/143233288.db2.gz AWBFBBOJZKIDRH-QWHCGFSZSA-N 0 3 346.387 1.867 20 5 EDBDHN C[C@H]1[C@H](N(C)CCO)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000347185830 143292471 /nfs/dbraw/zinc/29/24/71/143292471.db2.gz YFMJCOPWMAWLBG-MEDUHNTESA-N 0 3 346.387 1.603 20 5 EDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCNc1ccncc1 ZINC000351137285 143563829 /nfs/dbraw/zinc/56/38/29/143563829.db2.gz AOWGKDVSOQRJKL-UHFFFAOYSA-N 0 3 343.387 1.832 20 5 EDBDHN CCOC(=O)c1ccnc(N2CCNC[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000420258358 285969308 /nfs/dbraw/zinc/96/93/08/285969308.db2.gz GCQNFBRJIUYMSO-CQSZACIVSA-N 0 3 326.328 1.304 20 5 EDBDHN COC(=O)COc1ccc(CNCCc2ccccn2)cc1[N+](=O)[O-] ZINC000353734295 149507131 /nfs/dbraw/zinc/50/71/31/149507131.db2.gz DMEGYQCBSDUTDI-UHFFFAOYSA-N 0 3 345.355 1.874 20 5 EDBDHN O=[N+]([O-])c1cnn(CCc2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)c1 ZINC000357934649 151201893 /nfs/dbraw/zinc/20/18/93/151201893.db2.gz LFUALJVYENOQCJ-RYUDHWBXSA-N 0 3 345.363 1.272 20 5 EDBDHN Cc1nn(C)c(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)c1[N+](=O)[O-] ZINC000357948331 151207472 /nfs/dbraw/zinc/20/74/72/151207472.db2.gz MLTHVMWVTAXQQO-UWVGGRQHSA-N 0 3 345.363 1.542 20 5 EDBDHN O=[N+]([O-])c1cnn(Cc2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)c1 ZINC000357953906 151209346 /nfs/dbraw/zinc/20/93/46/151209346.db2.gz USUMWIDDWDMNNB-QWRGUYRKSA-N 0 3 331.336 1.078 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)CCC[NH3+] ZINC000336864580 286250003 /nfs/dbraw/zinc/25/00/03/286250003.db2.gz HNQXKHBBNSPCNC-UHFFFAOYSA-N 0 3 331.394 1.399 20 5 EDBDHN O=C(CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCC(F)F ZINC000360922441 152252721 /nfs/dbraw/zinc/25/27/21/152252721.db2.gz QBGBFLVCEGMICY-UWVGGRQHSA-N 0 3 331.323 1.246 20 5 EDBDHN NC(=O)c1ccc(CN2CCC[C@H](c3nc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000363642250 153020145 /nfs/dbraw/zinc/02/01/45/153020145.db2.gz XSOCNCITGHWYRT-LBPRGKRZSA-N 0 3 330.348 1.191 20 5 EDBDHN COc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1C ZINC000364570937 153275030 /nfs/dbraw/zinc/27/50/30/153275030.db2.gz AHKPBTJZDJBKLN-KGLIPLIRSA-N 0 3 349.387 1.505 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[NH2+]CC2)cc1C ZINC000364807270 153339175 /nfs/dbraw/zinc/33/91/75/153339175.db2.gz DWJHLNUVFIDDPT-LBPRGKRZSA-N 0 3 327.406 1.632 20 5 EDBDHN NC(=O)[C@]1(O)CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000367491931 154146480 /nfs/dbraw/zinc/14/64/80/154146480.db2.gz BDMLRKBUYCLCRM-KRWDZBQOSA-N 0 3 345.355 1.667 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1Cn1cncn1 ZINC000371689483 156063989 /nfs/dbraw/zinc/06/39/89/156063989.db2.gz PPBFVGCSTKVLFP-KGLIPLIRSA-N 0 3 347.375 1.091 20 5 EDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])nn2C)Cc2ccccc2C1 ZINC000357054538 162281398 /nfs/dbraw/zinc/28/13/98/162281398.db2.gz UHCCPOYJDJVLKO-UHFFFAOYSA-N 0 3 343.387 1.157 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCN3CCOCC3)C2)nc1 ZINC000072665176 287255290 /nfs/dbraw/zinc/25/52/90/287255290.db2.gz CDQCMIZFMUFPAY-CQSZACIVSA-N 0 3 335.408 1.198 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000124270222 287396740 /nfs/dbraw/zinc/39/67/40/287396740.db2.gz HQKSESQXAXJMJL-UHFFFAOYSA-N 0 3 348.403 1.704 20 5 EDBDHN COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123230698 222238825 /nfs/dbraw/zinc/23/88/25/222238825.db2.gz YNIPUFQLQZBZAC-UHFFFAOYSA-N 0 3 346.387 1.841 20 5 EDBDHN COc1cc(C(=O)NCC2(N(C)C)CCC2)cc([N+](=O)[O-])c1OC ZINC000276064298 273145899 /nfs/dbraw/zinc/14/58/99/273145899.db2.gz VMEGUXYMASOOIT-UHFFFAOYSA-N 0 3 337.376 1.826 20 5 EDBDHN CC[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C[C@@H](C)O ZINC000277903301 273233169 /nfs/dbraw/zinc/23/31/69/273233169.db2.gz RMDSUTXWKJWQOQ-VXGBXAGGSA-N 0 3 333.392 1.753 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCN([C@H]3CCC[C@@H]3O)CC2)s1 ZINC000367418876 275034169 /nfs/dbraw/zinc/03/41/69/275034169.db2.gz LYOIAVIVZZJHIK-RYUDHWBXSA-N 0 3 349.416 1.635 20 5 EDBDHN CC(C)[C@H](CCO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161928500 275697584 /nfs/dbraw/zinc/69/75/84/275697584.db2.gz JNYWKEHPHJAEFZ-AWEZNQCLSA-N 0 3 330.406 1.365 20 5 EDBDHN CN(C)CCO[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347456622 276792182 /nfs/dbraw/zinc/79/21/82/276792182.db2.gz WYWBFPGDBZPODN-GFCCVEGCSA-N 0 3 331.376 1.695 20 5 EDBDHN COC(=O)N1CCC[C@@H]([C@@H](C)NCc2c([N+](=O)[O-])ncn2C)C1 ZINC000495512293 277334436 /nfs/dbraw/zinc/33/44/36/277334436.db2.gz IVWBUFRXIVQIOP-GHMZBOCLSA-N 0 3 325.369 1.285 20 5 EDBDHN Cc1nn(C)c(N2CCN(C3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000374254252 279198255 /nfs/dbraw/zinc/19/82/55/279198255.db2.gz CWOJWCWZRBHOCM-GFCCVEGCSA-N 0 3 336.440 1.241 20 5 EDBDHN CN(C)CCN(Cc1cccs1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290842561 288962439 /nfs/dbraw/zinc/96/24/39/288962439.db2.gz WGUIGWVKWYURFI-UHFFFAOYSA-N 0 3 349.416 1.718 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000291821546 289189279 /nfs/dbraw/zinc/18/92/79/289189279.db2.gz FFSUPQRQYYMODR-OAHLLOKOSA-N 0 3 339.417 1.620 20 5 EDBDHN CCOC(=O)c1ccnc(N2CC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000292320020 289315910 /nfs/dbraw/zinc/31/59/10/289315910.db2.gz OTYVPOYYSHHEJL-MRXNPFEDSA-N 0 3 334.376 1.699 20 5 EDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248752415 290240027 /nfs/dbraw/zinc/24/00/27/290240027.db2.gz VDKSZPNNVYDETC-WFASDCNBSA-N 0 3 339.417 1.700 20 5 EDBDHN Cc1c(CNC(=O)C(=O)N[C@H](CN)C2CCCC2)cccc1[N+](=O)[O-] ZINC000419762384 304681444 /nfs/dbraw/zinc/68/14/44/304681444.db2.gz RYJUHMZWHHYJDO-CQSZACIVSA-N 0 3 348.403 1.153 20 5 EDBDHN Cc1cc(OCC(=O)NC[C@@](C)(O)CCN(C)C)ccc1[N+](=O)[O-] ZINC000419999298 304724452 /nfs/dbraw/zinc/72/44/52/304724452.db2.gz OGFQDEDJRZPROE-INIZCTEOSA-N 0 3 339.392 1.101 20 5 EDBDHN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294110369 303064327 /nfs/dbraw/zinc/06/43/27/303064327.db2.gz JZWSRPKGTOWJEY-MNOVXSKESA-N 0 3 327.406 1.652 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000294146473 303069118 /nfs/dbraw/zinc/06/91/18/303069118.db2.gz RCVSERRHUDMGJT-UHFFFAOYSA-N 0 3 332.364 1.404 20 5 EDBDHN C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000296738923 303334443 /nfs/dbraw/zinc/33/44/43/303334443.db2.gz OSXHVYPMNGDLLW-CYBMUJFWSA-N 0 3 332.404 1.949 20 5 EDBDHN O=c1c([N+](=O)[O-])c(N2CC[C@H](N3CCCC3)C2)nc2ccccn12 ZINC000301142558 303663042 /nfs/dbraw/zinc/66/30/42/303663042.db2.gz GVTXEXZACVDSIO-LBPRGKRZSA-N 0 3 329.360 1.277 20 5 EDBDHN CCc1ccccc1[C@@H](N)CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000423989137 304923008 /nfs/dbraw/zinc/92/30/08/304923008.db2.gz YGOJWSCKYAYFLB-AWEZNQCLSA-N 0 3 331.376 1.478 20 5 EDBDHN CC1CCN(C[C@H](O)CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000427382303 304989950 /nfs/dbraw/zinc/98/99/50/304989950.db2.gz CYZPFKWCAZLFDH-CYBMUJFWSA-N 0 3 336.392 1.198 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1 ZINC000433961882 305115849 /nfs/dbraw/zinc/11/58/49/305115849.db2.gz WQNAMBWPVMVVHO-CQSZACIVSA-N 0 3 335.404 1.726 20 5 EDBDHN O=C(CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCC(F)(F)F ZINC000447542163 305281756 /nfs/dbraw/zinc/28/17/56/305281756.db2.gz OBDFQXQJFBXZBQ-NXEZZACHSA-N 0 3 349.313 1.543 20 5 EDBDHN COc1ccc(OCCN[C@@H](CO)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447910391 305288685 /nfs/dbraw/zinc/28/86/85/305288685.db2.gz CZLUNDIYLNGVFY-GXTWGEPZSA-N 0 3 326.349 1.112 20 5 EDBDHN CC(C)NS(=O)(=O)CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449133494 305307272 /nfs/dbraw/zinc/30/72/72/305307272.db2.gz YSCQOEJEXCXXIW-GFCCVEGCSA-N 0 3 329.422 1.443 20 5 EDBDHN O=C(CCN1CC[C@@](O)(C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451424314 305345247 /nfs/dbraw/zinc/34/52/47/305345247.db2.gz GCEYHDJURLRHNT-AWEZNQCLSA-N 0 3 329.303 1.625 20 5 EDBDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451621851 305356659 /nfs/dbraw/zinc/35/66/59/305356659.db2.gz ASDHGOJCKODWJL-BXKDBHETSA-N 0 3 337.332 1.419 20 5 EDBDHN CNc1nc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456043913 305450636 /nfs/dbraw/zinc/45/06/36/305450636.db2.gz KIPQIVLVNYSZRB-WCQYABFASA-N 0 3 333.392 1.730 20 5 EDBDHN CN1CCN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000532392745 305982793 /nfs/dbraw/zinc/98/27/93/305982793.db2.gz NHTZZAIYTZNITG-UHFFFAOYSA-N 0 3 347.419 1.089 20 5 EDBDHN COc1cc(OCC(=O)NC[C@@H](C)N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000057705619 441128217 /nfs/dbraw/zinc/12/82/17/441128217.db2.gz ANBSVXYRETXXMU-LLVKDONJSA-N 0 3 337.376 1.581 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000063115796 441315236 /nfs/dbraw/zinc/31/52/36/441315236.db2.gz DPGKOOVHCBDLID-WCQYABFASA-N 0 3 346.387 1.066 20 5 EDBDHN COc1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000108300237 441441516 /nfs/dbraw/zinc/44/15/16/441441516.db2.gz ZYXANDJNRJAFRK-GFCCVEGCSA-N 0 3 349.387 1.826 20 5 EDBDHN CN1CCC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000108328575 441443966 /nfs/dbraw/zinc/44/39/66/441443966.db2.gz VVFKOMKSMVKJBO-CYBMUJFWSA-N 0 3 343.387 1.852 20 5 EDBDHN Cc1cc(N2CCC[C@@H](CN3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000074747440 441462403 /nfs/dbraw/zinc/46/24/03/441462403.db2.gz QEHZETPXULCLKP-HNNXBMFYSA-N 0 3 333.436 1.762 20 5 EDBDHN COC(=O)c1cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000113230663 441590813 /nfs/dbraw/zinc/59/08/13/441590813.db2.gz FLZGHEOZELFKOM-BXUZGUMPSA-N 0 3 347.371 1.690 20 5 EDBDHN COc1ccc(CC(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000067924292 441697287 /nfs/dbraw/zinc/69/72/87/441697287.db2.gz DQTQMDJYKOGTAE-AWEZNQCLSA-N 0 3 333.388 1.843 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121475655 441713329 /nfs/dbraw/zinc/71/33/29/441713329.db2.gz IMECKFZZCWSBJS-ZDUSSCGKSA-N 0 3 348.403 1.751 20 5 EDBDHN COc1ccc(OCCN2C[C@H](C(N)=O)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000173661064 441817785 /nfs/dbraw/zinc/81/77/85/441817785.db2.gz CZSLIKDAHUOPMV-NWDGAFQWSA-N 0 3 337.376 1.568 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160236516 441868335 /nfs/dbraw/zinc/86/83/35/441868335.db2.gz RIKRWINFCCSTRL-LBPRGKRZSA-N 0 3 325.340 1.311 20 5 EDBDHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174785497 441969031 /nfs/dbraw/zinc/96/90/31/441969031.db2.gz PHZGNNRCTUQMLS-GJZGRUSLSA-N 0 3 348.407 1.340 20 5 EDBDHN CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCN(C)C1 ZINC000151114311 442008557 /nfs/dbraw/zinc/00/85/57/442008557.db2.gz XMLJTFVAFDCUSV-GFCCVEGCSA-N 0 3 344.371 1.603 20 5 EDBDHN NC(=O)CC[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000170734659 442253507 /nfs/dbraw/zinc/25/35/07/442253507.db2.gz PHADSJCJAAEDAP-CYBMUJFWSA-N 0 3 348.403 1.901 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186169094 442478006 /nfs/dbraw/zinc/47/80/06/442478006.db2.gz CIAUYANXQJRRNC-UHFFFAOYSA-N 0 3 349.384 1.363 20 5 EDBDHN CN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000180189203 442556233 /nfs/dbraw/zinc/55/62/33/442556233.db2.gz SDIULMZODGFRPN-ZBFHGGJFSA-N 0 3 329.360 1.353 20 5 EDBDHN CCOc1cccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000180716569 442651280 /nfs/dbraw/zinc/65/12/80/442651280.db2.gz SUCKHZDJRPXACY-IUODEOHRSA-N 0 3 334.376 1.902 20 5 EDBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157790782 442613742 /nfs/dbraw/zinc/61/37/42/442613742.db2.gz YPHHADPLGOTKIO-UONOGXRCSA-N 0 3 337.424 1.808 20 5 EDBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157859899 442620416 /nfs/dbraw/zinc/62/04/16/442620416.db2.gz XQEGCIAZSBLSOM-KBPBESRZSA-N 0 3 337.424 1.808 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182653590 442800952 /nfs/dbraw/zinc/80/09/52/442800952.db2.gz GLRLKFHNOBZLSP-CQSZACIVSA-N 0 3 347.318 1.239 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268092827 442844708 /nfs/dbraw/zinc/84/47/08/442844708.db2.gz BIWKYJVUMXXTRC-DOMZBBRYSA-N 0 3 332.404 1.919 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000268184118 442888218 /nfs/dbraw/zinc/88/82/18/442888218.db2.gz CVQABQDCXPERPF-MFKMUULPSA-N 0 3 327.406 1.474 20 5 EDBDHN Cc1c(CN[C@@H](C(=O)N2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000180073274 318465186 /nfs/dbraw/zinc/46/51/86/318465186.db2.gz MLPOUBLBISVBAF-MRXNPFEDSA-N 0 3 335.404 1.876 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000268221750 442905412 /nfs/dbraw/zinc/90/54/12/442905412.db2.gz JMRBMBAVYPSWPX-YPMHNXCESA-N 0 3 327.406 1.474 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000265815947 442932257 /nfs/dbraw/zinc/93/22/57/442932257.db2.gz VPQAYRXTPQTPBG-LSDHHAIUSA-N 0 3 345.403 1.623 20 5 EDBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000195155792 442990574 /nfs/dbraw/zinc/99/05/74/442990574.db2.gz PLWWMMNHQHHOPT-UHFFFAOYSA-N 0 3 349.366 1.521 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000296653214 318714650 /nfs/dbraw/zinc/71/46/50/318714650.db2.gz XPGJCOFRVXRYIX-LBPRGKRZSA-N 0 3 341.795 1.825 20 5 EDBDHN COc1ccccc1[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266550905 443165202 /nfs/dbraw/zinc/16/52/02/443165202.db2.gz UJCIBZJATOBSSB-UKRRQHHQSA-N 0 3 346.387 1.650 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000266561926 443169244 /nfs/dbraw/zinc/16/92/44/443169244.db2.gz UJUCQBHGKOGEQE-CQSZACIVSA-N 0 3 336.392 1.157 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)C(C)(C)O ZINC000272573995 443368403 /nfs/dbraw/zinc/36/84/03/443368403.db2.gz KDSYTBNVJLNPLL-UHFFFAOYSA-N 0 3 325.365 1.681 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272582587 443371512 /nfs/dbraw/zinc/37/15/12/443371512.db2.gz GXBKKCBWNBGZFJ-ZFWWWQNUSA-N 0 3 333.388 1.916 20 5 EDBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267364697 443432397 /nfs/dbraw/zinc/43/23/97/443432397.db2.gz IRZMMAMDWAYGDD-AWEZNQCLSA-N 0 3 335.404 1.900 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272674123 443405313 /nfs/dbraw/zinc/40/53/13/443405313.db2.gz UGIQSITZCJQNPE-UKRRQHHQSA-N 0 3 347.371 1.339 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000279377206 443569528 /nfs/dbraw/zinc/56/95/28/443569528.db2.gz XOFVDDRJBJEKPW-DGCLKSJQSA-N 0 3 337.376 1.683 20 5 EDBDHN CCN1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272278426 443577799 /nfs/dbraw/zinc/57/77/99/443577799.db2.gz SXDXYRCWQYVZHY-UHFFFAOYSA-N 0 3 335.389 1.814 20 5 EDBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000265258582 443586100 /nfs/dbraw/zinc/58/61/00/443586100.db2.gz XWIKJHUYZYQFKX-HIFRSBDPSA-N 0 3 339.417 1.808 20 5 EDBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000433996470 319991043 /nfs/dbraw/zinc/99/10/43/319991043.db2.gz FAINOGJZDKWUJV-WBVHZDCISA-N 0 3 343.387 1.921 20 5 EDBDHN O=C(CNC1(CO)CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000441042915 320086492 /nfs/dbraw/zinc/08/64/92/320086492.db2.gz GGOOVDNRMJUFEE-UHFFFAOYSA-N 0 3 337.332 1.157 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC2CCN(CC)CC2)cc([N+](=O)[O-])c1 ZINC000298199508 443718961 /nfs/dbraw/zinc/71/89/61/443718961.db2.gz WBRGYXRBGBTIQF-UHFFFAOYSA-N 0 3 349.387 1.986 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281849387 444023038 /nfs/dbraw/zinc/02/30/38/444023038.db2.gz UKBLZSLLGXUAHW-UHFFFAOYSA-N 0 3 334.420 1.659 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@](C)(C(N)=O)C(C)C ZINC000289345294 444113791 /nfs/dbraw/zinc/11/37/91/444113791.db2.gz MIMRIRXXKUYKAP-MRXNPFEDSA-N 0 3 336.392 1.721 20 5 EDBDHN CCCN1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000301370011 444167171 /nfs/dbraw/zinc/16/71/71/444167171.db2.gz USHOMVNFSNJVRW-UHFFFAOYSA-N 0 3 342.421 1.164 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000295511990 444187565 /nfs/dbraw/zinc/18/75/65/444187565.db2.gz QAMZPQWOOQFROM-AWEZNQCLSA-N 0 3 337.424 1.726 20 5 EDBDHN CN(CCCN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000290378638 444273366 /nfs/dbraw/zinc/27/33/66/444273366.db2.gz BUJIGDDYTFFTPO-UHFFFAOYSA-N 0 3 338.408 1.256 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000323460419 444343136 /nfs/dbraw/zinc/34/31/36/444343136.db2.gz CJPFZZRWHVPUAB-NXEZZACHSA-N 0 3 335.389 1.875 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCC[C@@H]2O)cc1 ZINC000578359172 321763741 /nfs/dbraw/zinc/76/37/41/321763741.db2.gz SNOCRNNWOWBADV-RISCZKNCSA-N 0 3 328.390 1.119 20 5 EDBDHN O=C([C@@H]1CCCN1C1CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000580929107 322112797 /nfs/dbraw/zinc/11/27/97/322112797.db2.gz DRWCBLWDVIWAPC-DOMZBBRYSA-N 0 3 345.403 1.629 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000581688408 322209375 /nfs/dbraw/zinc/20/93/75/322209375.db2.gz ZYXAQPPISHIZRI-SFHVURJKSA-N 0 3 347.415 1.707 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000343763558 444573649 /nfs/dbraw/zinc/57/36/49/444573649.db2.gz VWTYJNVPPGSPAA-LLVKDONJSA-N 0 3 349.343 1.388 20 5 EDBDHN CC[C@H](NCCC(=O)N(C)CC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000342297506 444618210 /nfs/dbraw/zinc/61/82/10/444618210.db2.gz XIZATYYZCDQWEC-AWEZNQCLSA-N 0 3 337.376 1.657 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCCN(C)C3)n1 ZINC000338739263 444830634 /nfs/dbraw/zinc/83/06/34/444830634.db2.gz BCLDEWZTBKZYTL-INIZCTEOSA-N 0 3 334.376 1.699 20 5 EDBDHN CCN1C[C@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330596122 445053499 /nfs/dbraw/zinc/05/34/99/445053499.db2.gz XYMKZEFTDIUXBM-KBPBESRZSA-N 0 3 334.420 1.972 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)c2ncnc3sc([N+](=O)[O-])cc32)N(C)C1 ZINC000343308378 445192078 /nfs/dbraw/zinc/19/20/78/445192078.db2.gz YKMFHAVTOZTPLF-NXEZZACHSA-N 0 3 337.405 1.755 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000351748314 445306304 /nfs/dbraw/zinc/30/63/04/445306304.db2.gz HDCIWRMWFLFXPO-UHFFFAOYSA-N 0 3 345.403 2.269 20 5 EDBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000348384990 445272542 /nfs/dbraw/zinc/27/25/42/445272542.db2.gz SXXMPQBZCUEZFH-ZDUSSCGKSA-N 0 3 348.359 1.477 20 5 EDBDHN C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]2)cc1 ZINC000348384990 445272545 /nfs/dbraw/zinc/27/25/45/445272545.db2.gz SXXMPQBZCUEZFH-ZDUSSCGKSA-N 0 3 348.359 1.477 20 5 EDBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000348143068 445287658 /nfs/dbraw/zinc/28/76/58/445287658.db2.gz OSVFWHIGEHKJFM-OCCSQVGLSA-N 0 3 333.388 1.889 20 5 EDBDHN COc1ccc(C(=O)NC[C@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000352124203 445507587 /nfs/dbraw/zinc/50/75/87/445507587.db2.gz WKUNYKQDYILIIS-OAHLLOKOSA-N 0 3 325.365 1.036 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H](N(C)C)C2)c1 ZINC000360118800 445577175 /nfs/dbraw/zinc/57/71/75/445577175.db2.gz RQSXYLUEANNLKI-UONOGXRCSA-N 0 3 339.417 1.863 20 5 EDBDHN COCCN1CCC[C@@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000360135019 445587967 /nfs/dbraw/zinc/58/79/67/445587967.db2.gz ONABKXGCGNXCIM-CYBMUJFWSA-N 0 3 337.376 1.904 20 5 EDBDHN COc1ccc(C(=O)N2CC[C@@H](N(C)CCO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356053050 445591601 /nfs/dbraw/zinc/59/16/01/445591601.db2.gz WEZIYSWADRDRBQ-WCQYABFASA-N 0 3 337.376 1.131 20 5 EDBDHN CN(C)CCOCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349745932 445662937 /nfs/dbraw/zinc/66/29/37/445662937.db2.gz PFKSVMVMMIIWBL-UHFFFAOYSA-N 0 3 329.784 1.485 20 5 EDBDHN CN1CCC[C@@]2(CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000356291056 445721600 /nfs/dbraw/zinc/72/16/00/445721600.db2.gz XSYUCKMRTAHMQU-MRXNPFEDSA-N 0 3 335.408 1.471 20 5 EDBDHN CN(C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000353942908 445821255 /nfs/dbraw/zinc/82/12/55/445821255.db2.gz ZZVBPYVCTIEUOZ-UHFFFAOYSA-N 0 3 330.772 1.948 20 5 EDBDHN CN(CCCN1CCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000350318479 445811495 /nfs/dbraw/zinc/81/14/95/445811495.db2.gz NWQAHGSPSTWGRB-UHFFFAOYSA-N 0 3 341.433 1.842 20 5 EDBDHN CC[C@@H]1CN2CCCC[C@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000363507403 445836963 /nfs/dbraw/zinc/83/69/63/445836963.db2.gz VWPUPOFZAAPSKC-YCPHGPKFSA-N 0 3 337.424 1.101 20 5 EDBDHN COCCN1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000358917393 445847228 /nfs/dbraw/zinc/84/72/28/445847228.db2.gz VWTWUEGTMZSXIU-AWEZNQCLSA-N 0 3 336.392 1.423 20 5 EDBDHN NC(=O)[C@H](Cc1ccccc1)NCCNc1ccccc1[N+](=O)[O-] ZINC000351344595 446037496 /nfs/dbraw/zinc/03/74/96/446037496.db2.gz WDZNOLJDXYJMCK-HNNXBMFYSA-N 0 3 328.372 1.693 20 5 EDBDHN CC(C)(C)OC[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365513041 446236812 /nfs/dbraw/zinc/23/68/12/446236812.db2.gz NQEFUQPBGREBPI-CYBMUJFWSA-N 0 3 326.397 1.604 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000376189062 446372646 /nfs/dbraw/zinc/37/26/46/446372646.db2.gz RWPGKHQLVWTWLL-CHWSQXEVSA-N 0 3 349.387 1.965 20 5 EDBDHN COc1ccc(OCCN2CCNC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420331877 446501289 /nfs/dbraw/zinc/50/12/89/446501289.db2.gz MQIRZMWQWDPQLV-OAHLLOKOSA-N 0 3 327.356 1.616 20 5 EDBDHN C[C@H]1CN(CCCNc2ncnc3cccc([N+](=O)[O-])c32)CCCO1 ZINC000432880492 446513216 /nfs/dbraw/zinc/51/32/16/446513216.db2.gz NYGVZSVVUCLUKZ-ZDUSSCGKSA-N 0 3 345.403 2.451 20 5 EDBDHN CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000370917303 446519655 /nfs/dbraw/zinc/51/96/55/446519655.db2.gz MIVXCROJAZNBGM-DOTOQJQBSA-N 0 3 343.387 1.525 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(c3cn[nH]c3)CC2)c1 ZINC000376487218 446528625 /nfs/dbraw/zinc/52/86/25/446528625.db2.gz WICJMTSSZBWCRV-MRXNPFEDSA-N 0 3 346.387 1.937 20 5 EDBDHN CCc1ccccc1[C@H](N)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000423975209 446803466 /nfs/dbraw/zinc/80/34/66/446803466.db2.gz LHLOLGLZYZLNEL-OAHLLOKOSA-N 0 3 344.371 1.135 20 5 EDBDHN CCc1ccccc1[C@@H](N)CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000423980531 446805104 /nfs/dbraw/zinc/80/51/04/446805104.db2.gz QGPRVRDQBFXPQM-HNNXBMFYSA-N 0 3 345.403 1.868 20 5 EDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H](N2CCCC2)C1 ZINC000371515595 446907839 /nfs/dbraw/zinc/90/78/39/446907839.db2.gz BEYNFTFPFOLFJN-LBPRGKRZSA-N 0 3 337.351 1.809 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000421454346 447164915 /nfs/dbraw/zinc/16/49/15/447164915.db2.gz QUWKNYFFRVMTBK-UHFFFAOYSA-N 0 3 331.376 2.222 20 5 EDBDHN CN1C(=O)NCC12CCN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000425536992 447217168 /nfs/dbraw/zinc/21/71/68/447217168.db2.gz GUFTYTZXCSVMOY-UHFFFAOYSA-N 0 3 334.376 1.463 20 5 EDBDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368972202 447234463 /nfs/dbraw/zinc/23/44/63/447234463.db2.gz FOYMBWJZNNCWJV-PJODQICGSA-N 0 3 346.387 1.509 20 5 EDBDHN CC1(C)CCCN1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000457062315 447508567 /nfs/dbraw/zinc/50/85/67/447508567.db2.gz UQGZBRGZPLRZST-UHFFFAOYSA-N 0 3 335.360 1.928 20 5 EDBDHN O=[N+]([O-])c1c(N[C@H]2CCCN(CCCO)C2)nc2sccn21 ZINC000450622381 447540020 /nfs/dbraw/zinc/54/00/20/447540020.db2.gz YVOVLHGBROFQBS-JTQLQIEISA-N 0 3 325.394 1.563 20 5 EDBDHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000451086478 447675463 /nfs/dbraw/zinc/67/54/63/447675463.db2.gz MPISIAQTSLUKTP-LBPRGKRZSA-N 0 3 332.404 1.610 20 5 EDBDHN CO[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451486765 447734940 /nfs/dbraw/zinc/73/49/40/447734940.db2.gz DWWDWHRQENSGIK-KBPBESRZSA-N 0 3 342.417 1.772 20 5 EDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000487270895 447828832 /nfs/dbraw/zinc/82/88/32/447828832.db2.gz KLWOXFAGKHJAMN-NWDGAFQWSA-N 0 3 341.433 1.897 20 5 EDBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000570862057 448077953 /nfs/dbraw/zinc/07/79/53/448077953.db2.gz GJYCTCQUGKPXGK-PEYYIBSZSA-N 0 3 333.388 1.808 20 5 EDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000571187521 448121772 /nfs/dbraw/zinc/12/17/72/448121772.db2.gz UZUJBKCYVHNXOC-QGZVFWFLSA-N 0 3 344.371 1.263 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CO)Cc1ccccc1 ZINC000577512502 448318628 /nfs/dbraw/zinc/31/86/28/448318628.db2.gz AXPKXAOARCCFAQ-HZPDHXFCSA-N 0 3 346.383 1.528 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000492780029 448289882 /nfs/dbraw/zinc/28/98/82/448289882.db2.gz DVGXTIASPJSMHP-DKLOGILVSA-N 0 3 331.372 1.540 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2N2CCCC2)c1 ZINC000591727967 448473731 /nfs/dbraw/zinc/47/37/31/448473731.db2.gz QVJAIBUGUWMNCL-MRXNPFEDSA-N 0 3 345.403 1.542 20 5 EDBDHN CO[C@@H]([C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591770436 448487425 /nfs/dbraw/zinc/48/74/25/448487425.db2.gz HCMGBIJCSPBWDA-ABAIWWIYSA-N 0 3 342.417 1.772 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc([N+](=O)[O-])c1 ZINC000592337354 448797703 /nfs/dbraw/zinc/79/77/03/448797703.db2.gz FWCYVVSYPBOESJ-RYUDHWBXSA-N 0 3 339.323 1.201 20 5 EDBDHN CC1(C)CCC[NH2+][C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000579712480 448860022 /nfs/dbraw/zinc/86/00/22/448860022.db2.gz UXSLRPNQFMVSIQ-NSHDSACASA-N 0 3 328.394 1.046 20 5 EDBDHN C[C@@H]1CN(CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCCO1 ZINC000588033829 448860816 /nfs/dbraw/zinc/86/08/16/448860816.db2.gz QTLSZXZMGARDIM-GFCCVEGCSA-N 0 3 338.408 1.582 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cnc3n2CCCC3)c1 ZINC000574632244 448920480 /nfs/dbraw/zinc/92/04/80/448920480.db2.gz ZAKXMGYAPMYOCO-HNNXBMFYSA-N 0 3 346.387 1.657 20 5 EDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000588814231 448933734 /nfs/dbraw/zinc/93/37/34/448933734.db2.gz UUDXPABACQXJFG-CQSZACIVSA-N 0 3 337.424 1.811 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CO)[C@@H]2CCCOC2)c1 ZINC000593034105 449109348 /nfs/dbraw/zinc/10/93/48/449109348.db2.gz HUUTTZHZOYMTFF-TZMCWYRMSA-N 0 3 338.360 1.259 20 5 EDBDHN COC[C@@H]1C[C@@H](O)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593062179 449118999 /nfs/dbraw/zinc/11/89/99/449118999.db2.gz BGFWDNHDBMTKIA-UONOGXRCSA-N 0 3 337.376 1.313 20 5 EDBDHN CN1C[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000590442999 449163625 /nfs/dbraw/zinc/16/36/25/449163625.db2.gz CXGIYGIYMLZSNQ-GXFFZTMASA-N 0 3 333.344 1.142 20 5 EDBDHN C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593114617 449141345 /nfs/dbraw/zinc/14/13/45/449141345.db2.gz CGEMSJQAFZWHJX-LRDDRELGSA-N 0 3 348.378 1.953 20 5 EDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000590399207 449146860 /nfs/dbraw/zinc/14/68/60/449146860.db2.gz JBWJYVRTEVVKDJ-DLBZAZTESA-N 0 3 347.415 1.849 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000590574385 449197301 /nfs/dbraw/zinc/19/73/01/449197301.db2.gz IRCGXCMPBAUIFN-LBPRGKRZSA-N 0 3 341.843 1.751 20 5 EDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000590588456 449203306 /nfs/dbraw/zinc/20/33/06/449203306.db2.gz HNNYTBKYGYDMIR-JSGCOSHPSA-N 0 3 341.433 1.492 20 5 EDBDHN CN1CCN(c2cc[nH+]cc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000604342281 449209738 /nfs/dbraw/zinc/20/97/38/449209738.db2.gz HXZLRGQIAREOPV-UHFFFAOYSA-N 0 3 330.348 1.322 20 5 EDBDHN COC(=O)c1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)n1C ZINC000602006382 449272506 /nfs/dbraw/zinc/27/25/06/449272506.db2.gz KFXCQWVQVOIILG-UHFFFAOYSA-N 0 3 333.344 1.889 20 5 EDBDHN COc1cc(CN2CCN([C@@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000611516677 449318960 /nfs/dbraw/zinc/31/89/60/449318960.db2.gz OBWKURNEHPKMGG-MRXNPFEDSA-N 0 3 348.447 1.815 20 5 EDBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596076960 449350566 /nfs/dbraw/zinc/35/05/66/449350566.db2.gz DVKBOUAQHQUPPI-GFCCVEGCSA-N 0 3 335.408 1.132 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000598341834 449357212 /nfs/dbraw/zinc/35/72/12/449357212.db2.gz GQFKVAAIWLVPIW-CQSZACIVSA-N 0 3 343.387 1.995 20 5 EDBDHN O=c1[n-]ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596142123 449382636 /nfs/dbraw/zinc/38/26/36/449382636.db2.gz DLPUWMJZTLBISO-KRWDZBQOSA-N 0 3 344.371 1.744 20 5 EDBDHN O=c1[n-]ccc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596142123 449382641 /nfs/dbraw/zinc/38/26/41/449382641.db2.gz DLPUWMJZTLBISO-KRWDZBQOSA-N 0 3 344.371 1.744 20 5 EDBDHN CN(CCN1CCCCC1)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596296689 449462167 /nfs/dbraw/zinc/46/21/67/449462167.db2.gz YQWXXEIJDHQGSJ-UHFFFAOYSA-N 0 3 342.421 1.164 20 5 EDBDHN CCC(C)(C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000594390181 449487532 /nfs/dbraw/zinc/48/75/32/449487532.db2.gz UBEXUVGZQFYPGU-UHFFFAOYSA-N 0 3 336.392 1.089 20 5 EDBDHN Cc1ccc(S(=O)(=O)NCC2(N(C)C)CCC2)c(C)c1[N+](=O)[O-] ZINC000598605840 449488182 /nfs/dbraw/zinc/48/81/82/449488182.db2.gz DBLVUGVRWGBIFZ-UHFFFAOYSA-N 0 3 341.433 1.974 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@H]2CCCOC2)cc1 ZINC000600742488 449528438 /nfs/dbraw/zinc/52/84/38/449528438.db2.gz DFMPNPLEIRNWDQ-CYBMUJFWSA-N 0 3 342.417 1.775 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C[C@@H]([NH+](C)C)C2)c1C ZINC000594474595 449540609 /nfs/dbraw/zinc/54/06/09/449540609.db2.gz LAKRZXBVLFDRBL-BETUJISGSA-N 0 3 341.433 1.830 20 5 EDBDHN CCN1CCN([C@H](C)CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602513286 449642367 /nfs/dbraw/zinc/64/23/67/449642367.db2.gz BOSJAWBVXJNWSB-CYBMUJFWSA-N 0 3 347.419 1.852 20 5 EDBDHN CC(C)(C)N1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594793931 449704909 /nfs/dbraw/zinc/70/49/09/449704909.db2.gz WPJOYXPAIIRIMT-LBPRGKRZSA-N 0 3 341.433 1.994 20 5 EDBDHN CN1CCN(CC2CN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000599106638 449738839 /nfs/dbraw/zinc/73/88/39/449738839.db2.gz IZBJVFGRSMSTOL-UHFFFAOYSA-N 0 3 325.800 1.327 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H](C)[NH+](C)C)cc1C ZINC000594816738 449725455 /nfs/dbraw/zinc/72/54/55/449725455.db2.gz KFONHXRRBXYHKE-LBPRGKRZSA-N 0 3 329.422 1.830 20 5 EDBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000599105200 449736528 /nfs/dbraw/zinc/73/65/28/449736528.db2.gz WIQUVKPASVNZKK-UHFFFAOYSA-N 0 3 349.796 1.034 20 5 EDBDHN CC[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599179550 449782268 /nfs/dbraw/zinc/78/22/68/449782268.db2.gz ISTDPVREMVAKDY-WDEREUQCSA-N 0 3 327.406 1.575 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(CN3CCN(C)CC3)C2)c1 ZINC000599109945 449742566 /nfs/dbraw/zinc/74/25/66/449742566.db2.gz YYGXERJQDAWWPW-UHFFFAOYSA-N 0 3 348.403 1.065 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC2CCOCC2)CC1 ZINC000602782319 449805217 /nfs/dbraw/zinc/80/52/17/449805217.db2.gz PKFJLTBQJTVDQJ-UHFFFAOYSA-N 0 3 337.424 1.144 20 5 EDBDHN COC[C@H](C)Oc1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000594930015 449811897 /nfs/dbraw/zinc/81/18/97/449811897.db2.gz AFUJXURFDSDNHQ-ZDUSSCGKSA-N 0 3 334.376 1.995 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597098586 449812829 /nfs/dbraw/zinc/81/28/29/449812829.db2.gz UXRKBCDFGCRLCZ-CYBMUJFWSA-N 0 3 343.771 1.019 20 5 EDBDHN N[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595122370 449883955 /nfs/dbraw/zinc/88/39/55/449883955.db2.gz XKJTWXCOFKYTLQ-RKDXNWHRSA-N 0 3 337.760 1.308 20 5 EDBDHN CN1CCN([C@H]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000613078096 450011326 /nfs/dbraw/zinc/01/13/26/450011326.db2.gz DRKIOGYZTVNJHO-IYBDPMFKSA-N 0 3 346.431 1.883 20 5 EDBDHN COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)cc1[N+](=O)[O-] ZINC000615297139 450052293 /nfs/dbraw/zinc/05/22/93/450052293.db2.gz SAPPBXZTINAMGM-VXGBXAGGSA-N 0 3 343.405 1.364 20 5 EDBDHN CNc1c(C(=O)NC2CCN([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000613234740 450094806 /nfs/dbraw/zinc/09/48/06/450094806.db2.gz CAAWSZLZHDSMHD-ZDUSSCGKSA-N 0 3 348.403 1.620 20 5 EDBDHN CC1CC[NH+](CCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610260384 450172437 /nfs/dbraw/zinc/17/24/37/450172437.db2.gz XVUKYZBQYYMGIK-UHFFFAOYSA-N 0 3 342.421 1.390 20 5 EDBDHN COc1ccc(-c2ccc(CNC[C@](C)(O)CO)o2)c([N+](=O)[O-])c1 ZINC000619464271 450481781 /nfs/dbraw/zinc/48/17/81/450481781.db2.gz JXPVBPVWWIANOA-INIZCTEOSA-N 0 3 336.344 1.696 20 5 EDBDHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000372797876 486883040 /nfs/dbraw/zinc/88/30/40/486883040.db2.gz DUSJKOZFDXJDNC-MGPLVRAMSA-N 0 3 349.343 1.419 20 5 EDBDHN COc1cc(CCNC(=O)[C@@H](N)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000178349139 533764666 /nfs/dbraw/zinc/76/46/66/533764666.db2.gz YPMVIOVPAOGZQF-LBPRGKRZSA-N 0 3 339.392 1.644 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000184381187 533906640 /nfs/dbraw/zinc/90/66/40/533906640.db2.gz JFSQRJUKVOEBBL-OAHLLOKOSA-N 0 3 348.447 1.670 20 5 EDBDHN CSc1ccc(C(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000153019333 534185115 /nfs/dbraw/zinc/18/51/15/534185115.db2.gz APJQXKPBGCGGGE-AWEZNQCLSA-N 0 3 327.406 1.359 20 5 EDBDHN O=[N+]([O-])c1cccc(OCCN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000178474921 534886669 /nfs/dbraw/zinc/88/66/69/534886669.db2.gz NJBZQHPFBVZCPH-OAHLLOKOSA-N 0 3 335.404 1.628 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000345874591 536363966 /nfs/dbraw/zinc/36/39/66/536363966.db2.gz LVASULJVLATMMJ-HONMWMINSA-N 0 3 334.376 1.426 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000353030705 536477177 /nfs/dbraw/zinc/47/71/77/536477177.db2.gz AXKBRVJCTZKZOO-PWSUYJOCSA-N 0 3 340.401 1.988 20 5 EDBDHN CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000732167052 578695523 /nfs/dbraw/zinc/69/55/23/578695523.db2.gz VLMCVTIXWYTLEC-CQSZACIVSA-N 0 3 347.371 1.481 20 5 EDBDHN CC[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736400660 578985685 /nfs/dbraw/zinc/98/56/85/578985685.db2.gz QLZIUGXWNYRICQ-LLVKDONJSA-N 0 3 346.395 1.846 20 5 EDBDHN CC[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736400660 578985686 /nfs/dbraw/zinc/98/56/86/578985686.db2.gz QLZIUGXWNYRICQ-LLVKDONJSA-N 0 3 346.395 1.846 20 5 EDBDHN CC[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736400660 578985687 /nfs/dbraw/zinc/98/56/87/578985687.db2.gz QLZIUGXWNYRICQ-LLVKDONJSA-N 0 3 346.395 1.846 20 5 EDBDHN CC[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736400660 578985688 /nfs/dbraw/zinc/98/56/88/578985688.db2.gz QLZIUGXWNYRICQ-LLVKDONJSA-N 0 3 346.395 1.846 20 5 EDBDHN O=[N+]([O-])c1c(N2CCCN(C[C@@H]3CCCO3)CC2)nc2ccccn21 ZINC000748272230 579677910 /nfs/dbraw/zinc/67/79/10/579677910.db2.gz LUAWWHHKQIDHKR-AWEZNQCLSA-N 0 3 345.403 1.934 20 5 EDBDHN C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)N1CCCC1 ZINC000778264754 580460279 /nfs/dbraw/zinc/46/02/79/580460279.db2.gz RXNJRQIHVFOYLE-SECBINFHSA-N 0 3 335.389 1.814 20 5 EDBDHN C[C@H](N[C@@H](CO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000771812961 580295193 /nfs/dbraw/zinc/29/51/93/580295193.db2.gz MAYRWPOKFNESDE-SDBXPKJASA-N 0 3 327.768 1.936 20 5 EDBDHN O=C([C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000776581683 580422077 /nfs/dbraw/zinc/42/20/77/580422077.db2.gz HINRAVDKMJONJQ-DOTOQJQBSA-N 0 3 347.415 1.963 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000776587429 580422612 /nfs/dbraw/zinc/42/26/12/580422612.db2.gz GHEXKXSWOXDTLJ-QZTJIDSGSA-N 0 3 349.431 1.815 20 5 EDBDHN O=C(CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NCC1CC1 ZINC000779177555 580480624 /nfs/dbraw/zinc/48/06/24/580480624.db2.gz KGNXTVQZWWFXRX-UHFFFAOYSA-N 0 3 332.404 1.679 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1NCCCN1CCN(c2ccncc2)CC1 ZINC000892160645 590832256 /nfs/dbraw/zinc/83/22/56/590832256.db2.gz BDNVGTIIJSGCMJ-UHFFFAOYSA-N 0 3 345.407 1.348 20 5 EDBDHN Cc1nn(CCC(=O)N[C@@]2(C)CN3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000892783514 591175053 /nfs/dbraw/zinc/17/50/53/591175053.db2.gz BUGROZUVDBEUDI-INIZCTEOSA-N 0 3 335.408 1.399 20 5 EDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C(=O)NCC12CCOCC2 ZINC000895769699 591269644 /nfs/dbraw/zinc/26/96/44/591269644.db2.gz BPCFJUGFPPBRQY-CZUORRHYSA-N 0 3 347.415 1.801 20 5 EDBDHN CNC(=O)c1ccc(N2C[C@@]3(C)CN(C)C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000894796835 591420016 /nfs/dbraw/zinc/42/00/16/591420016.db2.gz FHDCVKLSONEMTA-CALCHBBNSA-N 0 3 332.404 1.732 20 5 EDBDHN CNC(=O)c1ccc(N2C[C@@]3(C)CN(C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000894796836 591420127 /nfs/dbraw/zinc/42/01/27/591420127.db2.gz FHDCVKLSONEMTA-IAGOWNOFSA-N 0 3 332.404 1.732 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895114835 591596220 /nfs/dbraw/zinc/59/62/20/591596220.db2.gz NGSBFHXOYYRYOO-NSHDSACASA-N 0 3 340.811 1.800 20 5 EDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@]1(O)CCCN(C)C1)CC2 ZINC000901316511 592338206 /nfs/dbraw/zinc/33/82/06/592338206.db2.gz DFDJPDCOGYKBKP-QGZVFWFLSA-N 0 3 333.388 1.639 20 5 EDBDHN COC[C@@H]1CNCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903876575 592356355 /nfs/dbraw/zinc/35/63/55/592356355.db2.gz YYIOUMGSIHZQDX-NSHDSACASA-N 0 3 342.783 1.107 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)[C@H]2C1 ZINC000908346733 592454670 /nfs/dbraw/zinc/45/46/70/592454670.db2.gz HTYUNCMBMSSOML-YPMHNXCESA-N 0 3 347.371 1.532 20 5 EDBDHN COCCN(C)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906521369 592840239 /nfs/dbraw/zinc/84/02/39/592840239.db2.gz YYOQNQNTPPAJCS-UHFFFAOYSA-N 0 3 343.811 1.875 20 5 EDBDHN CN1CCC(N(CCO)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911933579 593038598 /nfs/dbraw/zinc/03/85/98/593038598.db2.gz LQOUWZVBRXXGRU-DAXSKMNVSA-N 0 3 333.388 1.523 20 5 EDBDHN CC(=O)NCC[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805821973 593148537 /nfs/dbraw/zinc/14/85/37/593148537.db2.gz HINDTUOYSFXABY-YOEHRIQHSA-N 0 3 335.404 1.866 20 5 EDBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000838895989 593235725 /nfs/dbraw/zinc/23/57/25/593235725.db2.gz VHQDJESURWWZFO-ZDUSSCGKSA-N 0 3 333.392 1.489 20 5 EDBDHN CC(COC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)[N+](=O)[O-] ZINC000838965013 593243911 /nfs/dbraw/zinc/24/39/11/593243911.db2.gz MGNIPHAFYDPOJX-MRVPVSSYSA-N 0 3 337.300 1.434 20 5 EDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1CCO[C@@H]1CCCCO1 ZINC000813106379 593517868 /nfs/dbraw/zinc/51/78/68/593517868.db2.gz BWWDMBFSMXOSAP-SMDDNHRTSA-N 0 3 341.364 1.557 20 5 EDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc2ncccc21 ZINC000813111836 593518648 /nfs/dbraw/zinc/51/86/48/593518648.db2.gz ATFRRNNQAFNJBJ-JTQLQIEISA-N 0 3 341.327 1.946 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]C(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000817859559 593641860 /nfs/dbraw/zinc/64/18/60/593641860.db2.gz HPGXBRVPFXZFLI-UHFFFAOYSA-N 0 3 335.813 1.962 20 5 EDBDHN Cn1c(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC000820071103 593788483 /nfs/dbraw/zinc/78/84/83/593788483.db2.gz VKZZCLXUYIZWMQ-HALDLXJZSA-N 0 3 340.383 1.794 20 5 EDBDHN CC(C)[NH+](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000820117090 593792604 /nfs/dbraw/zinc/79/26/04/593792604.db2.gz UPMMZAHZGGDAAH-UHFFFAOYSA-N 0 3 334.384 1.701 20 5 EDBDHN CC(C)[NH+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000820117090 593792605 /nfs/dbraw/zinc/79/26/05/593792605.db2.gz UPMMZAHZGGDAAH-UHFFFAOYSA-N 0 3 334.384 1.701 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000822998711 594134143 /nfs/dbraw/zinc/13/41/43/594134143.db2.gz UOWZMHSGEWJSKZ-ULQDDVLXSA-N 0 3 347.415 1.661 20 5 EDBDHN CN(C)CCN(CCN(C)C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826101187 594331452 /nfs/dbraw/zinc/33/14/52/594331452.db2.gz PJUQVTGLNUDXLN-UHFFFAOYSA-N 0 3 342.827 1.814 20 5 EDBDHN Cc1cc(Cl)c(C(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000828505371 594438984 /nfs/dbraw/zinc/43/89/84/594438984.db2.gz OXBRRZSRLBTXEG-AWEZNQCLSA-N 0 3 327.768 1.353 20 5 EDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](CN(C)C)OCC ZINC000831723443 594696313 /nfs/dbraw/zinc/69/63/13/594696313.db2.gz GWCINJVHEQSLEA-GFCCVEGCSA-N 0 3 339.392 1.690 20 5 EDBDHN CCO[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CN(C)C ZINC000831743564 594698308 /nfs/dbraw/zinc/69/83/08/594698308.db2.gz JROLVNOPMDOZES-ZDUSSCGKSA-N 0 3 329.784 1.945 20 5 EDBDHN CC(COC(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1)[N+](=O)[O-] ZINC000835456973 594830171 /nfs/dbraw/zinc/83/01/71/594830171.db2.gz VHNSKIYVOHDBFR-DGCLKSJQSA-N 0 3 330.344 1.716 20 5 EDBDHN CCOc1cc(OS(=O)(=O)CCCN(C)C)ccc1[N+](=O)[O-] ZINC000867183679 594983445 /nfs/dbraw/zinc/98/34/45/594983445.db2.gz JGPKRYONFIMVOG-UHFFFAOYSA-N 0 3 332.378 1.654 20 5 EDBDHN CC([C@@H](OC(=O)CCc1cnn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845883260 595087768 /nfs/dbraw/zinc/08/77/68/595087768.db2.gz REOMFPCSKAPTQZ-ZUZCIYMTSA-N 0 3 336.323 1.837 20 5 EDBDHN C/C(=C\C(=O)N1CCC[C@@](O)(CN(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000834565277 595163709 /nfs/dbraw/zinc/16/37/09/595163709.db2.gz SOOJUPLKFLWGTP-GPZRYRNASA-N 0 3 347.415 1.913 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(Cn3cnnc3)CC2)cc1 ZINC000844412373 595340122 /nfs/dbraw/zinc/34/01/22/595340122.db2.gz TYUPOVZNYVLLEX-MRXNPFEDSA-N 0 3 331.376 1.632 20 5 EDBDHN Cc1cn(CN(C)CC2CN(C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000853554188 595798690 /nfs/dbraw/zinc/79/86/90/595798690.db2.gz YZUIXAHIQSYZHH-UHFFFAOYSA-N 0 3 345.403 1.307 20 5 EDBDHN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccnc(CO)c2)CC1 ZINC000858556039 595827215 /nfs/dbraw/zinc/82/72/15/595827215.db2.gz UXNKFLHVDWJKFF-UHFFFAOYSA-N 0 3 342.355 1.445 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000858632647 595851118 /nfs/dbraw/zinc/85/11/18/595851118.db2.gz PMONBSUXFMEPJU-ZJUUUORDSA-N 0 3 347.824 1.975 20 5 EDBDHN CN1CC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867808691 596561317 /nfs/dbraw/zinc/56/13/17/596561317.db2.gz OCCBJTSKTMBVLR-RYUDHWBXSA-N 0 3 325.390 1.310 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000869780693 596632127 /nfs/dbraw/zinc/63/21/27/596632127.db2.gz PBRDPDBCCLBABG-AWEZNQCLSA-N 0 3 349.431 1.834 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000869785944 596637153 /nfs/dbraw/zinc/63/71/53/596637153.db2.gz LOXFUDDQGNPENX-JTQLQIEISA-N 0 3 341.795 1.823 20 5 EDBDHN O=C1OC[C@]2(CNCc3ccc([N+](=O)[O-])c(Cl)c3)COCCN12 ZINC000872262627 596859978 /nfs/dbraw/zinc/85/99/78/596859978.db2.gz KZPFYRMBLRLLQB-AWEZNQCLSA-N 0 3 341.751 1.559 20 5 EDBDHN CC1(C)CCNCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000872293876 596871292 /nfs/dbraw/zinc/87/12/92/596871292.db2.gz OTDFRSHAZUBJPB-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1Cc2ccccc2CN1 ZINC000877345905 597497128 /nfs/dbraw/zinc/49/71/28/597497128.db2.gz CREDTJVSXDRRSH-HNNXBMFYSA-N 0 3 341.367 1.804 20 5 EDBDHN COc1cccc([C@H]2CN(CCn3c(C)ncc3[N+](=O)[O-])CCN2)c1 ZINC000879522737 597616285 /nfs/dbraw/zinc/61/62/85/597616285.db2.gz LKFWIOUKFCAVID-MRXNPFEDSA-N 0 3 345.403 1.755 20 5 EDBDHN Cc1cncc([C@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000879750796 597710651 /nfs/dbraw/zinc/71/06/51/597710651.db2.gz WDTGKRALGZVUPA-HZPDHXFCSA-N 0 3 331.376 1.693 20 5 EDBDHN CC(C)[C@H]1CN(C)CCN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000153621168 695924320 /nfs/dbraw/zinc/92/43/20/695924320.db2.gz VBOLXZVBJIXYCF-CQSZACIVSA-N 0 3 346.387 1.420 20 5 EDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2cc(C3CC3)no2)CC1 ZINC001005382200 708815859 /nfs/dbraw/zinc/81/58/59/708815859.db2.gz NUTCRBOHHOCDSF-GDBMZVCRSA-N 0 3 348.403 1.640 20 5 EDBDHN Cc1cc(S(=O)(=O)NCCN(C)C(C)C)cc([N+](=O)[O-])c1F ZINC000154300391 711600347 /nfs/dbraw/zinc/60/03/47/711600347.db2.gz QMNXUSRRFXTOKF-UHFFFAOYSA-N 0 3 333.385 1.661 20 5 EDBDHN C[NH+](C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000175080719 231380465 /nfs/dbraw/zinc/38/04/65/231380465.db2.gz ONLRRURAQNMLJM-VXGBXAGGSA-N 0 3 327.406 1.746 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000175109333 231386215 /nfs/dbraw/zinc/38/62/15/231386215.db2.gz RGPPLUPBEQHXGO-CYBMUJFWSA-N 0 3 341.433 1.832 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCSc3ccccc32)c1 ZINC000559683029 306257646 /nfs/dbraw/zinc/25/76/46/306257646.db2.gz HFGMDTUUCKHGIX-TZMCWYRMSA-N 0 3 334.401 1.979 20 5 EDBDHN CNS(=O)(=O)CCN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000187177045 530018267 /nfs/dbraw/zinc/01/82/67/530018267.db2.gz QANCNGRGTRCFGD-TZMCWYRMSA-N 0 3 341.433 1.445 20 5 EDBDHN COC[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000178006118 232056234 /nfs/dbraw/zinc/05/62/34/232056234.db2.gz ILCRNJWKWFDDFA-CQSZACIVSA-N 0 3 345.421 1.134 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC(N)=O)CC(C)C ZINC000067962926 215261176 /nfs/dbraw/zinc/26/11/76/215261176.db2.gz CAYXSIZLFSFBJA-UHFFFAOYSA-N 0 3 336.392 1.675 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)N2CCC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000183384915 235040026 /nfs/dbraw/zinc/04/00/26/235040026.db2.gz KIKQSRMGUMGCJJ-CQSZACIVSA-N 0 3 348.403 1.186 20 5 EDBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])o1 ZINC000183406495 235054119 /nfs/dbraw/zinc/05/41/19/235054119.db2.gz UTIVKMABBQMYNI-CQSZACIVSA-N 0 3 345.355 1.684 20 5 EDBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000090015342 138277229 /nfs/dbraw/zinc/27/72/29/138277229.db2.gz HKYSUQMFUVOAHR-LLVKDONJSA-N 0 3 327.406 1.651 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cccc1[N+](=O)[O-] ZINC000072639607 216287187 /nfs/dbraw/zinc/28/71/87/216287187.db2.gz IGDBLYKREDENLU-QWHCGFSZSA-N 0 3 346.387 1.537 20 5 EDBDHN COC(=O)[C@@H]1CN(C)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414483951 304118620 /nfs/dbraw/zinc/11/86/20/304118620.db2.gz GCSUUOQNLQJWNP-ZQMJAJRESA-N 0 3 333.388 1.645 20 5 EDBDHN N[C@@H]1C[C@@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000568415207 306481144 /nfs/dbraw/zinc/48/11/44/306481144.db2.gz KZHBJESFENSVDP-PSASIEDQSA-N 0 3 345.186 1.650 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000415499155 250974083 /nfs/dbraw/zinc/97/40/83/250974083.db2.gz JNYQPOOAYJDTCJ-JOYOIKCWSA-N 0 3 338.364 1.838 20 5 EDBDHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000262806396 139305032 /nfs/dbraw/zinc/30/50/32/139305032.db2.gz XAARAWVJVJADDH-SECBINFHSA-N 0 3 335.813 1.833 20 5 EDBDHN Cc1c(C(=O)N2CCN[C@@H](C)[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262868713 139309274 /nfs/dbraw/zinc/30/92/74/139309274.db2.gz UUBGDTVSCCMGLO-QWRGUYRKSA-N 0 3 344.375 1.306 20 5 EDBDHN Cc1ccc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424422416 252223244 /nfs/dbraw/zinc/22/32/44/252223244.db2.gz SQDNRZAYWCECED-UONOGXRCSA-N 0 3 344.375 1.595 20 5 EDBDHN NC(=O)c1ccc(CN[C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429322630 254508819 /nfs/dbraw/zinc/50/88/19/254508819.db2.gz NFVSMTXYJDAEFG-ZDUSSCGKSA-N 0 3 327.340 1.656 20 5 EDBDHN CO[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000488002626 255040622 /nfs/dbraw/zinc/04/06/22/255040622.db2.gz OSILLBYYLMKSLU-GJZGRUSLSA-N 0 3 337.376 1.577 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000119312055 221291904 /nfs/dbraw/zinc/29/19/04/221291904.db2.gz SRCBIWLCUCVRAU-SWLSCSKDSA-N 0 3 348.403 1.640 20 5 EDBDHN C[C@]1(CO)CCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331659702 141063560 /nfs/dbraw/zinc/06/35/60/141063560.db2.gz OAMCXSXPUUJRJY-DOTOQJQBSA-N 0 3 333.388 1.625 20 5 EDBDHN CCN1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3OC)[C@H]2C1 ZINC000339385975 142033291 /nfs/dbraw/zinc/03/32/91/142033291.db2.gz SQZJCPHNKZFPLP-JKSUJKDBSA-N 0 3 335.404 1.898 20 5 EDBDHN NC(=O)c1ccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)c([N+](=O)[O-])c1 ZINC000339764948 142149261 /nfs/dbraw/zinc/14/92/61/142149261.db2.gz VNWAGGFBDSAAOP-NVXWUHKLSA-N 0 3 349.387 1.103 20 5 EDBDHN Cn1cc(CNC[C@@H](O)C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344757119 143008078 /nfs/dbraw/zinc/00/80/78/143008078.db2.gz JVADLAIBWORGTN-GFCCVEGCSA-N 0 3 326.303 1.711 20 5 EDBDHN CN1CC[C@]2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000346290378 143187589 /nfs/dbraw/zinc/18/75/89/143187589.db2.gz CNWDGUHKOOFDGD-INIZCTEOSA-N 0 3 339.342 1.970 20 5 EDBDHN C[C@H]1[C@@H](N(C)CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000347148809 143287774 /nfs/dbraw/zinc/28/77/74/143287774.db2.gz ARPPAXQSYFSJJB-NHYWBVRUSA-N 0 3 339.367 1.190 20 5 EDBDHN COc1cc(CNC[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000352744385 149145885 /nfs/dbraw/zinc/14/58/85/149145885.db2.gz BOPBRPUQNQLEHI-VIFPVBQESA-N 0 3 334.319 1.965 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@](C)(CO)C(C)C ZINC000352889464 149205688 /nfs/dbraw/zinc/20/56/88/149205688.db2.gz AFPAQNTVFKPGPM-HNNXBMFYSA-N 0 3 325.365 1.539 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1(N(C)C)CCC1 ZINC000353353168 149376795 /nfs/dbraw/zinc/37/67/95/149376795.db2.gz XEPIFTXNPRQRCY-LBPRGKRZSA-N 0 3 348.403 1.314 20 5 EDBDHN COc1cc(C[NH2+][C@H](C)CCN2CCOCC2)c([N+](=O)[O-])cc1[O-] ZINC000076897775 286221995 /nfs/dbraw/zinc/22/19/95/286221995.db2.gz ZPNRAXIHAXUBQR-GFCCVEGCSA-N 0 3 339.392 1.509 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000357385630 151014681 /nfs/dbraw/zinc/01/46/81/151014681.db2.gz FUOJWXAJYWNLIR-RISCZKNCSA-N 0 3 349.387 1.984 20 5 EDBDHN CN1CC[C@](O)(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000358066073 151255541 /nfs/dbraw/zinc/25/55/41/151255541.db2.gz MBBBFAVBYUQSOI-ZDUSSCGKSA-N 0 3 347.293 1.410 20 5 EDBDHN COCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000358281974 151325715 /nfs/dbraw/zinc/32/57/15/151325715.db2.gz DQOJYGYWNVSZCA-NWDGAFQWSA-N 0 3 331.376 1.998 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000359680172 151788390 /nfs/dbraw/zinc/78/83/90/151788390.db2.gz YUNOZOZWVMTDJA-OAHLLOKOSA-N 0 3 339.417 1.771 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000364061414 153136215 /nfs/dbraw/zinc/13/62/15/153136215.db2.gz NUCWXNXQIPRZRY-LBPRGKRZSA-N 0 3 325.390 1.454 20 5 EDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000368370677 154527592 /nfs/dbraw/zinc/52/75/92/154527592.db2.gz QWMZLIIJYWJQRU-QWRGUYRKSA-N 0 3 333.323 1.210 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3nccs3)CC2)c1 ZINC000368403375 154544250 /nfs/dbraw/zinc/54/42/50/154544250.db2.gz CGEDLJKCRLNOHC-ZDUSSCGKSA-N 0 3 337.405 1.488 20 5 EDBDHN O=C(CCN1CC[C@@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000372363315 156352531 /nfs/dbraw/zinc/35/25/31/156352531.db2.gz CBMTZGQEWQUIDJ-CQSZACIVSA-N 0 3 330.348 1.462 20 5 EDBDHN O=C(CCN1CCC[C@H](c2nnc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374049963 157121954 /nfs/dbraw/zinc/12/19/54/157121954.db2.gz LSDGSWMTVTWXAB-LBPRGKRZSA-N 0 3 344.375 1.921 20 5 EDBDHN Nc1c(C(=O)N2CCCN(C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000377974912 158044532 /nfs/dbraw/zinc/04/45/32/158044532.db2.gz DIPZFWKPKLMHOU-UHFFFAOYSA-N 0 3 348.403 1.504 20 5 EDBDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000378361210 158152751 /nfs/dbraw/zinc/15/27/51/158152751.db2.gz DTWQPBZZNLKICC-ZFWWWQNUSA-N 0 3 334.380 1.113 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000330534637 286704209 /nfs/dbraw/zinc/70/42/09/286704209.db2.gz IVKIFKJHXZPTGX-CHWSQXEVSA-N 0 3 327.381 1.852 20 5 EDBDHN COc1cc(CN2CC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352546589 162244108 /nfs/dbraw/zinc/24/41/08/162244108.db2.gz XMHTYZJJFGQXBF-OAHLLOKOSA-N 0 3 335.404 1.758 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(C)(CO)CO ZINC000159516984 225232118 /nfs/dbraw/zinc/23/21/18/225232118.db2.gz YOYOFTGBQFOXMI-UHFFFAOYSA-N 0 3 339.392 1.155 20 5 EDBDHN CN(C)C1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC1 ZINC000275848032 273131671 /nfs/dbraw/zinc/13/16/71/273131671.db2.gz HRELXMPFKPCBFP-UHFFFAOYSA-N 0 3 344.375 1.390 20 5 EDBDHN C[C@H]1NC(=O)CC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282449628 273653735 /nfs/dbraw/zinc/65/37/35/273653735.db2.gz SIYVKIMZJJDOMI-KCJUWKMLSA-N 0 3 340.767 1.443 20 5 EDBDHN COc1ccc([C@@H](O)[C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000378251312 274117142 /nfs/dbraw/zinc/11/71/42/274117142.db2.gz VAMUAZLMNIDLRH-DOTOQJQBSA-N 0 3 346.387 1.998 20 5 EDBDHN COCCN(CCN(C)C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347949605 277216252 /nfs/dbraw/zinc/21/62/52/277216252.db2.gz VLNONWIQCSRJGR-LBPRGKRZSA-N 0 3 341.383 1.874 20 5 EDBDHN COCCN1CCC(Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000288289056 288450636 /nfs/dbraw/zinc/45/06/36/288450636.db2.gz GSARAQXICFSXCC-UHFFFAOYSA-N 0 3 338.364 1.299 20 5 EDBDHN Cc1c(CC(=O)N[C@@H](CO)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000288547914 288511645 /nfs/dbraw/zinc/51/16/45/288511645.db2.gz PIJSXOPLKDKMIG-OAHLLOKOSA-N 0 3 335.404 1.409 20 5 EDBDHN COC(=O)CC[C@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000288590312 288522078 /nfs/dbraw/zinc/52/20/78/288522078.db2.gz MUIVELJCPRNLIS-LBPRGKRZSA-N 0 3 343.767 1.487 20 5 EDBDHN C[C@H](CN1CCCCCC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000331485810 289576639 /nfs/dbraw/zinc/57/66/39/289576639.db2.gz QLSLERKXUIWVST-CYBMUJFWSA-N 0 3 336.392 1.137 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000268270934 297061431 /nfs/dbraw/zinc/06/14/31/297061431.db2.gz SPHVWQLJTSHJHV-SKDRFNHKSA-N 0 3 347.824 1.819 20 5 EDBDHN N=C(NO)[C@@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000368649632 295006402 /nfs/dbraw/zinc/00/64/02/295006402.db2.gz HHIYPMWSUTYEPW-ZDUSSCGKSA-N 0 3 347.375 1.294 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000419982656 304720489 /nfs/dbraw/zinc/72/04/89/304720489.db2.gz AEWBYGQQKQFPJO-KRWDZBQOSA-N 0 3 348.403 1.368 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293477156 302971858 /nfs/dbraw/zinc/97/18/58/302971858.db2.gz XVCOWNAPWHFMBQ-UHFFFAOYSA-N 0 3 330.388 1.817 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000293879412 303032925 /nfs/dbraw/zinc/03/29/25/303032925.db2.gz KXXDDLHHPWRKGZ-JKSUJKDBSA-N 0 3 333.388 1.838 20 5 EDBDHN CN1CCC[C@@]2(CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294154765 303070283 /nfs/dbraw/zinc/07/02/83/303070283.db2.gz NOLIEVIELDAFBP-QGZVFWFLSA-N 0 3 332.404 1.951 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000448601357 447333399 /nfs/dbraw/zinc/33/33/99/447333399.db2.gz SHXPHAOQYAMIEU-JTQLQIEISA-N 0 3 325.340 1.957 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(NC3CCN([C@@H]4CCOC4)CC3)nn21 ZINC000301970564 303705668 /nfs/dbraw/zinc/70/56/68/303705668.db2.gz RNNXMZAUSYCBKL-GFCCVEGCSA-N 0 3 332.364 1.303 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000439883283 305203198 /nfs/dbraw/zinc/20/31/98/305203198.db2.gz SUXUGDDAOOHNOK-HNNXBMFYSA-N 0 3 338.364 1.182 20 5 EDBDHN CNc1nc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456046481 305450733 /nfs/dbraw/zinc/45/07/33/305450733.db2.gz GEPWNZDOXUNZTR-NWDGAFQWSA-N 0 3 333.392 1.730 20 5 EDBDHN CC(C)(C)C(=O)NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515467198 305722500 /nfs/dbraw/zinc/72/25/00/305722500.db2.gz SKRQKNDYVVNGRV-ZDUSSCGKSA-N 0 3 339.392 1.086 20 5 EDBDHN O=C(NC[C@H]1CNCCO1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414928368 447360298 /nfs/dbraw/zinc/36/02/98/447360298.db2.gz AVXLBLYGCKVQBZ-SECBINFHSA-N 0 3 346.290 1.306 20 5 EDBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cn2)Cc2ccccc2C1 ZINC000531628490 305963702 /nfs/dbraw/zinc/96/37/02/305963702.db2.gz QXSQGAMWLVMNAA-UHFFFAOYSA-N 0 3 340.383 1.819 20 5 EDBDHN CS(=O)(=O)C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000550700252 306153706 /nfs/dbraw/zinc/15/37/06/306153706.db2.gz WHCVGMKQXOMCIV-CQSZACIVSA-N 0 3 328.390 1.386 20 5 EDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000073995071 441379516 /nfs/dbraw/zinc/37/95/16/441379516.db2.gz CWQDKFRUHFJHMZ-CMPLNLGQSA-N 0 3 329.360 1.780 20 5 EDBDHN CCN1CCN([C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000107369858 441412572 /nfs/dbraw/zinc/41/25/72/441412572.db2.gz SRHMNINFDJFSPM-MRXNPFEDSA-N 0 3 348.447 1.685 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000108406624 441452230 /nfs/dbraw/zinc/45/22/30/441452230.db2.gz YFVIQQLRDRDDAR-LLVKDONJSA-N 0 3 343.405 1.224 20 5 EDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000088348471 441504326 /nfs/dbraw/zinc/50/43/26/441504326.db2.gz GTKLWDYFCKBURT-UHFFFAOYSA-N 0 3 332.360 1.974 20 5 EDBDHN COC(=O)c1cc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000113230664 441590978 /nfs/dbraw/zinc/59/09/78/441590978.db2.gz FLZGHEOZELFKOM-SMDDNHRTSA-N 0 3 347.371 1.690 20 5 EDBDHN CCN1CCN(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000041443149 441653885 /nfs/dbraw/zinc/65/38/85/441653885.db2.gz PCGJDQDUGYYYOB-UHFFFAOYSA-N 0 3 334.420 1.281 20 5 EDBDHN CCN1CCN([C@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000114562995 441667940 /nfs/dbraw/zinc/66/79/40/441667940.db2.gz GUCZJJQUTLLFTE-SFHVURJKSA-N 0 3 332.448 1.849 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115585387 441761447 /nfs/dbraw/zinc/76/14/47/441761447.db2.gz AZUUPLHBKIYJAQ-CYBMUJFWSA-N 0 3 341.433 1.866 20 5 EDBDHN Cc1c(CC(=O)N(C)CCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122117159 441835507 /nfs/dbraw/zinc/83/55/07/441835507.db2.gz BDQLAMQHMGDQLL-UHFFFAOYSA-N 0 3 348.447 1.542 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C[NH3+])CCCC2)c1C ZINC000124057745 441907168 /nfs/dbraw/zinc/90/71/68/441907168.db2.gz GOFIGISMHXDROZ-UHFFFAOYSA-N 0 3 327.406 1.761 20 5 EDBDHN Cc1ccc(NCCCNC(=O)N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000176392970 442217583 /nfs/dbraw/zinc/21/75/83/442217583.db2.gz BMFMHDQSFZICEQ-UHFFFAOYSA-N 0 3 337.424 1.908 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCN(C)c3ccncc32)ccc1[N+](=O)[O-] ZINC000176975083 442279739 /nfs/dbraw/zinc/27/97/39/442279739.db2.gz OJRMTHFIMIDSEL-UHFFFAOYSA-N 0 3 348.384 1.943 20 5 EDBDHN Cc1nn(CCC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000177073446 442294151 /nfs/dbraw/zinc/29/41/51/442294151.db2.gz CGYPAUXXISUWSU-MFKMUULPSA-N 0 3 335.408 1.540 20 5 EDBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000171014089 442299170 /nfs/dbraw/zinc/29/91/70/442299170.db2.gz RZWZIFZSSQBUNB-UHFFFAOYSA-N 0 3 345.403 1.902 20 5 EDBDHN Cc1c(NC(=O)CCN(CC(N)=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000133939422 442441501 /nfs/dbraw/zinc/44/15/01/442441501.db2.gz LVJVYCXJRFQBJL-UHFFFAOYSA-N 0 3 336.392 1.818 20 5 EDBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000178951920 442536815 /nfs/dbraw/zinc/53/68/15/442536815.db2.gz NMSIWTOACVOAGR-CQSZACIVSA-N 0 3 341.433 1.493 20 5 EDBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180476241 442607429 /nfs/dbraw/zinc/60/74/29/442607429.db2.gz ASQANUIGCCBMEA-LLVKDONJSA-N 0 3 335.360 1.928 20 5 EDBDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157859747 442620985 /nfs/dbraw/zinc/62/09/85/442620985.db2.gz XQEGCIAZSBLSOM-KGLIPLIRSA-N 0 3 337.424 1.808 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN[C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000182117736 442737643 /nfs/dbraw/zinc/73/76/43/442737643.db2.gz AGSCIKGIYCXQEG-QGZVFWFLSA-N 0 3 345.403 1.454 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1C ZINC000182146429 442740003 /nfs/dbraw/zinc/74/00/03/442740003.db2.gz YKEDJJDJWDVHJL-PWSUYJOCSA-N 0 3 335.360 1.878 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246709306 442806390 /nfs/dbraw/zinc/80/63/90/442806390.db2.gz ZVXBMFBVFMSVFD-OCCSQVGLSA-N 0 3 341.433 1.864 20 5 EDBDHN COc1ccc(CNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268143701 442867216 /nfs/dbraw/zinc/86/72/16/442867216.db2.gz RTFCLHRKHSVHNL-RISCZKNCSA-N 0 3 348.403 1.885 20 5 EDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000183147474 442889511 /nfs/dbraw/zinc/88/95/11/442889511.db2.gz VJGCNBCLTOZFQS-FZMZJTMJSA-N 0 3 328.390 1.526 20 5 EDBDHN COc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000268299893 442938006 /nfs/dbraw/zinc/93/80/06/442938006.db2.gz XXHRNGYNJUIAHZ-MFKMUULPSA-N 0 3 343.405 1.174 20 5 EDBDHN COc1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000265940848 442977077 /nfs/dbraw/zinc/97/70/77/442977077.db2.gz JEDUDDQLRGGGGA-AAEUAGOBSA-N 0 3 349.387 1.921 20 5 EDBDHN CCO[C@@H]1C[C@](CO)(NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000190009012 443047265 /nfs/dbraw/zinc/04/72/65/443047265.db2.gz KAPUFVKAQJBSBL-ZMSDIMECSA-N 0 3 338.404 1.784 20 5 EDBDHN COCCN(C)CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000266292134 443087834 /nfs/dbraw/zinc/08/78/34/443087834.db2.gz ZUYAGBWFUIHCGW-UHFFFAOYSA-N 0 3 338.408 1.116 20 5 EDBDHN CCS(=O)(=O)N1CC(CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190283067 443081351 /nfs/dbraw/zinc/08/13/51/443081351.db2.gz KCIZLADOSDVIPO-UHFFFAOYSA-N 0 3 347.824 1.619 20 5 EDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CCCCC2)C1 ZINC000269062413 443186745 /nfs/dbraw/zinc/18/67/45/443186745.db2.gz VEOJSYXXUNLCFV-CYBMUJFWSA-N 0 3 336.396 1.061 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN(C[C@@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000245891766 443254559 /nfs/dbraw/zinc/25/45/59/443254559.db2.gz OQKBLWPAPJTITH-STQMWFEESA-N 0 3 326.422 1.778 20 5 EDBDHN NCC(=O)N1CCC[C@@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000414679220 319340951 /nfs/dbraw/zinc/34/09/51/319340951.db2.gz RKBSCKLULOKAGR-OAHLLOKOSA-N 0 3 346.431 1.757 20 5 EDBDHN Cc1c(CC(=O)NC[C@@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000269638171 443374278 /nfs/dbraw/zinc/37/42/78/443374278.db2.gz WSKIFRFHPCWCEN-INIZCTEOSA-N 0 3 337.445 1.999 20 5 EDBDHN CCCc1n[nH]c(C(=O)NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267115308 443347223 /nfs/dbraw/zinc/34/72/23/443347223.db2.gz OGEAUJKWNKPZRV-CQSZACIVSA-N 0 3 341.437 1.438 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(C3CCC3)CC2)c1 ZINC000265056779 443520286 /nfs/dbraw/zinc/52/02/86/443520286.db2.gz XUUFRDKMAURIEX-MRXNPFEDSA-N 0 3 335.404 1.505 20 5 EDBDHN CCCCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000283160044 443544235 /nfs/dbraw/zinc/54/42/35/443544235.db2.gz CWNVZXOKWNCSQP-UHFFFAOYSA-N 0 3 336.392 1.901 20 5 EDBDHN CC(C)N1CC[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452123651 320243740 /nfs/dbraw/zinc/24/37/40/320243740.db2.gz VMMLGFWPMJKOGU-INIZCTEOSA-N 0 3 334.420 1.972 20 5 EDBDHN COc1ccc(CN[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000283825839 443733411 /nfs/dbraw/zinc/73/34/11/443733411.db2.gz DPGPNMVHVIYEOV-IUODEOHRSA-N 0 3 326.393 1.851 20 5 EDBDHN CCCc1n[nH]c(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288265203 443825346 /nfs/dbraw/zinc/82/53/46/443825346.db2.gz GSDRHPNRVHOEBJ-VXGBXAGGSA-N 0 3 335.408 1.969 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CC[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285114996 443861314 /nfs/dbraw/zinc/86/13/14/443861314.db2.gz RDWZILLGDRBVMS-YPMHNXCESA-N 0 3 334.376 1.615 20 5 EDBDHN CCN1CCC(Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000298765196 443861843 /nfs/dbraw/zinc/86/18/43/443861843.db2.gz BYLAECKFFPKEQC-UHFFFAOYSA-N 0 3 328.394 1.138 20 5 EDBDHN CC(C)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000293165117 443940772 /nfs/dbraw/zinc/94/07/72/443940772.db2.gz VCBAUFBZYZJGMF-OAHLLOKOSA-N 0 3 335.404 1.971 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000299305634 444012117 /nfs/dbraw/zinc/01/21/17/444012117.db2.gz DEJSNTOXMOTWOW-ZDUSSCGKSA-N 0 3 334.420 1.517 20 5 EDBDHN CCc1n[nH]c(C(=O)NCCCN2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000277980041 444075104 /nfs/dbraw/zinc/07/51/04/444075104.db2.gz KDDALBDEDSSRBC-LLVKDONJSA-N 0 3 339.396 1.111 20 5 EDBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000562986420 321084810 /nfs/dbraw/zinc/08/48/10/321084810.db2.gz YJSCAWPTYPUWOK-GFCCVEGCSA-N 0 3 341.433 1.441 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCCc3c(F)cccc32)c1 ZINC000567696146 321253629 /nfs/dbraw/zinc/25/36/29/321253629.db2.gz RXJOYIOYQHCKQR-LRDDRELGSA-N 0 3 334.351 1.959 20 5 EDBDHN O=C(CNC[C@H]1CCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000567981225 321270807 /nfs/dbraw/zinc/27/08/07/321270807.db2.gz BBEFHTOTUNZAPJ-MRXNPFEDSA-N 0 3 333.388 1.854 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(F)(c3ccccn3)CC2)c1 ZINC000289334783 444110417 /nfs/dbraw/zinc/11/04/17/444110417.db2.gz LFYRJZMFYIUQJH-CQSZACIVSA-N 0 3 349.366 1.508 20 5 EDBDHN C[C@@H]1NC(=O)CC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000282273216 444133336 /nfs/dbraw/zinc/13/33/36/444133336.db2.gz HSBZLCSBXBUPFW-GZMMTYOYSA-N 0 3 340.767 1.443 20 5 EDBDHN O=C(CCC(=O)N1CCN2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000294684960 444136570 /nfs/dbraw/zinc/13/65/70/444136570.db2.gz SCJHJBSXYKHCRW-OAHLLOKOSA-N 0 3 331.372 1.864 20 5 EDBDHN O=C(CN[C@@H](CO)C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289423811 444139615 /nfs/dbraw/zinc/13/96/15/444139615.db2.gz CJGPBOKPABRPOU-HNNXBMFYSA-N 0 3 333.388 1.625 20 5 EDBDHN CCN1CCN([C@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301851585 444193821 /nfs/dbraw/zinc/19/38/21/444193821.db2.gz XCECVLWWJBFROG-GFCCVEGCSA-N 0 3 333.396 1.075 20 5 EDBDHN Cc1nc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301964297 444198716 /nfs/dbraw/zinc/19/87/16/444198716.db2.gz NRFWSXAWXFFVAF-CQSZACIVSA-N 0 3 333.392 1.217 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000581688407 322209348 /nfs/dbraw/zinc/20/93/48/322209348.db2.gz ZYXAQPPISHIZRI-GOSISDBHSA-N 0 3 347.415 1.707 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000340995781 444621192 /nfs/dbraw/zinc/62/11/92/444621192.db2.gz RYEQRMWQJADIRC-TZMCWYRMSA-N 0 3 335.408 1.789 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])n1 ZINC000344081845 444771355 /nfs/dbraw/zinc/77/13/55/444771355.db2.gz VWRYCZQLDBNNFI-UHFFFAOYSA-N 0 3 346.391 1.717 20 5 EDBDHN O=C(CCN1[C@@H]2CC[C@H]1CNC(=O)C2)Nc1ccccc1[N+](=O)[O-] ZINC000337250481 445003989 /nfs/dbraw/zinc/00/39/89/445003989.db2.gz MTMVNFZXYJJFKX-NEPJUHHUSA-N 0 3 332.360 1.276 20 5 EDBDHN COCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000337460104 445090273 /nfs/dbraw/zinc/09/02/73/445090273.db2.gz JVZFAJNILJTMDQ-ZDUSSCGKSA-N 0 3 337.376 1.661 20 5 EDBDHN COc1ccc(CN[C@@H]2CCO[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000343405849 445216862 /nfs/dbraw/zinc/21/68/62/445216862.db2.gz UFUWRHWSOKWWIT-IUODEOHRSA-N 0 3 332.360 1.957 20 5 EDBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000348142373 445287649 /nfs/dbraw/zinc/28/76/49/445287649.db2.gz NFPOPKJTAOXMKA-CHWSQXEVSA-N 0 3 342.417 1.773 20 5 EDBDHN CCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357291276 445529351 /nfs/dbraw/zinc/52/93/51/445529351.db2.gz OKEKWGZMZBYZAB-CYBMUJFWSA-N 0 3 348.403 1.832 20 5 EDBDHN CCOc1ccc([C@H](C)NCCNc2cnccn2)cc1[N+](=O)[O-] ZINC000349245232 445544197 /nfs/dbraw/zinc/54/41/97/445544197.db2.gz HKAQOUWGOKKTNJ-LBPRGKRZSA-N 0 3 331.376 2.546 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000353733620 445730145 /nfs/dbraw/zinc/73/01/45/445730145.db2.gz AOIGZWYOUCDKQB-LLVKDONJSA-N 0 3 325.365 1.186 20 5 EDBDHN CNc1c(C(=O)Nc2ccn(CCN(C)C)n2)cccc1[N+](=O)[O-] ZINC000361160461 445750399 /nfs/dbraw/zinc/75/03/99/445750399.db2.gz YKIFJULLKBOBQN-UHFFFAOYSA-N 0 3 332.364 1.647 20 5 EDBDHN COc1cnccc1N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000361529258 445805572 /nfs/dbraw/zinc/80/55/72/445805572.db2.gz XBGNCLKWAZJRHZ-UHFFFAOYSA-N 0 3 332.364 1.017 20 5 EDBDHN Cc1c(CC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000361702075 445885489 /nfs/dbraw/zinc/88/54/89/445885489.db2.gz UFKVFDDOYWRHEY-LSDHHAIUSA-N 0 3 333.388 1.425 20 5 EDBDHN COCCCN1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000363648625 445863008 /nfs/dbraw/zinc/86/30/08/445863008.db2.gz MZIQMKOZNSDAFL-UHFFFAOYSA-N 0 3 327.406 1.841 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(Sc2nnnn2C[C@@H]2CCN(C)C2)n1 ZINC000359082871 445932930 /nfs/dbraw/zinc/93/29/30/445932930.db2.gz NIYCFPPWJHCCJW-LLVKDONJSA-N 0 3 349.420 1.696 20 5 EDBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CCCC[C@H]1C ZINC000354270918 446066933 /nfs/dbraw/zinc/06/69/33/446066933.db2.gz CIMHLIJNCBWSGB-OLZOCXBDSA-N 0 3 336.392 1.136 20 5 EDBDHN CCCCOC[C@H](O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365306902 446136769 /nfs/dbraw/zinc/13/67/69/446136769.db2.gz MZCXFIQAVYAQHI-UKRRQHHQSA-N 0 3 326.397 1.606 20 5 EDBDHN COc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000359355454 446170169 /nfs/dbraw/zinc/17/01/69/446170169.db2.gz XBNUFNVQUGGEIO-LBPRGKRZSA-N 0 3 334.376 1.639 20 5 EDBDHN Cc1ccc(N2CCC[C@@H](N(C)CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC000376230654 446392306 /nfs/dbraw/zinc/39/23/06/446392306.db2.gz XQWZQRIUEQZJKV-CQSZACIVSA-N 0 3 345.407 1.491 20 5 EDBDHN COCCNCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423526990 446563023 /nfs/dbraw/zinc/56/30/23/446563023.db2.gz VNAJQXJWUSMUNB-UHFFFAOYSA-N 0 3 347.824 1.693 20 5 EDBDHN C[C@]1(F)CNCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420344154 446517202 /nfs/dbraw/zinc/51/72/02/446517202.db2.gz SGKMDIDVFOTFQZ-AWEZNQCLSA-N 0 3 344.774 1.820 20 5 EDBDHN C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000418786086 446701061 /nfs/dbraw/zinc/70/10/61/446701061.db2.gz RSHOQABESQEWQJ-TYNCELHUSA-N 0 3 348.403 1.358 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CCCN(C)C2)c1F ZINC000412124693 446873158 /nfs/dbraw/zinc/87/31/58/446873158.db2.gz CMRKNLBNKFBEEK-LLVKDONJSA-N 0 3 339.367 1.838 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1F ZINC000412142557 446877788 /nfs/dbraw/zinc/87/77/88/446877788.db2.gz YBQLGVJEDIJWJK-QWRGUYRKSA-N 0 3 339.367 1.884 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375830854 447087157 /nfs/dbraw/zinc/08/71/57/447087157.db2.gz LJZIJCMBMWVLNZ-HOCLYGCPSA-N 0 3 332.404 1.873 20 5 EDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](N)C1 ZINC000375923166 447151388 /nfs/dbraw/zinc/15/13/88/447151388.db2.gz SFXOOVCLPGWYLT-GOEBONIOSA-N 0 3 344.346 1.883 20 5 EDBDHN COc1ccc(OCCN2CCC[C@@H]2Cn2cncn2)c([N+](=O)[O-])c1 ZINC000372637470 447199697 /nfs/dbraw/zinc/19/96/97/447199697.db2.gz BEDNIPWAWRINAM-CYBMUJFWSA-N 0 3 347.375 1.738 20 5 EDBDHN CN(C(=O)CN1CC[C@@H](c2nc[nH]n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000425547997 447223225 /nfs/dbraw/zinc/22/32/25/447223225.db2.gz MVOKZFCJFLTTET-LLVKDONJSA-N 0 3 330.348 1.165 20 5 EDBDHN NC[C@H]1CCCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415486711 447473706 /nfs/dbraw/zinc/47/37/06/447473706.db2.gz QSDIENBJVMTLNW-SECBINFHSA-N 0 3 326.740 1.136 20 5 EDBDHN C[C@@H](C(=O)NC[C@@](C)(O)CCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000420021172 447550482 /nfs/dbraw/zinc/55/04/82/447550482.db2.gz UEKPLKCGVRNWRQ-BZNIZROVSA-N 0 3 341.383 1.656 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000450734317 447559983 /nfs/dbraw/zinc/55/99/83/447559983.db2.gz VNXANVHQPQBGFH-DCAQKATOSA-N 0 3 325.365 1.537 20 5 EDBDHN NC(=O)C1(NCCn2cc([N+](=O)[O-])cn2)C2CC3CC(C2)CC1C3 ZINC000459773967 447760713 /nfs/dbraw/zinc/76/07/13/447760713.db2.gz KZJBVDITHBZOSI-UHFFFAOYSA-N 0 3 333.392 1.061 20 5 EDBDHN CC(C)(CN1CCCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000452093534 447815471 /nfs/dbraw/zinc/81/54/71/447815471.db2.gz XWNBSOJFLSJBSO-UHFFFAOYSA-N 0 3 341.433 1.889 20 5 EDBDHN COC(=O)Nc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000496776282 447902988 /nfs/dbraw/zinc/90/29/88/447902988.db2.gz JGNXXGSGYVUUNT-AWEZNQCLSA-N 0 3 349.347 1.120 20 5 EDBDHN C[C@@H](CO)CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576030140 447953950 /nfs/dbraw/zinc/95/39/50/447953950.db2.gz OXXMLVAWAHWFLL-GFCCVEGCSA-N 0 3 330.406 1.367 20 5 EDBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000555345764 448074119 /nfs/dbraw/zinc/07/41/19/448074119.db2.gz WKGFUJMTGNTROU-BETUJISGSA-N 0 3 336.392 1.609 20 5 EDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000571187520 448121174 /nfs/dbraw/zinc/12/11/74/448121174.db2.gz UZUJBKCYVHNXOC-KRWDZBQOSA-N 0 3 344.371 1.263 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000591028679 448239562 /nfs/dbraw/zinc/23/95/62/448239562.db2.gz AQGFLFLQGXFBSJ-RISCZKNCSA-N 0 3 332.360 1.004 20 5 EDBDHN C[C@@]1(F)CNCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000591442130 448364083 /nfs/dbraw/zinc/36/40/83/448364083.db2.gz DPFHVSJPBDLOED-LLVKDONJSA-N 0 3 333.161 1.890 20 5 EDBDHN CCOc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000572421964 448374206 /nfs/dbraw/zinc/37/42/06/448374206.db2.gz ORWGGQSJTFKTRK-QGZVFWFLSA-N 0 3 349.387 1.180 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000591983892 448610328 /nfs/dbraw/zinc/61/03/28/448610328.db2.gz BLOFLDXKURWWOR-LBPRGKRZSA-N 0 3 347.419 1.425 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592250702 448762836 /nfs/dbraw/zinc/76/28/36/448762836.db2.gz VJUWJDZIUIFMRO-GFCCVEGCSA-N 0 3 349.391 1.487 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCc2ccccn2)cc1 ZINC000579228332 448745337 /nfs/dbraw/zinc/74/53/37/448745337.db2.gz IXSPWGQUPSSRSL-UHFFFAOYSA-N 0 3 349.412 1.986 20 5 EDBDHN COc1cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c([N+](=O)[O-])cc1[O-] ZINC000592374986 448810073 /nfs/dbraw/zinc/81/00/73/448810073.db2.gz OSWYWADARYAXDE-INIZCTEOSA-N 0 3 340.376 1.576 20 5 EDBDHN COc1cc(CNCCCc2ncn(C)n2)c([N+](=O)[O-])cc1OC ZINC000592373269 448810256 /nfs/dbraw/zinc/81/02/56/448810256.db2.gz MTDSBUYHUURMMQ-UHFFFAOYSA-N 0 3 335.364 1.463 20 5 EDBDHN C[C@H](CCN(C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519502041 448773675 /nfs/dbraw/zinc/77/36/75/448773675.db2.gz KNMMJRSENALQSC-GFCCVEGCSA-N 0 3 329.422 1.298 20 5 EDBDHN CC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000592432903 448834383 /nfs/dbraw/zinc/83/43/83/448834383.db2.gz YFUGYRXTYAJIAV-ZANVPECISA-N 0 3 331.319 1.918 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cnn(-c3ccccc3)c2)c1 ZINC000579946932 448917381 /nfs/dbraw/zinc/91/73/81/448917381.db2.gz HNAYHLXUWZHRIQ-INIZCTEOSA-N 0 3 342.359 1.128 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000588814478 448933968 /nfs/dbraw/zinc/93/39/68/448933968.db2.gz NYGUYPOVZCXIDS-HNNXBMFYSA-N 0 3 341.795 1.777 20 5 EDBDHN CCCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592833318 449009133 /nfs/dbraw/zinc/00/91/33/449009133.db2.gz YLUXGMSKFRJAJQ-HNNXBMFYSA-N 0 3 348.403 1.267 20 5 EDBDHN CN1C[C@@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000590012021 449097257 /nfs/dbraw/zinc/09/72/57/449097257.db2.gz OATXZNFWFANRCX-GXTWGEPZSA-N 0 3 329.360 1.781 20 5 EDBDHN COC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(OC)c1 ZINC000595684248 449118270 /nfs/dbraw/zinc/11/82/70/449118270.db2.gz MSQREMCECTYNBH-MRXNPFEDSA-N 0 3 347.371 1.742 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590278838 449123121 /nfs/dbraw/zinc/12/31/21/449123121.db2.gz VCVZOURCTHHIOT-OCCSQVGLSA-N 0 3 346.387 1.313 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC1CC[NH2+]CC1 ZINC000593732850 449168448 /nfs/dbraw/zinc/16/84/48/449168448.db2.gz QOHWLSOXJNRZNQ-UHFFFAOYSA-N 0 3 347.824 1.916 20 5 EDBDHN O=C1CC[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595737278 449139710 /nfs/dbraw/zinc/13/97/10/449139710.db2.gz HSVSRFBOOUFDFP-CJNGLKHVSA-N 0 3 333.388 1.964 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000590399776 449147416 /nfs/dbraw/zinc/14/74/16/449147416.db2.gz LDFWHQIOMJLHKN-UHFFFAOYSA-N 0 3 332.404 1.223 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590589848 449204590 /nfs/dbraw/zinc/20/45/90/449204590.db2.gz RDHIADBRLFLUMQ-OLZOCXBDSA-N 0 3 341.433 1.925 20 5 EDBDHN N[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1F ZINC000595906590 449244731 /nfs/dbraw/zinc/24/47/31/449244731.db2.gz LNXYFZROQISCLZ-VXGBXAGGSA-N 0 3 338.339 1.264 20 5 EDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCN1C1CCCCC1 ZINC000600229144 449254414 /nfs/dbraw/zinc/25/44/14/449254414.db2.gz QOYAZJDWIOQNOC-CQSZACIVSA-N 0 3 335.408 1.705 20 5 EDBDHN CN(C)CCN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000593485702 449304897 /nfs/dbraw/zinc/30/48/97/449304897.db2.gz BGMWIWYSODQRLT-UHFFFAOYSA-N 0 3 326.784 1.458 20 5 EDBDHN NC(=O)c1cc(N2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000596062899 449342487 /nfs/dbraw/zinc/34/24/87/449342487.db2.gz OUANGQMNFZTHDJ-UHFFFAOYSA-N 0 3 327.344 1.415 20 5 EDBDHN CC(C)(NC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000602112449 449355026 /nfs/dbraw/zinc/35/50/26/449355026.db2.gz HULLVSNRSZKDLF-GJZGRUSLSA-N 0 3 333.388 1.809 20 5 EDBDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611554489 449335300 /nfs/dbraw/zinc/33/53/00/449335300.db2.gz RUDGFANNPNQVQA-JFGNBEQYSA-N 0 3 336.314 1.815 20 5 EDBDHN COC(=O)[C@](C)(NC(=O)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000600539905 449431560 /nfs/dbraw/zinc/43/15/60/449431560.db2.gz CYNWMUSRBPZKNX-QGZVFWFLSA-N 0 3 349.387 1.441 20 5 EDBDHN CCN1CCN(CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611701883 449388171 /nfs/dbraw/zinc/38/81/71/449388171.db2.gz RLMQXJLTRSEAIL-UHFFFAOYSA-N 0 3 344.419 1.978 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598598775 449484383 /nfs/dbraw/zinc/48/43/83/449484383.db2.gz VLEXFLWEOHBMED-UHFFFAOYSA-N 0 3 329.422 1.832 20 5 EDBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(N2CC[C@H](O)C2)CC1 ZINC000596537360 449544599 /nfs/dbraw/zinc/54/45/99/449544599.db2.gz DHKMJYPBKKWZBU-HNNXBMFYSA-N 0 3 333.388 1.833 20 5 EDBDHN Cc1cc([N+](=O)[O-])cnc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596423288 449496084 /nfs/dbraw/zinc/49/60/84/449496084.db2.gz KSGSPZPXJZOFOX-QGZVFWFLSA-N 0 3 342.399 2.477 20 5 EDBDHN C[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000598645718 449517291 /nfs/dbraw/zinc/51/72/91/449517291.db2.gz GMRBTKHFZQMUSZ-CHWSQXEVSA-N 0 3 349.387 1.843 20 5 EDBDHN Cn1ncc(C2CC2)c1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594730143 449653368 /nfs/dbraw/zinc/65/33/68/449653368.db2.gz BTKHHJDLVTVADW-CYBMUJFWSA-N 0 3 346.387 1.735 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H](CO)CC(F)(F)F)CC2)cn1 ZINC000602581091 449685500 /nfs/dbraw/zinc/68/55/00/449685500.db2.gz PKBIRHWISQLHOL-LLVKDONJSA-N 0 3 348.325 1.862 20 5 EDBDHN C[C@@H](C[S@](C)=O)N(C)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602616685 449707252 /nfs/dbraw/zinc/70/72/52/449707252.db2.gz WVQVVTPNUKHOBG-MYODQAERSA-N 0 3 340.449 1.657 20 5 EDBDHN C[C@H](C[S@@](C)=O)N(C)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602616686 449707506 /nfs/dbraw/zinc/70/75/06/449707506.db2.gz WVQVVTPNUKHOBG-SFDCACGMSA-N 0 3 340.449 1.657 20 5 EDBDHN CC(C)(C)N1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594800855 449712057 /nfs/dbraw/zinc/71/20/57/449712057.db2.gz IJZOXDCQSWCQSN-CYBMUJFWSA-N 0 3 341.433 1.887 20 5 EDBDHN C[C@H](NC[C@@]1(CO)COCC2(CCC2)N1C)c1ccc([N+](=O)[O-])cc1 ZINC000599063796 449716210 /nfs/dbraw/zinc/71/62/10/449716210.db2.gz HXFLHLQAYQFIRW-KBXCAEBGSA-N 0 3 349.431 1.861 20 5 EDBDHN CN1CCN(CC2CN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000599107144 449739212 /nfs/dbraw/zinc/73/92/12/449739212.db2.gz JPEVQPXMOMIIGR-UHFFFAOYSA-N 0 3 341.415 1.827 20 5 EDBDHN O=[N+]([O-])c1ccc(CCNC[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000602657482 449733522 /nfs/dbraw/zinc/73/35/22/449733522.db2.gz XTFANSPOTWDZFC-CQSZACIVSA-N 0 3 347.337 1.990 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000602786437 449807547 /nfs/dbraw/zinc/80/75/47/449807547.db2.gz TYGSVTFIXKPLTC-AWEZNQCLSA-N 0 3 335.408 1.434 20 5 EDBDHN CC(C)c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594878342 449791238 /nfs/dbraw/zinc/79/12/38/449791238.db2.gz ZUPZNLFVUWINMI-GXTWGEPZSA-N 0 3 346.387 1.102 20 5 EDBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000595101857 449869411 /nfs/dbraw/zinc/86/94/11/449869411.db2.gz HNNDYXJCYJDWHL-GFCCVEGCSA-N 0 3 328.394 1.176 20 5 EDBDHN CC[C@H](NS(=O)(=O)CCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000601364803 449878433 /nfs/dbraw/zinc/87/84/33/449878433.db2.gz MHOCSTRJEZQNNY-AWEZNQCLSA-N 0 3 329.422 1.917 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595122364 449883551 /nfs/dbraw/zinc/88/35/51/449883551.db2.gz XDQKFQPQUOXLFU-VXGBXAGGSA-N 0 3 331.369 1.217 20 5 EDBDHN CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCN(CC)C1 ZINC000595132242 449890570 /nfs/dbraw/zinc/89/05/70/449890570.db2.gz VTKIEOSNPIOLDV-AWEZNQCLSA-N 0 3 348.403 1.784 20 5 EDBDHN Cc1cc(S(=O)(=O)NC2(CN(C)C)CCC2)c(F)cc1[N+](=O)[O-] ZINC000601409035 449924788 /nfs/dbraw/zinc/92/47/88/449924788.db2.gz HSKBOSZGVJQAIZ-UHFFFAOYSA-N 0 3 345.396 1.805 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000609257764 449984732 /nfs/dbraw/zinc/98/47/32/449984732.db2.gz DQTRZZDRZJWLCE-CVEARBPZSA-N 0 3 346.387 1.868 20 5 EDBDHN O=C(N[C@@H](CO)CN1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000603053859 450038640 /nfs/dbraw/zinc/03/86/40/450038640.db2.gz UBODAGPNHIWPLK-OAHLLOKOSA-N 0 3 347.415 1.589 20 5 EDBDHN CN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000609557333 450051797 /nfs/dbraw/zinc/05/17/97/450051797.db2.gz XKXFHUJBHAJQQA-OAHLLOKOSA-N 0 3 348.403 1.852 20 5 EDBDHN O=C(NCCCO)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609626464 450074468 /nfs/dbraw/zinc/07/44/68/450074468.db2.gz XJSOYGVUTCBMAR-UHFFFAOYSA-N 0 3 335.404 1.348 20 5 EDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597606962 450143397 /nfs/dbraw/zinc/14/33/97/450143397.db2.gz ZNZIRWGGXFGOQX-GFCCVEGCSA-N 0 3 335.360 1.880 20 5 EDBDHN COCCNC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000603840916 450357378 /nfs/dbraw/zinc/35/73/78/450357378.db2.gz MBKMWOPVUCSGDL-UHFFFAOYSA-N 0 3 335.404 1.878 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)CCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000187733060 533895794 /nfs/dbraw/zinc/89/57/94/533895794.db2.gz GMBRJYWLHHZRSP-UHFFFAOYSA-N 0 3 334.376 1.394 20 5 EDBDHN C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cn1ccnc1 ZINC000153591655 534050383 /nfs/dbraw/zinc/05/03/83/534050383.db2.gz NRUCYIRCDGCEQW-JTQLQIEISA-N 0 3 328.332 1.734 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(n3cncn3)CC2)c1 ZINC000363376719 527390949 /nfs/dbraw/zinc/39/09/49/527390949.db2.gz PPBINSQPWNIOKU-OAHLLOKOSA-N 0 3 347.375 1.263 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N(C)CCN(C)C2CC2)cc([N+](=O)[O-])c1 ZINC000186739526 528135280 /nfs/dbraw/zinc/13/52/80/528135280.db2.gz FSNASXJNEQGZGQ-UHFFFAOYSA-N 0 3 349.387 1.938 20 5 EDBDHN CCN(CCO)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000183961830 528548083 /nfs/dbraw/zinc/54/80/83/528548083.db2.gz UPBBKIPYWQQXKI-UHFFFAOYSA-N 0 3 337.401 1.854 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000263981787 535707253 /nfs/dbraw/zinc/70/72/53/535707253.db2.gz BNFMFYXIAQGCLJ-LBPRGKRZSA-N 0 3 348.407 1.817 20 5 EDBDHN CN(C)CCOCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000345941252 535900592 /nfs/dbraw/zinc/90/05/92/535900592.db2.gz VEQRVIPMKDTIPH-UHFFFAOYSA-N 0 3 347.375 1.089 20 5 EDBDHN CC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)nn(C)c1C ZINC000347950190 535907777 /nfs/dbraw/zinc/90/77/77/535907777.db2.gz CHKUGOQNXUVZOO-KGLIPLIRSA-N 0 3 336.396 1.243 20 5 EDBDHN CN1C(=O)N[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000345675303 536326794 /nfs/dbraw/zinc/32/67/94/536326794.db2.gz MFRVYGNHIWVNGS-QWHCGFSZSA-N 0 3 347.375 1.021 20 5 EDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246575545 536469591 /nfs/dbraw/zinc/46/95/91/536469591.db2.gz CEIKNSAYYRKZDW-XJKSGUPXSA-N 0 3 333.388 1.916 20 5 EDBDHN Cc1c(CO)cc([N+](=O)[O-])c(N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000732043866 578688263 /nfs/dbraw/zinc/68/82/63/578688263.db2.gz TZRODLUCJFVNEI-LBPRGKRZSA-N 0 3 336.348 1.588 20 5 EDBDHN CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC000736349734 578981327 /nfs/dbraw/zinc/98/13/27/578981327.db2.gz JVABXVCYUNFEGC-SNVBAGLBSA-N 0 3 332.368 1.456 20 5 EDBDHN CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC000736349734 578981328 /nfs/dbraw/zinc/98/13/28/578981328.db2.gz JVABXVCYUNFEGC-SNVBAGLBSA-N 0 3 332.368 1.456 20 5 EDBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000736842735 579025737 /nfs/dbraw/zinc/02/57/37/579025737.db2.gz VYWAZITWPPVYEZ-LBPRGKRZSA-N 0 3 329.364 1.448 20 5 EDBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000736842735 579025738 /nfs/dbraw/zinc/02/57/38/579025738.db2.gz VYWAZITWPPVYEZ-LBPRGKRZSA-N 0 3 329.364 1.448 20 5 EDBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000736842735 579025739 /nfs/dbraw/zinc/02/57/39/579025739.db2.gz VYWAZITWPPVYEZ-LBPRGKRZSA-N 0 3 329.364 1.448 20 5 EDBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000736842735 579025740 /nfs/dbraw/zinc/02/57/40/579025740.db2.gz VYWAZITWPPVYEZ-LBPRGKRZSA-N 0 3 329.364 1.448 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000750036264 579749245 /nfs/dbraw/zinc/74/92/45/579749245.db2.gz KHKMIHQKOCWHGC-ROUUACIJSA-N 0 3 349.431 1.815 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000758332478 579980125 /nfs/dbraw/zinc/98/01/25/579980125.db2.gz CAKCSXOBXDMCPM-FZMZJTMJSA-N 0 3 347.371 1.385 20 5 EDBDHN COc1ccc(OCCOC(=O)C2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000772529627 580314669 /nfs/dbraw/zinc/31/46/69/580314669.db2.gz WIQHKVSSPMUDPG-LLVKDONJSA-N 0 3 338.316 1.004 20 5 EDBDHN COC(=O)CC1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000776591879 580423015 /nfs/dbraw/zinc/42/30/15/580423015.db2.gz QSGYIBBSJGBQLB-AWEZNQCLSA-N 0 3 338.360 1.330 20 5 EDBDHN C[C@H]1CN(CC(C)(C)O)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000781945063 580560888 /nfs/dbraw/zinc/56/08/88/580560888.db2.gz YCPCVMQYHVMUDG-BBRMVZONSA-N 0 3 337.420 1.405 20 5 EDBDHN O=C1NC2(CO1)CCN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000784468997 580621671 /nfs/dbraw/zinc/62/16/71/580621671.db2.gz MKRSWXURMHWSQB-UHFFFAOYSA-N 0 3 335.360 1.938 20 5 EDBDHN O=[N+]([O-])CCN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000791052934 580783588 /nfs/dbraw/zinc/78/35/88/580783588.db2.gz PRSKUROLVOCWOZ-INIZCTEOSA-N 0 3 333.436 1.192 20 5 EDBDHN COc1ccc(CNC(=O)N2CCC23CCN(C)CC3)cc1[N+](=O)[O-] ZINC000892210660 590866738 /nfs/dbraw/zinc/86/67/38/590866738.db2.gz FSLISROKGLSQRT-UHFFFAOYSA-N 0 3 348.403 1.983 20 5 EDBDHN COc1c(O)ccc(CN[C@H]2CCN(CC(F)F)C2)c1[N+](=O)[O-] ZINC000894967497 591501739 /nfs/dbraw/zinc/50/17/39/591501739.db2.gz TTYBGDASJJGPHV-JTQLQIEISA-N 0 3 331.319 1.738 20 5 EDBDHN O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C12CCN(CC1)C2 ZINC000899946896 591834587 /nfs/dbraw/zinc/83/45/87/591834587.db2.gz KFXYKURFYUCPDC-UHFFFAOYSA-N 0 3 330.388 1.339 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000907389887 592622583 /nfs/dbraw/zinc/62/25/83/592622583.db2.gz VZZYCNUMRZFHOF-CYBMUJFWSA-N 0 3 331.731 1.184 20 5 EDBDHN O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCCNCC1 ZINC000911656561 592978465 /nfs/dbraw/zinc/97/84/65/592978465.db2.gz RVLIJXPQNNQRQD-UHFFFAOYSA-N 0 3 329.360 1.275 20 5 EDBDHN CC(COC(=O)c1cc2c(c(Br)c1)OCO2)[N+](=O)[O-] ZINC000813105080 593517636 /nfs/dbraw/zinc/51/76/36/593517636.db2.gz VGNYXQRCRSSBEC-LURJTMIESA-N 0 3 332.106 2.000 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(-n3ccnc3)cc2)c1 ZINC000818979846 593732085 /nfs/dbraw/zinc/73/20/85/593732085.db2.gz BQPQHFUDIFGBER-INIZCTEOSA-N 0 3 342.359 1.128 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000819310677 593750039 /nfs/dbraw/zinc/75/00/39/593750039.db2.gz CQKRINTXPPVSTQ-FZMZJTMJSA-N 0 3 328.390 1.043 20 5 EDBDHN Nc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000823997675 593904315 /nfs/dbraw/zinc/90/43/15/593904315.db2.gz GNLOEUSSIUXWMN-NWDGAFQWSA-N 0 3 335.364 1.162 20 5 EDBDHN CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821181621 593984911 /nfs/dbraw/zinc/98/49/11/593984911.db2.gz NMCIENYPEWVYIL-LBPRGKRZSA-N 0 3 331.380 1.695 20 5 EDBDHN CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821181621 593984912 /nfs/dbraw/zinc/98/49/12/593984912.db2.gz NMCIENYPEWVYIL-LBPRGKRZSA-N 0 3 331.380 1.695 20 5 EDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC1CCN(C)CC1 ZINC000822231138 594015426 /nfs/dbraw/zinc/01/54/26/594015426.db2.gz BEARUQJCMYLFIT-UHFFFAOYSA-N 0 3 338.339 1.516 20 5 EDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@H]1CCCN1C ZINC000823309979 594183573 /nfs/dbraw/zinc/18/35/73/594183573.db2.gz FGRPJMOQUMNDTA-SNVBAGLBSA-N 0 3 338.339 1.516 20 5 EDBDHN Cc1ccc(CNC(=O)c2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000825640466 594210343 /nfs/dbraw/zinc/21/03/43/594210343.db2.gz FRTNIVRCQOEUMU-UHFFFAOYSA-N 0 3 331.376 1.591 20 5 EDBDHN CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CN(C)C ZINC000831730311 594697065 /nfs/dbraw/zinc/69/70/65/594697065.db2.gz BJJMYLSJKLBTLV-NSHDSACASA-N 0 3 329.784 1.945 20 5 EDBDHN CCO[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000831776048 594702092 /nfs/dbraw/zinc/70/20/92/594702092.db2.gz DEGSGPGGRQDMIL-CQSZACIVSA-N 0 3 325.365 1.057 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000843066307 595279221 /nfs/dbraw/zinc/27/92/21/595279221.db2.gz UTCOUWUZAXVLFV-NVXWUHKLSA-N 0 3 346.387 1.484 20 5 EDBDHN Cc1cccc([C@@H](O)CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000843086430 595284040 /nfs/dbraw/zinc/28/40/40/595284040.db2.gz GDDOFIZGUCEIAL-WBVHZDCISA-N 0 3 346.383 1.966 20 5 EDBDHN CN1CCCC[C@@H]1CN[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000846701370 595303904 /nfs/dbraw/zinc/30/39/04/595303904.db2.gz FAXZLYBAJXPDJM-HUUCEWRRSA-N 0 3 346.387 1.301 20 5 EDBDHN C[C@H]1C[NH2+]CC[C@@H]1[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766416 595600963 /nfs/dbraw/zinc/60/09/63/595600963.db2.gz NKPPTPNKZHEIPU-CABZTGNLSA-N 0 3 329.303 1.681 20 5 EDBDHN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000860777331 595792069 /nfs/dbraw/zinc/79/20/69/595792069.db2.gz NNTMIEAINDVVGA-JRPNMDOOSA-N 0 3 346.380 1.609 20 5 EDBDHN CC([C@@H](OC(=O)[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1F)[N+](=O)[O-] ZINC000860855131 595818531 /nfs/dbraw/zinc/81/85/31/595818531.db2.gz RSKVQRQFMJWYTO-WRSRJMLGSA-N 0 3 340.307 1.108 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1 ZINC000856490165 596005027 /nfs/dbraw/zinc/00/50/27/596005027.db2.gz XETASBOHXUWSBB-GOEBONIOSA-N 0 3 346.387 1.544 20 5 EDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000865061331 596459478 /nfs/dbraw/zinc/45/94/78/596459478.db2.gz XVKNRKHYYZWAQO-OLZOCXBDSA-N 0 3 337.351 1.256 20 5 EDBDHN CC(COC(=O)c1cc2ncc(Br)cn2n1)[N+](=O)[O-] ZINC000870377063 596857282 /nfs/dbraw/zinc/85/72/82/596857282.db2.gz OKUXJRNKJSWXHR-ZCFIWIBFSA-N 0 3 329.110 1.314 20 5 EDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000874833539 597190558 /nfs/dbraw/zinc/19/05/58/597190558.db2.gz OGJIWZQSSGNUFJ-VXGBXAGGSA-N 0 3 347.400 1.908 20 5 EDBDHN CN(CC(=O)N1CC[C@H]2[C@H]1CCCN2C)c1ccccc1[N+](=O)[O-] ZINC000874836361 597191411 /nfs/dbraw/zinc/19/14/11/597191411.db2.gz GEZVJZYGZYLREF-LSDHHAIUSA-N 0 3 332.404 1.726 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCn4ccnc43)CC2)cn1 ZINC000877556620 597535025 /nfs/dbraw/zinc/53/50/25/597535025.db2.gz IHZJUEDOIOYLJV-CQSZACIVSA-N 0 3 328.376 1.890 20 5 EDBDHN CN1c2ccccc2C[C@@H](NC2CC(n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000877622812 597542123 /nfs/dbraw/zinc/54/21/23/597542123.db2.gz DAWJFSGFOXYXNC-SSDMNJCBSA-N 0 3 341.371 1.672 20 5 EDBDHN CN1CCN(C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000879592586 597648911 /nfs/dbraw/zinc/64/89/11/597648911.db2.gz MFJKUQIJKKSMLU-UHFFFAOYSA-N 0 3 336.411 1.946 20 5 EDBDHN CCN1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(NC[C@H]2CCN2CC)n1 ZINC000882958850 598116685 /nfs/dbraw/zinc/11/66/85/598116685.db2.gz MLGGDGYQXLJQBM-CHWSQXEVSA-N 0 3 349.439 1.397 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)C2CCC2)CC1 ZINC000939898885 700021377 /nfs/dbraw/zinc/02/13/77/700021377.db2.gz VWPXVVNOMIONFJ-UHFFFAOYSA-N 0 3 335.408 1.599 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)C2CCCC2)CC1 ZINC000997467363 703685002 /nfs/dbraw/zinc/68/50/02/703685002.db2.gz ZIQHBVOSNHPRLR-UHFFFAOYSA-N 0 3 349.435 1.847 20 5 EDBDHN O=C(N[C@H]1CC[C@H](NCc2nc(C3CC3)no2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034642319 710317865 /nfs/dbraw/zinc/31/78/65/710317865.db2.gz ACIOFMHDGGJHDR-FDYHWXHSSA-N 0 3 349.391 1.129 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCCCN1CCc2ccccc2C1 ZINC000052579760 214135114 /nfs/dbraw/zinc/13/51/14/214135114.db2.gz DELMRMUJNZGMMM-UHFFFAOYSA-N 0 3 343.387 1.356 20 5 EDBDHN CC(C)Oc1cc(C(=O)NC[C@@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000412203738 303983433 /nfs/dbraw/zinc/98/34/33/303983433.db2.gz GTIHHHXGUWIVSB-MRXNPFEDSA-N 0 3 339.392 1.424 20 5 EDBDHN Cc1cccc(CN(CCN(C)C)C(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000103113349 219256033 /nfs/dbraw/zinc/25/60/33/219256033.db2.gz CXBIRKSWLJSXNP-UHFFFAOYSA-N 0 3 345.403 1.690 20 5 EDBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180546677 233899181 /nfs/dbraw/zinc/89/91/81/233899181.db2.gz KAZYOGFPTWCGHB-IJLUTSLNSA-N 0 3 335.408 1.668 20 5 EDBDHN CN1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131956746 138368172 /nfs/dbraw/zinc/36/81/72/138368172.db2.gz AICQXEPRQBSHAV-SECBINFHSA-N 0 3 338.368 1.823 20 5 EDBDHN O=C(N[C@@H](CO)CN1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000413824224 304078442 /nfs/dbraw/zinc/07/84/42/304078442.db2.gz WIXZIPLKNWSPCT-GFCCVEGCSA-N 0 3 346.387 1.653 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](CN2CCOCC2)C1 ZINC000129307888 223042720 /nfs/dbraw/zinc/04/27/20/223042720.db2.gz PQFGVVODLOPKMH-OAHLLOKOSA-N 0 3 335.404 1.628 20 5 EDBDHN NC(=O)C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000192660470 138950700 /nfs/dbraw/zinc/95/07/00/138950700.db2.gz UTFCRKCWGBJPAG-OAHLLOKOSA-N 0 3 333.388 1.844 20 5 EDBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000195188450 139009352 /nfs/dbraw/zinc/00/93/52/139009352.db2.gz JOYBUTGMHGKBEH-INIZCTEOSA-N 0 3 332.404 1.333 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@](C)(C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000237239687 139045546 /nfs/dbraw/zinc/04/55/46/139045546.db2.gz RFJLFSJXOWLZLU-AWEZNQCLSA-N 0 3 345.421 1.645 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)CN1 ZINC000237375235 139049494 /nfs/dbraw/zinc/04/94/94/139049494.db2.gz QPRPINWSTXGZCC-VXGBXAGGSA-N 0 3 329.360 1.603 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCC[NH2+]C2)c1C ZINC000237779432 139060087 /nfs/dbraw/zinc/06/00/87/139060087.db2.gz GODSCCYPTJJUIF-ZDUSSCGKSA-N 0 3 341.433 1.880 20 5 EDBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1NCCc2ccccc21 ZINC000262336192 139271126 /nfs/dbraw/zinc/27/11/26/139271126.db2.gz HGYZVFMSUBSWBG-HNNXBMFYSA-N 0 3 341.367 1.977 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]CC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000181226001 533058122 /nfs/dbraw/zinc/05/81/22/533058122.db2.gz WOOMDHNOUQAZLB-UHFFFAOYSA-N 0 3 343.405 1.271 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NCCn1cccn1 ZINC000112548187 220347133 /nfs/dbraw/zinc/34/71/33/220347133.db2.gz NVJDTAWPYWLBPN-LLVKDONJSA-N 0 3 333.348 1.417 20 5 EDBDHN CCN(CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000263687546 139352936 /nfs/dbraw/zinc/35/29/36/139352936.db2.gz GMLOYGXKKZKIME-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN CCN1CCC(n2nccc2NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000263855742 139364892 /nfs/dbraw/zinc/36/48/92/139364892.db2.gz GBCJBHVRVXCCAU-UHFFFAOYSA-N 0 3 347.379 1.732 20 5 EDBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@]1(O)CN2CCC1CC2 ZINC000493492532 255211782 /nfs/dbraw/zinc/21/17/82/255211782.db2.gz SJVFNGYXEGXTBT-OSJSJHBBSA-N 0 3 331.372 1.181 20 5 EDBDHN C[C@@H]1C[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000495041502 255266501 /nfs/dbraw/zinc/26/65/01/255266501.db2.gz FHSWXQBSEFEXEU-GRYCIOLGSA-N 0 3 327.406 1.507 20 5 EDBDHN COCCN(C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117755453 221086858 /nfs/dbraw/zinc/08/68/58/221086858.db2.gz HLRABBLOCMYIAJ-UHFFFAOYSA-N 0 3 343.811 1.875 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000118898452 221202747 /nfs/dbraw/zinc/20/27/47/221202747.db2.gz HVUHKSJQRIDBQN-GFCCVEGCSA-N 0 3 334.376 1.300 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](Cn2ccnn2)C1 ZINC000119093368 221242152 /nfs/dbraw/zinc/24/21/52/221242152.db2.gz NHVCMUZNIZLUOY-CQSZACIVSA-N 0 3 331.376 1.977 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CCO)CCN1CCOCC1 ZINC000347379765 533383509 /nfs/dbraw/zinc/38/35/09/533383509.db2.gz WMHUXRHHRKJGJF-SSZFMOIBSA-N 0 3 349.431 1.625 20 5 EDBDHN COc1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000129478846 533567840 /nfs/dbraw/zinc/56/78/40/533567840.db2.gz DTHXPYMYPBQNDW-OAHLLOKOSA-N 0 3 335.404 1.758 20 5 EDBDHN Cn1cc(CNC[C@]2(O)CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000267063855 139580552 /nfs/dbraw/zinc/58/05/52/139580552.db2.gz POFPVHFJSAYWJJ-MRXNPFEDSA-N 0 3 348.428 1.953 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC[NH2+]C1 ZINC000070120894 296499770 /nfs/dbraw/zinc/49/97/70/296499770.db2.gz FXZCQHFSTHHLAI-SNVBAGLBSA-N 0 3 333.797 1.669 20 5 EDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCN(C2CCC2)C1 ZINC000344743750 143006080 /nfs/dbraw/zinc/00/60/80/143006080.db2.gz SKAFOISLHWANIE-LLVKDONJSA-N 0 3 333.392 1.518 20 5 EDBDHN COC(=O)[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000347050692 143276647 /nfs/dbraw/zinc/27/66/47/143276647.db2.gz RCGYNYHWZXYNAH-OSAQELSMSA-N 0 3 338.360 1.218 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000416496916 304325391 /nfs/dbraw/zinc/32/53/91/304325391.db2.gz RHEHICDGEDJOIN-GFCCVEGCSA-N 0 3 327.406 1.442 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351748341 143603379 /nfs/dbraw/zinc/60/33/79/143603379.db2.gz HRBLEZLIIYAEAI-LBPRGKRZSA-N 0 3 340.355 1.966 20 5 EDBDHN COc1ccc(CNC(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000353374632 149384207 /nfs/dbraw/zinc/38/42/07/149384207.db2.gz YBFQQWCSZJCALI-UHFFFAOYSA-N 0 3 336.392 1.841 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000355363084 150234756 /nfs/dbraw/zinc/23/47/56/150234756.db2.gz FATDBMYWGXAJFH-HOTGVXAUSA-N 0 3 333.388 1.838 20 5 EDBDHN CN(C)C1(CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000357958660 151211229 /nfs/dbraw/zinc/21/12/29/151211229.db2.gz WCFNNBHQSIEZJP-UHFFFAOYSA-N 0 3 348.403 1.983 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC000357974055 151217856 /nfs/dbraw/zinc/21/78/56/151217856.db2.gz LSCZVPQXMVIIDP-JSGCOSHPSA-N 0 3 348.403 1.982 20 5 EDBDHN CN(C(=O)CN1CC[C@@H]2CCN(C)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370148812 155348710 /nfs/dbraw/zinc/34/87/10/155348710.db2.gz CMXMHNIFFKHNPC-BBRMVZONSA-N 0 3 332.404 1.584 20 5 EDBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21)c1[nH]ncc1[N+](=O)[O-] ZINC000367197927 154037728 /nfs/dbraw/zinc/03/77/28/154037728.db2.gz WFIQVAIOLHTFJJ-IMRBUKKESA-N 0 3 327.344 1.178 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NC2CC(c3ccccn3)C2)cc1 ZINC000368020328 154371597 /nfs/dbraw/zinc/37/15/97/154371597.db2.gz VJWSEBMCHSDYTQ-VKYMVXLJSA-N 0 3 343.383 1.920 20 5 EDBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2NCCc3ccccc32)c1[N+](=O)[O-] ZINC000375961659 157701184 /nfs/dbraw/zinc/70/11/84/157701184.db2.gz CLNNZTPULKDHRY-AWEZNQCLSA-N 0 3 343.387 1.887 20 5 EDBDHN CN(CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC000272946107 273024492 /nfs/dbraw/zinc/02/44/92/273024492.db2.gz FKDQNMNASHGDHU-HNNXBMFYSA-N 0 3 332.360 1.298 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000273470040 268045907 /nfs/dbraw/zinc/04/59/07/268045907.db2.gz OLAOERUXHROENG-LLVKDONJSA-N 0 3 326.328 1.528 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273798678 268082870 /nfs/dbraw/zinc/08/28/70/268082870.db2.gz ABWXPYWSTSYVFB-INIZCTEOSA-N 0 3 341.383 1.440 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)[C@@H](C)CO ZINC000274035450 268100371 /nfs/dbraw/zinc/10/03/71/268100371.db2.gz OAPJZGOQKWIPKG-DCAQKATOSA-N 0 3 325.365 1.537 20 5 EDBDHN CCN(CCO)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000274441482 268140159 /nfs/dbraw/zinc/14/01/59/268140159.db2.gz SOKTZIQSPWJZEK-UHFFFAOYSA-N 0 3 326.353 1.039 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CN(C)C)CCC1 ZINC000281620042 273502075 /nfs/dbraw/zinc/50/20/75/273502075.db2.gz TYZHPLSNQZHNQW-UHFFFAOYSA-N 0 3 327.406 1.666 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCC12CCC2 ZINC000281969805 273561895 /nfs/dbraw/zinc/56/18/95/273561895.db2.gz BKRXVTZDRISOBK-CQSZACIVSA-N 0 3 339.417 1.795 20 5 EDBDHN CN(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1O ZINC000359952390 273819535 /nfs/dbraw/zinc/81/95/35/273819535.db2.gz LZWTVPMMDSZMCO-GJZGRUSLSA-N 0 3 328.372 1.768 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000283911461 274007662 /nfs/dbraw/zinc/00/76/62/274007662.db2.gz JODYGNIUBAXIFN-CYBMUJFWSA-N 0 3 337.376 1.396 20 5 EDBDHN CN1CC[C@@H]2OCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@H]2C1 ZINC000284540084 274238172 /nfs/dbraw/zinc/23/81/72/274238172.db2.gz LPJSGTPFNLHJIX-HOTGVXAUSA-N 0 3 346.387 1.389 20 5 EDBDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000285462225 274551545 /nfs/dbraw/zinc/55/15/45/274551545.db2.gz JVESBJWITYXKEF-VXGBXAGGSA-N 0 3 347.462 1.854 20 5 EDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000173996084 276115028 /nfs/dbraw/zinc/11/50/28/276115028.db2.gz CUYMIZWREXYAIO-LLVKDONJSA-N 0 3 345.396 1.839 20 5 EDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000178943475 276118090 /nfs/dbraw/zinc/11/80/90/276118090.db2.gz UQRIRYSWAFDEPZ-CYBMUJFWSA-N 0 3 343.449 1.787 20 5 EDBDHN CC(C)(C(=O)N[C@@H](CO)CN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000413799231 277125084 /nfs/dbraw/zinc/12/50/84/277125084.db2.gz NJLVENQGRFFHBG-CQSZACIVSA-N 0 3 349.431 1.835 20 5 EDBDHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000337286843 295532244 /nfs/dbraw/zinc/53/22/44/295532244.db2.gz MPIZWSTWITVARB-WDEREUQCSA-N 0 3 333.435 1.464 20 5 EDBDHN CNCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420430016 304757294 /nfs/dbraw/zinc/75/72/94/304757294.db2.gz BUTFBESRQBUZIN-UHFFFAOYSA-N 0 3 341.311 1.454 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC000420448326 304759983 /nfs/dbraw/zinc/75/99/83/304759983.db2.gz LCCJATSSMMSOSF-GFCCVEGCSA-N 0 3 327.406 1.632 20 5 EDBDHN Cc1nn(C)c(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293786057 303018543 /nfs/dbraw/zinc/01/85/43/303018543.db2.gz WMEHZTPZLVBABN-NSHDSACASA-N 0 3 335.408 1.583 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)N(C)C[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000294753164 303143331 /nfs/dbraw/zinc/14/33/31/303143331.db2.gz AOQKNKQCOSILME-NSHDSACASA-N 0 3 338.383 1.824 20 5 EDBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccc(F)cc1 ZINC000298758552 303552952 /nfs/dbraw/zinc/55/29/52/303552952.db2.gz WWCOTFUIRFZHAT-AWEZNQCLSA-N 0 3 347.350 1.943 20 5 EDBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CNCCC2(F)F)n1 ZINC000423466548 304896992 /nfs/dbraw/zinc/89/69/92/304896992.db2.gz ASDXCADJWAPBLH-TUAOUCFPSA-N 0 3 329.351 1.862 20 5 EDBDHN CC(C)[C@H](N)C(=O)NCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423717335 304905476 /nfs/dbraw/zinc/90/54/76/304905476.db2.gz AQGALVXGCQUTGF-INIZCTEOSA-N 0 3 348.403 1.185 20 5 EDBDHN CN(CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000447810948 305285965 /nfs/dbraw/zinc/28/59/65/305285965.db2.gz BYGGOSODJKIUMI-UHFFFAOYSA-N 0 3 334.420 1.933 20 5 EDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N(C)C1CC1 ZINC000448891565 305302958 /nfs/dbraw/zinc/30/29/58/305302958.db2.gz UFHWGTSWWWMWOI-LBPRGKRZSA-N 0 3 343.387 1.993 20 5 EDBDHN COc1cc(C(=O)N(C)C[C@H]2CCN(C)C2)c([N+](=O)[O-])cc1F ZINC000448915041 305303978 /nfs/dbraw/zinc/30/39/78/305303978.db2.gz ZHUUTRMVROSSNZ-JTQLQIEISA-N 0 3 325.340 1.766 20 5 EDBDHN CNS(=O)(=O)CCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552648 305353057 /nfs/dbraw/zinc/35/30/57/305353057.db2.gz WWISWOYLYYXTHR-AWEZNQCLSA-N 0 3 341.433 1.714 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452352626 305391747 /nfs/dbraw/zinc/39/17/47/305391747.db2.gz SGDDLVHZCXGXCH-ZDUSSCGKSA-N 0 3 346.387 1.653 20 5 EDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000057720786 441131449 /nfs/dbraw/zinc/13/14/49/441131449.db2.gz GDUNUXWMOUDKKB-NWDGAFQWSA-N 0 3 348.403 1.312 20 5 EDBDHN C[C@@H]1CCCN1C(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665006 441248057 /nfs/dbraw/zinc/24/80/57/441248057.db2.gz RQBXSVUKJPDXBY-KGLIPLIRSA-N 0 3 347.419 1.877 20 5 EDBDHN CC(C)OCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000081996424 441329946 /nfs/dbraw/zinc/32/99/46/441329946.db2.gz YBJMLQWZHFQCNF-UHFFFAOYSA-N 0 3 325.365 1.807 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000108406785 441452081 /nfs/dbraw/zinc/45/20/81/441452081.db2.gz DBQXUAHZZGVZJP-LBPRGKRZSA-N 0 3 327.406 1.523 20 5 EDBDHN CC(C)CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000053420591 441521034 /nfs/dbraw/zinc/52/10/34/441521034.db2.gz FDRLSRLGKJVUNM-MRXNPFEDSA-N 0 3 337.420 1.608 20 5 EDBDHN CC[C@H](C)[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015404 441614882 /nfs/dbraw/zinc/61/48/82/441614882.db2.gz YAHTWSFPNBZYQU-RYUDHWBXSA-N 0 3 329.422 1.897 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000067209208 441617950 /nfs/dbraw/zinc/61/79/50/441617950.db2.gz KZNNLZNWNYPBTI-CQSZACIVSA-N 0 3 343.387 1.619 20 5 EDBDHN CN(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000041631000 441665576 /nfs/dbraw/zinc/66/55/76/441665576.db2.gz CQIMRHZHGXWQOR-UHFFFAOYSA-N 0 3 327.406 1.748 20 5 EDBDHN O=[N+]([O-])c1cc(F)ccc1NCCCCN1CCN(CCO)CC1 ZINC000114450910 441657597 /nfs/dbraw/zinc/65/75/97/441657597.db2.gz XDAZKXSXNZKAME-UHFFFAOYSA-N 0 3 340.399 1.536 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114643620 441671638 /nfs/dbraw/zinc/67/16/38/441671638.db2.gz MLEYMKIEDWHMRX-OAHLLOKOSA-N 0 3 343.387 1.572 20 5 EDBDHN CN1CCN(C[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000077450583 441782810 /nfs/dbraw/zinc/78/28/10/441782810.db2.gz BJWHRQHLGDPDIW-OAHLLOKOSA-N 0 3 346.431 1.694 20 5 EDBDHN COc1cc(C(=O)N2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000159204636 441794878 /nfs/dbraw/zinc/79/48/78/441794878.db2.gz XQPJABRNOOCYQI-UHFFFAOYSA-N 0 3 342.355 1.961 20 5 EDBDHN O=C(CN1CCN(c2ccncc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000161305186 441982871 /nfs/dbraw/zinc/98/28/71/441982871.db2.gz IHSFCSXLCYUMLR-UHFFFAOYSA-N 0 3 341.371 1.751 20 5 EDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000120092120 442005735 /nfs/dbraw/zinc/00/57/35/442005735.db2.gz QWOWQRCBRDTVPT-ZDUSSCGKSA-N 0 3 337.376 1.064 20 5 EDBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000152334344 442198954 /nfs/dbraw/zinc/19/89/54/442198954.db2.gz ONAJTODPRXOLGG-UHFFFAOYSA-N 0 3 340.336 1.201 20 5 EDBDHN Cc1c(NC(=O)C(=O)NC[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000153778080 442302100 /nfs/dbraw/zinc/30/21/00/442302100.db2.gz MMMITPOSEINZJO-GFCCVEGCSA-N 0 3 334.376 1.300 20 5 EDBDHN Cc1cnc(CCN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000157857452 442620610 /nfs/dbraw/zinc/62/06/10/442620610.db2.gz NHDRXAAHYJVMSQ-GFCCVEGCSA-N 0 3 325.394 1.092 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000173243565 442631713 /nfs/dbraw/zinc/63/17/13/442631713.db2.gz LUTMTXDTQVXASQ-DOMZBBRYSA-N 0 3 341.433 1.697 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000192923227 442698474 /nfs/dbraw/zinc/69/84/74/442698474.db2.gz CZQVMNNDKSIHQH-TXEJJXNPSA-N 0 3 325.390 1.085 20 5 EDBDHN CCOC(=O)c1ccnc(N(C)[C@@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000246586917 442794782 /nfs/dbraw/zinc/79/47/82/442794782.db2.gz PAONWHBGEQFUDP-DGCLKSJQSA-N 0 3 336.392 1.943 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246709319 442806110 /nfs/dbraw/zinc/80/61/10/442806110.db2.gz ZVXBMFBVFMSVFD-TZMCWYRMSA-N 0 3 341.433 1.864 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CN1C1CC1 ZINC000182350324 442759144 /nfs/dbraw/zinc/75/91/44/442759144.db2.gz TUPMCOGPHBCBIM-KOLCDFICSA-N 0 3 333.344 1.679 20 5 EDBDHN COCCN(C)CCCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000188631904 442774565 /nfs/dbraw/zinc/77/45/65/442774565.db2.gz FJCNWLWPRQKFFU-UHFFFAOYSA-N 0 3 339.392 1.610 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2C[C@H](N(C)C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000268298274 442937899 /nfs/dbraw/zinc/93/78/99/442937899.db2.gz NYHGVHLBXHXGQP-HZMBPMFUSA-N 0 3 334.376 1.250 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000268309341 442942069 /nfs/dbraw/zinc/94/20/69/442942069.db2.gz YXONXMTXAKRPFJ-CABZTGNLSA-N 0 3 331.369 1.305 20 5 EDBDHN CN(C)CCN1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255310252 443093363 /nfs/dbraw/zinc/09/33/63/443093363.db2.gz SATDLCCJTYNVPB-SREVYHEPSA-N 0 3 332.404 1.314 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000268884702 443137121 /nfs/dbraw/zinc/13/71/21/443137121.db2.gz WZFBZWRUVNKQEJ-HNNXBMFYSA-N 0 3 348.403 1.346 20 5 EDBDHN COc1cc(CNc2cnn(CCN(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000237292150 443167978 /nfs/dbraw/zinc/16/79/78/443167978.db2.gz YTKUEMJQBURJFY-UHFFFAOYSA-N 0 3 349.391 1.982 20 5 EDBDHN COCCCN(C)CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185285213 443176242 /nfs/dbraw/zinc/17/62/42/443176242.db2.gz XYOZYCKWIAJYED-LBPRGKRZSA-N 0 3 341.383 1.922 20 5 EDBDHN C[C@@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000266869032 443273068 /nfs/dbraw/zinc/27/30/68/443273068.db2.gz MNLJDPMPQKBGCJ-DGCLKSJQSA-N 0 3 327.406 1.669 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264611945 443347062 /nfs/dbraw/zinc/34/70/62/443347062.db2.gz IJDGABFWRAFYOT-UHFFFAOYSA-N 0 3 334.420 1.233 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)C(=O)NCCF ZINC000282763530 443427260 /nfs/dbraw/zinc/42/72/60/443427260.db2.gz OKVHXWISZRFGEQ-MNOVXSKESA-N 0 3 340.355 1.376 20 5 EDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC1(OCCO)CCOCC1 ZINC000282648290 443399077 /nfs/dbraw/zinc/39/90/77/443399077.db2.gz LAVJBBVKYCQTSY-UHFFFAOYSA-N 0 3 344.795 1.896 20 5 EDBDHN COC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273014835 443519147 /nfs/dbraw/zinc/51/91/47/443519147.db2.gz JWJKHGMXGIDAQL-CHWSQXEVSA-N 0 3 338.360 1.220 20 5 EDBDHN C[C@H]1C[C@@H](N2CCOCC2)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000286054692 443635961 /nfs/dbraw/zinc/63/59/61/443635961.db2.gz RFMYEWOERRKYEI-GOEBONIOSA-N 0 3 335.404 1.769 20 5 EDBDHN Cc1ccnc(NCCCN2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000265301019 443600647 /nfs/dbraw/zinc/60/06/47/443600647.db2.gz ZVGLNFUGEITXBB-ZDUSSCGKSA-N 0 3 335.408 1.653 20 5 EDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000286190751 443665292 /nfs/dbraw/zinc/66/52/92/443665292.db2.gz RTUVSMNMBDUBQB-GFCCVEGCSA-N 0 3 333.348 1.359 20 5 EDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000286190751 443665293 /nfs/dbraw/zinc/66/52/93/443665293.db2.gz RTUVSMNMBDUBQB-GFCCVEGCSA-N 0 3 333.348 1.359 20 5 EDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449442177 320190841 /nfs/dbraw/zinc/19/08/41/320190841.db2.gz KAJZNYPOGBVIDZ-AAEUAGOBSA-N 0 3 329.422 1.443 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000454105562 320285160 /nfs/dbraw/zinc/28/51/60/320285160.db2.gz QJDVLFPZYGTPRC-CQSZACIVSA-N 0 3 348.403 1.783 20 5 EDBDHN CCCc1n[n-]c(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000276282110 443681325 /nfs/dbraw/zinc/68/13/25/443681325.db2.gz NBGAYIOPXLMKKW-SNVBAGLBSA-N 0 3 332.364 1.459 20 5 EDBDHN COC(=O)C1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000298479245 443779471 /nfs/dbraw/zinc/77/94/71/443779471.db2.gz CVVJEQVXFQMEES-UHFFFAOYSA-N 0 3 339.348 1.193 20 5 EDBDHN COC(=O)c1cnc(N2CC[C@@]3(C2)CCCN(C)C3)c([N+](=O)[O-])c1 ZINC000292873478 443865805 /nfs/dbraw/zinc/86/58/05/443865805.db2.gz TZKRMRKAAZTFMI-INIZCTEOSA-N 0 3 334.376 1.699 20 5 EDBDHN CNC(=O)c1ccc(NC2CCN(CCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000299074551 443947123 /nfs/dbraw/zinc/94/71/23/443947123.db2.gz PVEQKDYQTFJAIL-UHFFFAOYSA-N 0 3 349.435 1.392 20 5 EDBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548082333 320859308 /nfs/dbraw/zinc/85/93/08/320859308.db2.gz VHBNZOKGTBXYFR-CQSZACIVSA-N 0 3 329.360 1.885 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)c1ccccc1 ZINC000299442867 444047405 /nfs/dbraw/zinc/04/74/05/444047405.db2.gz TXSPWLDLQGKLOA-UHFFFAOYSA-N 0 3 331.376 1.695 20 5 EDBDHN Cc1c(NC(=O)CCN2CCNC[C@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000563149511 321099562 /nfs/dbraw/zinc/09/95/62/321099562.db2.gz JDUQVJJWXNCZSZ-ZDUSSCGKSA-N 0 3 342.346 1.771 20 5 EDBDHN CN1C(=O)N[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000285894669 444144478 /nfs/dbraw/zinc/14/44/78/444144478.db2.gz JLNFNAUTCFNSTM-CABCVRRESA-N 0 3 334.376 1.462 20 5 EDBDHN CN(C(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296265860 444215635 /nfs/dbraw/zinc/21/56/35/444215635.db2.gz OHNLDDXLCUHMEK-NUEKZKHPSA-N 0 3 333.388 1.961 20 5 EDBDHN O=C1CC[C@H](CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000296299287 444218481 /nfs/dbraw/zinc/21/84/81/444218481.db2.gz IGXYOXRUDFBPQY-AWEZNQCLSA-N 0 3 332.404 1.633 20 5 EDBDHN Cc1ccc(C)c(OC[C@@H](O)CNCCn2cc([N+](=O)[O-])cn2)c1C ZINC000575248821 321520959 /nfs/dbraw/zinc/52/09/59/321520959.db2.gz VLUALEQCDNAGMA-INIZCTEOSA-N 0 3 348.403 1.746 20 5 EDBDHN CN1CCC[C@@H](N2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000301745794 444188432 /nfs/dbraw/zinc/18/84/32/444188432.db2.gz OTKBIDKPNCEWPD-CYBMUJFWSA-N 0 3 339.827 1.859 20 5 EDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301807613 444191527 /nfs/dbraw/zinc/19/15/27/444191527.db2.gz FTRBXURBMWPJOU-CQSZACIVSA-N 0 3 336.367 1.652 20 5 EDBDHN CCN(CC)[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301895446 444195799 /nfs/dbraw/zinc/19/57/99/444195799.db2.gz PWXBFBOUVWZAOD-GFCCVEGCSA-N 0 3 341.433 1.919 20 5 EDBDHN Cn1cc(C[C@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000305170490 444262470 /nfs/dbraw/zinc/26/24/70/444262470.db2.gz JLHTZKYTLUQJKJ-DYVFJYSZSA-N 0 3 330.388 1.926 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2C(F)(F)F)c1 ZINC000325066998 444361451 /nfs/dbraw/zinc/36/14/51/444361451.db2.gz ZJVQYQGPXIRULB-LBPRGKRZSA-N 0 3 344.293 1.961 20 5 EDBDHN CN(C)[C@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000579278312 321912361 /nfs/dbraw/zinc/91/23/61/321912361.db2.gz PALYEMPHFNFLSJ-UKRRQHHQSA-N 0 3 349.387 1.820 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000580726736 322088488 /nfs/dbraw/zinc/08/84/88/322088488.db2.gz IMFDCJSSERFTCF-XQQFMLRXSA-N 0 3 339.417 1.651 20 5 EDBDHN CC(C)N(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(N)=O ZINC000343819823 444609841 /nfs/dbraw/zinc/60/98/41/444609841.db2.gz OEABHVIVJQLGKM-UHFFFAOYSA-N 0 3 336.348 1.089 20 5 EDBDHN CCc1n[nH]c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000338611951 444774325 /nfs/dbraw/zinc/77/43/25/444774325.db2.gz YZANFDDNCXELJG-ZDUSSCGKSA-N 0 3 345.403 1.783 20 5 EDBDHN C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1ccccc1[N+](=O)[O-] ZINC000341691933 444951107 /nfs/dbraw/zinc/95/11/07/444951107.db2.gz CNXJZGKVYRSQHW-LBPRGKRZSA-N 0 3 346.391 2.236 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342956729 444966016 /nfs/dbraw/zinc/96/60/16/444966016.db2.gz RQIMMJPSCMIRCH-GFCCVEGCSA-N 0 3 346.387 1.653 20 5 EDBDHN CC(=O)N[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000339183607 445077791 /nfs/dbraw/zinc/07/77/91/445077791.db2.gz CSXGFJOJQMLNKE-CQSZACIVSA-N 0 3 348.403 1.832 20 5 EDBDHN CN1CC=C(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000343346737 445206556 /nfs/dbraw/zinc/20/65/56/445206556.db2.gz RCZOVCSKIBWQKT-UHFFFAOYSA-N 0 3 341.371 1.772 20 5 EDBDHN COCCO[C@H]1COCC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000362516998 445420804 /nfs/dbraw/zinc/42/08/04/445420804.db2.gz VLQKYFRMRYENHN-CJNGLKHVSA-N 0 3 340.376 1.514 20 5 EDBDHN CCCCOC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000362455078 445390754 /nfs/dbraw/zinc/39/07/54/445390754.db2.gz ROSIWJAZLIFJAC-CQSZACIVSA-N 0 3 326.397 1.433 20 5 EDBDHN CCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000357290400 445529023 /nfs/dbraw/zinc/52/90/23/445529023.db2.gz NGDBFXZICCKAQM-CQSZACIVSA-N 0 3 348.403 1.832 20 5 EDBDHN CCc1ccc(C(=O)N2CC[C@H](N(C)CCO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356073075 445603155 /nfs/dbraw/zinc/60/31/55/445603155.db2.gz XBTZRJPZBBQBLI-WFASDCNBSA-N 0 3 335.404 1.684 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)n1 ZINC000360212317 445630851 /nfs/dbraw/zinc/63/08/51/445630851.db2.gz IYHOUUACXRAPRU-CYBMUJFWSA-N 0 3 349.366 1.983 20 5 EDBDHN CN(C)C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000360212376 445632215 /nfs/dbraw/zinc/63/22/15/445632215.db2.gz JFJKJEFTEVPOTA-CYBMUJFWSA-N 0 3 335.339 1.350 20 5 EDBDHN CN1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000363404658 445790885 /nfs/dbraw/zinc/79/08/85/445790885.db2.gz NTANOJSOSFFJFD-CHWSQXEVSA-N 0 3 339.417 1.842 20 5 EDBDHN CN(c1ncc([N+](=O)[O-])c(N)n1)C1CCN(c2ccncc2)CC1 ZINC000363465137 445814832 /nfs/dbraw/zinc/81/48/32/445814832.db2.gz JGOCWBIXOOKKCL-UHFFFAOYSA-N 0 3 329.364 1.467 20 5 EDBDHN Cc1ccnc(N2CCN(C3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000374256271 446359417 /nfs/dbraw/zinc/35/94/17/446359417.db2.gz NGAPTYDEVLYVBK-CQSZACIVSA-N 0 3 333.436 1.903 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000411253492 446446172 /nfs/dbraw/zinc/44/61/72/446446172.db2.gz LWZHPQHFYOYCGB-STQMWFEESA-N 0 3 348.403 1.749 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000370731536 446407246 /nfs/dbraw/zinc/40/72/46/446407246.db2.gz XTRBVYLXHLMJLI-QWRGUYRKSA-N 0 3 331.369 1.190 20 5 EDBDHN C[C@]1(F)CNCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420324747 446490767 /nfs/dbraw/zinc/49/07/67/446490767.db2.gz CKOFBNQYNHWRRV-HOCLYGCPSA-N 0 3 336.367 1.334 20 5 EDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CNCCC1(F)F ZINC000418744526 446665601 /nfs/dbraw/zinc/66/56/01/446665601.db2.gz FDDFDZOAQSFWEM-GFCCVEGCSA-N 0 3 328.319 1.733 20 5 EDBDHN CN(C[C@H]1CCCN1C)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420630151 446709982 /nfs/dbraw/zinc/70/99/82/446709982.db2.gz DKRWCXXPOGXNLR-MRXNPFEDSA-N 0 3 348.447 1.957 20 5 EDBDHN COC(=O)[C@@H]1CN(C)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411906947 446715141 /nfs/dbraw/zinc/71/51/41/446715141.db2.gz ORISGXVBWGOBSK-CYBMUJFWSA-N 0 3 337.376 1.010 20 5 EDBDHN C[C@H](CO)N1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000375481249 446833101 /nfs/dbraw/zinc/83/31/01/446833101.db2.gz FDFKOMMURZJQJI-CQSZACIVSA-N 0 3 335.404 1.443 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCCN([C@H](C)CO)CC1 ZINC000375500166 446852833 /nfs/dbraw/zinc/85/28/33/446852833.db2.gz WZVFDCTYPIYVIF-CQSZACIVSA-N 0 3 337.420 1.882 20 5 EDBDHN Cc1cc(OCC(=O)N2CCC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425064018 447010744 /nfs/dbraw/zinc/01/07/44/447010744.db2.gz HBBJEWJHVGYGRZ-XJKSGUPXSA-N 0 3 333.388 1.835 20 5 EDBDHN CON1CCC(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000421207736 447065534 /nfs/dbraw/zinc/06/55/34/447065534.db2.gz LHGPEIOFHGETTJ-OAHLLOKOSA-N 0 3 334.376 1.316 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H](c4nc[nH]n4)C3)n2)c1 ZINC000425528151 447213888 /nfs/dbraw/zinc/21/38/88/447213888.db2.gz CFZHIIFHSDRKRJ-NSHDSACASA-N 0 3 341.331 1.752 20 5 EDBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000425599915 447240682 /nfs/dbraw/zinc/24/06/82/447240682.db2.gz APFYOZABZPXUQF-CYBMUJFWSA-N 0 3 343.387 1.852 20 5 EDBDHN Cc1ccc(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000416569484 447651742 /nfs/dbraw/zinc/65/17/42/447651742.db2.gz YLGAPPVDDTZYPI-ZDUSSCGKSA-N 0 3 341.433 1.913 20 5 EDBDHN C[C@@H]1C[C@@H](O)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000452072855 447810537 /nfs/dbraw/zinc/81/05/37/447810537.db2.gz WFNKVVUEFJPANG-DGCLKSJQSA-N 0 3 335.360 1.596 20 5 EDBDHN COC(=O)N(C)CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496739147 447869886 /nfs/dbraw/zinc/86/98/86/447869886.db2.gz IQGAELLKBQDGGW-TVQRCGJNSA-N 0 3 328.296 1.773 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000569738347 447880032 /nfs/dbraw/zinc/88/00/32/447880032.db2.gz AZSLUEVLHWAREB-INIZCTEOSA-N 0 3 335.404 1.770 20 5 EDBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000553460921 447994695 /nfs/dbraw/zinc/99/46/95/447994695.db2.gz AYBSWFMKPKUHCM-LBPRGKRZSA-N 0 3 335.408 2.026 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000570223046 447967015 /nfs/dbraw/zinc/96/70/15/447967015.db2.gz LAHZTQCXFFPNIL-FZZIBODNSA-N 0 3 337.376 1.679 20 5 EDBDHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCC1 ZINC000525932208 448059594 /nfs/dbraw/zinc/05/95/94/448059594.db2.gz WJNJPZMUUNTSAM-JTQLQIEISA-N 0 3 338.339 1.273 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@H]2C2(O)CC2)c1 ZINC000571381319 448144432 /nfs/dbraw/zinc/14/44/32/448144432.db2.gz BHWUMNNEYYRCNF-ZBFHGGJFSA-N 0 3 336.388 1.714 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531821405 448153665 /nfs/dbraw/zinc/15/36/65/448153665.db2.gz KHUOTFVGOZEXPP-HZMBPMFUSA-N 0 3 347.371 1.579 20 5 EDBDHN Cc1c2ccccc2n(C)c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577484324 448308802 /nfs/dbraw/zinc/30/88/02/448308802.db2.gz ODEXMLWHBPLXEI-AWEZNQCLSA-N 0 3 343.387 1.742 20 5 EDBDHN CN1CCC(CNc2ccc([N+](=O)[O-])s2)(N2CCOCC2)CC1 ZINC000591186618 448282983 /nfs/dbraw/zinc/28/29/83/448282983.db2.gz LMPFXNYKNQVCFF-UHFFFAOYSA-N 0 3 340.449 1.865 20 5 EDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000566882516 448576976 /nfs/dbraw/zinc/57/69/76/448576976.db2.gz OSXNWITWLVVOPA-OUCADQQQSA-N 0 3 326.418 1.939 20 5 EDBDHN COC(=O)[C@H]1C[C@@H](O)CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000592002587 448619280 /nfs/dbraw/zinc/61/92/80/448619280.db2.gz NZWKYCHHKXKMSK-WCQYABFASA-N 0 3 345.355 1.812 20 5 EDBDHN CN1CCN(CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000517561181 448592545 /nfs/dbraw/zinc/59/25/45/448592545.db2.gz DZYUGCFTULSPNY-UHFFFAOYSA-N 0 3 338.383 1.491 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3cccc(F)c3)CCC2)c1 ZINC000592145614 448706088 /nfs/dbraw/zinc/70/60/88/448706088.db2.gz UJSIALLBUAAJNO-OAHLLOKOSA-N 0 3 334.351 1.960 20 5 EDBDHN O=C(N[C@H](CO)CN1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000588869342 448943631 /nfs/dbraw/zinc/94/36/31/448943631.db2.gz MUIYCCVBGNFVKM-LBPRGKRZSA-N 0 3 332.360 1.263 20 5 EDBDHN Cc1cc(C(=O)N2CCOC3(CCN(C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000592898578 449042895 /nfs/dbraw/zinc/04/28/95/449042895.db2.gz IEFUKAUDUJYKKG-UHFFFAOYSA-N 0 3 333.388 1.840 20 5 EDBDHN CN1C[C@@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000590046458 449101178 /nfs/dbraw/zinc/10/11/78/449101178.db2.gz DEQDRDBXFKSNLL-MEDUHNTESA-N 0 3 328.372 1.781 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000590443629 449165479 /nfs/dbraw/zinc/16/54/79/449165479.db2.gz LFJNVTODRMRVBN-LRDDRELGSA-N 0 3 330.388 1.945 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](c3ccccc3)[C@H](CO)C2)n1 ZINC000595747199 449145154 /nfs/dbraw/zinc/14/51/54/449145154.db2.gz HWHXYSVUUGGVHE-JKSUJKDBSA-N 0 3 330.388 1.889 20 5 EDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000590399614 449148031 /nfs/dbraw/zinc/14/80/31/449148031.db2.gz KYLYWUNCRZSOAO-LSDHHAIUSA-N 0 3 337.351 1.669 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@](O)(C3CC3)C2)c1 ZINC000595753289 449148110 /nfs/dbraw/zinc/14/81/10/449148110.db2.gz YLHHTXRUQFPNPL-DOTOQJQBSA-N 0 3 336.388 1.571 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000590561731 449191336 /nfs/dbraw/zinc/19/13/36/449191336.db2.gz FVFPAMVYPAUXLJ-GJZGRUSLSA-N 0 3 334.376 1.233 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909208 449247603 /nfs/dbraw/zinc/24/76/03/449247603.db2.gz KPVHPVMFMBILIV-CALCHBBNSA-N 0 3 333.388 1.649 20 5 EDBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598194782 449290298 /nfs/dbraw/zinc/29/02/98/449290298.db2.gz IHKGZAWCVGUSTQ-CQSZACIVSA-N 0 3 343.387 1.707 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000602071717 449321709 /nfs/dbraw/zinc/32/17/09/449321709.db2.gz FAUVZKVWEQRVDI-HIFRSBDPSA-N 0 3 335.360 1.083 20 5 EDBDHN CCN1CCN(CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000596075158 449351349 /nfs/dbraw/zinc/35/13/49/449351349.db2.gz ZYKMVTVCEIFGHM-UHFFFAOYSA-N 0 3 346.391 1.293 20 5 EDBDHN O=C([C@H]1CN2CCC[C@@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602131857 449369769 /nfs/dbraw/zinc/36/97/69/449369769.db2.gz DKWGIDMIMLXKAH-IAGOWNOFSA-N 0 3 345.399 1.949 20 5 EDBDHN CN1CCC(N2CC[C@H](Nc3c(Cl)cncc3[N+](=O)[O-])C2)CC1 ZINC000596124352 449375162 /nfs/dbraw/zinc/37/51/62/449375162.db2.gz WCUHCDITXLLHOV-NSHDSACASA-N 0 3 339.827 1.646 20 5 EDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594228821 449400763 /nfs/dbraw/zinc/40/07/63/449400763.db2.gz FPVNFBNMRQVLFL-KGLIPLIRSA-N 0 3 336.396 1.107 20 5 EDBDHN O=c1[n-]ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000596144845 449384778 /nfs/dbraw/zinc/38/47/78/449384778.db2.gz KEUZTKLXNXUUGL-UHFFFAOYSA-N 0 3 336.392 1.777 20 5 EDBDHN CN(C)[C@]1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000611706872 449389563 /nfs/dbraw/zinc/38/95/63/449389563.db2.gz HMWHECOJPMAKCX-HNNXBMFYSA-N 0 3 333.417 2.387 20 5 EDBDHN CC[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598536246 449452038 /nfs/dbraw/zinc/45/20/38/449452038.db2.gz PTUPTMSIIRUYBV-WCQYABFASA-N 0 3 344.375 1.388 20 5 EDBDHN COCCN1CCC(Nc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598588434 449477986 /nfs/dbraw/zinc/47/79/86/449477986.db2.gz LWONGVBHGAAFJQ-UHFFFAOYSA-N 0 3 338.364 1.299 20 5 EDBDHN COC(=O)CCNC(=O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599079860 449721021 /nfs/dbraw/zinc/72/10/21/449721021.db2.gz FLGVWKBVRGIGNV-CYBMUJFWSA-N 0 3 335.360 1.241 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[NH2+]C12CCC2 ZINC000599108392 449741196 /nfs/dbraw/zinc/74/11/96/449741196.db2.gz RJNJYDKORURJQH-GFCCVEGCSA-N 0 3 325.390 1.466 20 5 EDBDHN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)CCCN1CCCC1 ZINC000601302383 449811695 /nfs/dbraw/zinc/81/16/95/449811695.db2.gz LLBSCECJADNGOT-UHFFFAOYSA-N 0 3 341.433 1.842 20 5 EDBDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602778146 449801683 /nfs/dbraw/zinc/80/16/83/449801683.db2.gz BYHDIKSALBMBAK-ZIAGYGMSSA-N 0 3 338.408 1.352 20 5 EDBDHN COCc1n[nH]c(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000595065267 449853581 /nfs/dbraw/zinc/85/35/81/449853581.db2.gz BZGOVOBJZOGEJA-WDEREUQCSA-N 0 3 335.368 1.329 20 5 EDBDHN CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000602872279 449880569 /nfs/dbraw/zinc/88/05/69/449880569.db2.gz BQEUEJJHVPCBNX-OAHLLOKOSA-N 0 3 334.420 1.856 20 5 EDBDHN CCN1[C@H](C)CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000602875136 449882692 /nfs/dbraw/zinc/88/26/92/449882692.db2.gz WHEDGQVUPDKWBJ-OKILXGFUSA-N 0 3 346.431 1.898 20 5 EDBDHN Cc1cc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])s1 ZINC000601339203 449848854 /nfs/dbraw/zinc/84/88/54/449848854.db2.gz ABKRCAOBCHUBAY-JTQLQIEISA-N 0 3 333.435 1.585 20 5 EDBDHN Cc1nn(CCC(=O)Nc2cnn(CCN(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000608839539 449944845 /nfs/dbraw/zinc/94/48/45/449944845.db2.gz DNVISKSLFOYORP-UHFFFAOYSA-N 0 3 349.395 1.195 20 5 EDBDHN Cn1c(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)ccc1[N+](=O)[O-] ZINC000595257003 449979936 /nfs/dbraw/zinc/97/99/36/449979936.db2.gz GLJRYAKVIZUBBH-AWEZNQCLSA-N 0 3 330.344 1.847 20 5 EDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595569062 450239498 /nfs/dbraw/zinc/23/94/98/450239498.db2.gz ZQFKWCYFWKTKNB-CYBMUJFWSA-N 0 3 338.412 1.211 20 5 EDBDHN O=C(CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NC1CCCC1 ZINC000618571665 450248906 /nfs/dbraw/zinc/24/89/06/450248906.db2.gz HDICOXOFKKMHLI-ZIAGYGMSSA-N 0 3 335.408 1.923 20 5 EDBDHN COc1cc(C(=O)Nc2cnn(CCN(C)C)c2)cc([N+](=O)[O-])c1C ZINC000616292946 450381871 /nfs/dbraw/zinc/38/18/71/450381871.db2.gz ADQHZFZVERNHTF-UHFFFAOYSA-N 0 3 347.375 1.922 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178199615 529148036 /nfs/dbraw/zinc/14/80/36/529148036.db2.gz IJJJJPUECUCUOR-CYBMUJFWSA-N 0 3 349.435 1.180 20 5 EDBDHN C/C(=C\C(=O)NCC1(O)CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752496822 579860467 /nfs/dbraw/zinc/86/04/67/579860467.db2.gz XDKILWDHDDKTDC-ACCUITESSA-N 0 3 333.388 1.571 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCOCC3(CCOCC3)C2)cc1 ZINC000784593662 580624672 /nfs/dbraw/zinc/62/46/72/580624672.db2.gz JKZSBINBVRGSRL-MRXNPFEDSA-N 0 3 336.388 1.757 20 5 EDBDHN CC(COC(=O)CN1c2ccccc2OC(F)(F)C1=O)[N+](=O)[O-] ZINC000797281069 580972031 /nfs/dbraw/zinc/97/20/31/580972031.db2.gz PNUWFQOAIDOKET-MRVPVSSYSA-N 0 3 330.243 1.213 20 5 EDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCNCCC12CCC2 ZINC000891537976 591112041 /nfs/dbraw/zinc/11/20/41/591112041.db2.gz POUQNQUUERCOSX-UHFFFAOYSA-N 0 3 348.403 1.901 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(NC[C@H]2CCN2C2CCOCC2)cc1F ZINC000896525925 591494281 /nfs/dbraw/zinc/49/42/81/591494281.db2.gz RDVZMGMEZAODIR-CYBMUJFWSA-N 0 3 339.367 1.891 20 5 EDBDHN CCO[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)CN(C)C ZINC000902972681 592095783 /nfs/dbraw/zinc/09/57/83/592095783.db2.gz YDIKHMRJBNIKCS-LLVKDONJSA-N 0 3 328.344 1.822 20 5 EDBDHN CN(C)CC1(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CCC1 ZINC000905078594 592388606 /nfs/dbraw/zinc/38/86/06/592388606.db2.gz AGFHMKBTLCOTSW-UHFFFAOYSA-N 0 3 349.387 1.970 20 5 EDBDHN C[C@@H]1C[C@]2(CC[C@@H](CNC[C@@H](O)c3cccc([N+](=O)[O-])c3)O2)CO1 ZINC000905484163 592539362 /nfs/dbraw/zinc/53/93/62/592539362.db2.gz GYTMGPNFIKPSAX-VJUNAUMWSA-N 0 3 336.388 1.944 20 5 EDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CN(C)CCN(C)C1 ZINC000906387579 592815313 /nfs/dbraw/zinc/81/53/13/592815313.db2.gz AFCXXOMLGDKCNO-UHFFFAOYSA-N 0 3 348.447 1.825 20 5 EDBDHN CC(COC(=O)CCCCN1C(=O)c2ccccc2C1=O)[N+](=O)[O-] ZINC000813104101 593517693 /nfs/dbraw/zinc/51/76/93/593517693.db2.gz JXJVAMMLHSOBNO-NSHDSACASA-N 0 3 334.328 1.661 20 5 EDBDHN CCOc1ccccc1[C@@H](CC(=O)OCC(C)[N+](=O)[O-])NC(C)=O ZINC000813103955 593517737 /nfs/dbraw/zinc/51/77/37/593517737.db2.gz VFDNYWWTWPEUKL-SMDDNHRTSA-N 0 3 338.360 1.861 20 5 EDBDHN CC(=O)N[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(F)cc1F ZINC000813109188 593518221 /nfs/dbraw/zinc/51/82/21/593518221.db2.gz PCTVBBAAFDOSRK-SDBXPKJASA-N 0 3 330.287 1.741 20 5 EDBDHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(C)[N+](=O)[O-] ZINC000813109228 593518280 /nfs/dbraw/zinc/51/82/80/593518280.db2.gz HESFUQHRUXKLBT-MEBBXXQBSA-N 0 3 333.344 1.424 20 5 EDBDHN CN1CCC(ONC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000816533852 593530424 /nfs/dbraw/zinc/53/04/24/593530424.db2.gz LXKFGVBQFVOFQB-UHFFFAOYSA-N 0 3 337.332 1.122 20 5 EDBDHN C[C@@H]1CC[C@H](O)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000817288001 593589377 /nfs/dbraw/zinc/58/93/77/593589377.db2.gz GKXWBCXFDPKCKK-PWSUYJOCSA-N 0 3 325.340 1.908 20 5 EDBDHN C[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601225 593643929 /nfs/dbraw/zinc/64/39/29/593643929.db2.gz QKJJJKDURYSMPW-WBIUFABUSA-N 0 3 336.392 1.463 20 5 EDBDHN CO[C@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000819070179 593737358 /nfs/dbraw/zinc/73/73/58/593737358.db2.gz TWPLISWEZIDMPD-ZYHUDNBSSA-N 0 3 338.282 1.501 20 5 EDBDHN CN(C)CCOc1ccc(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000819453612 593755367 /nfs/dbraw/zinc/75/53/67/593755367.db2.gz YOQOZEPIEPWBDV-HNNXBMFYSA-N 0 3 349.391 1.205 20 5 EDBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000820732265 593874574 /nfs/dbraw/zinc/87/45/74/593874574.db2.gz ZMFSSAODJLEADD-KOLCDFICSA-N 0 3 347.824 1.961 20 5 EDBDHN Nc1ccc(NC(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000823933302 593889954 /nfs/dbraw/zinc/88/99/54/593889954.db2.gz OJUAWXCLRYHGRI-LBPRGKRZSA-N 0 3 337.380 1.145 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000822438129 594049120 /nfs/dbraw/zinc/04/91/20/594049120.db2.gz FCZREAMCRBRWDD-XHDPSFHLSA-N 0 3 348.359 1.978 20 5 EDBDHN CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1C ZINC000825451245 594187185 /nfs/dbraw/zinc/18/71/85/594187185.db2.gz HMXUAPIPOROPMD-QWRGUYRKSA-N 0 3 331.380 1.694 20 5 EDBDHN CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1C ZINC000825451245 594187187 /nfs/dbraw/zinc/18/71/87/594187187.db2.gz HMXUAPIPOROPMD-QWRGUYRKSA-N 0 3 331.380 1.694 20 5 EDBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000829562027 594640863 /nfs/dbraw/zinc/64/08/63/594640863.db2.gz YBTQPNYHRMTEFY-SSDOTTSWSA-N 0 3 333.753 1.156 20 5 EDBDHN CCO[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])CN(C)C ZINC000831693572 594693240 /nfs/dbraw/zinc/69/32/40/594693240.db2.gz ALRMEXIMVRSHHG-CQSZACIVSA-N 0 3 341.383 1.749 20 5 EDBDHN CCO[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)CN(C)C ZINC000831775965 594702071 /nfs/dbraw/zinc/70/20/71/594702071.db2.gz BZJXCVAEIVIPLJ-BZUAXINKSA-N 0 3 335.404 1.781 20 5 EDBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCNCC1 ZINC000841149604 594858878 /nfs/dbraw/zinc/85/88/78/594858878.db2.gz HNMOULRLNKIXBR-UHFFFAOYSA-N 0 3 326.740 1.009 20 5 EDBDHN CCON(C)C(=O)CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000846065793 595134657 /nfs/dbraw/zinc/13/46/57/595134657.db2.gz UEMMBGHTUAQIGS-LLVKDONJSA-N 0 3 338.364 1.311 20 5 EDBDHN CC(C)N1CCCC[C@H]1COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000837591500 595147291 /nfs/dbraw/zinc/14/72/91/595147291.db2.gz MOOIRVLFTDCLIN-ZDUSSCGKSA-N 0 3 337.376 1.563 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000843096786 595286814 /nfs/dbraw/zinc/28/68/14/595286814.db2.gz UZFSDSAOMWDNIP-WBVHZDCISA-N 0 3 334.347 1.961 20 5 EDBDHN NC[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000848598094 595414439 /nfs/dbraw/zinc/41/44/39/595414439.db2.gz WALYBYFFVZEHGS-NSHDSACASA-N 0 3 332.282 1.552 20 5 EDBDHN Cc1noc([C@@H]2OCC[C@@H]2NC[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000860152950 595595981 /nfs/dbraw/zinc/59/59/81/595595981.db2.gz PILBJSUNHASXSJ-MELADBBJSA-N 0 3 334.332 1.439 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000858632645 595851254 /nfs/dbraw/zinc/85/12/54/595851254.db2.gz PMONBSUXFMEPJU-VHSXEESVSA-N 0 3 347.824 1.975 20 5 EDBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000861342524 595949334 /nfs/dbraw/zinc/94/93/34/595949334.db2.gz CVOBFDVMBJZXRQ-WFASDCNBSA-N 0 3 340.380 1.179 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000852010283 596007284 /nfs/dbraw/zinc/00/72/84/596007284.db2.gz VUPCBAVZDLGAKW-WMZOPIPTSA-N 0 3 349.431 1.815 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000852010280 596007327 /nfs/dbraw/zinc/00/73/27/596007327.db2.gz VUPCBAVZDLGAKW-AEFFLSMTSA-N 0 3 349.431 1.815 20 5 EDBDHN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861712804 596077360 /nfs/dbraw/zinc/07/73/60/596077360.db2.gz UMIWDJOAXKFTRT-RYUDHWBXSA-N 0 3 339.779 1.529 20 5 EDBDHN O=C1CCCN1C[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852680724 596226581 /nfs/dbraw/zinc/22/65/81/596226581.db2.gz YFPZAVURCHCFPU-XJKSGUPXSA-N 0 3 333.388 1.573 20 5 EDBDHN CC(C)NC(=O)[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852698983 596229002 /nfs/dbraw/zinc/22/90/02/596229002.db2.gz VSNBJQBZMHWBCE-GDBMZVCRSA-N 0 3 335.404 1.865 20 5 EDBDHN CC(C)NC(=O)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852697748 596229008 /nfs/dbraw/zinc/22/90/08/596229008.db2.gz CJFPIVVVEPNIJE-ZBFHGGJFSA-N 0 3 335.404 1.865 20 5 EDBDHN CC[C@H](NC(C)=O)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870454150 596249247 /nfs/dbraw/zinc/24/92/47/596249247.db2.gz HXRRTEUEUPQWRB-QCZZGDTMSA-N 0 3 326.324 1.990 20 5 EDBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCC1(C)C ZINC000871153083 596480273 /nfs/dbraw/zinc/48/02/73/596480273.db2.gz FLCNBZDLNDRNJB-UHFFFAOYSA-N 0 3 349.387 1.922 20 5 EDBDHN O=C(NC[C@@H]1CCN1C1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863031526 596491056 /nfs/dbraw/zinc/49/10/56/596491056.db2.gz HRHMMQDSEOKBRW-JKSUJKDBSA-N 0 3 333.388 1.761 20 5 EDBDHN CN(C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000867960647 596636502 /nfs/dbraw/zinc/63/65/02/596636502.db2.gz ODLITUAODQBOOJ-DOTOQJQBSA-N 0 3 332.404 1.464 20 5 EDBDHN Cc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000868217887 596729680 /nfs/dbraw/zinc/72/96/80/596729680.db2.gz VULXMXLHYQYQOY-HUUCEWRRSA-N 0 3 348.403 1.566 20 5 EDBDHN CN1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000866213651 596830114 /nfs/dbraw/zinc/83/01/14/596830114.db2.gz ZHMQFWDAFUMGIX-UHFFFAOYSA-N 0 3 339.827 1.859 20 5 EDBDHN CC1(C)CCNCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000872294418 596871333 /nfs/dbraw/zinc/87/13/33/596871333.db2.gz ZHAQCEAGLLOYFN-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000874468198 597093972 /nfs/dbraw/zinc/09/39/72/597093972.db2.gz FTZHMWFINCXTQC-ZDUSSCGKSA-N 0 3 348.447 1.825 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000873100980 597194969 /nfs/dbraw/zinc/19/49/69/597194969.db2.gz KVZUVXGYGQARBX-BBRMVZONSA-N 0 3 335.404 1.937 20 5 EDBDHN CC(C)(O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000879627597 597665073 /nfs/dbraw/zinc/66/50/73/597665073.db2.gz LUOIVMGMQMWADM-AWEZNQCLSA-N 0 3 338.404 1.817 20 5 EDBDHN CN(C(=O)CN1CC[C@@H]2[C@H]1CCCN2C)c1ccc([N+](=O)[O-])cc1 ZINC000880132779 597850727 /nfs/dbraw/zinc/85/07/27/597850727.db2.gz FXMQVFNHBYRGJK-HZPDHXFCSA-N 0 3 332.404 1.726 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC000996707492 703003386 /nfs/dbraw/zinc/00/33/86/703003386.db2.gz SGWUFUUILKYVHL-UHFFFAOYSA-N 0 3 347.419 1.599 20 5 EDBDHN O=C(c1ncccn1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000997107779 703354010 /nfs/dbraw/zinc/35/40/10/703354010.db2.gz SCCVGIWOXFPGRU-UHFFFAOYSA-N 0 3 347.400 1.841 20 5 EDBDHN COc1cc(OCC(=O)N(C)CCN2CCCC2)ccc1[N+](=O)[O-] ZINC000103116866 219257714 /nfs/dbraw/zinc/25/77/14/219257714.db2.gz RABHTMOAYSKOFA-UHFFFAOYSA-N 0 3 337.376 1.536 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000068131872 215281003 /nfs/dbraw/zinc/28/10/03/215281003.db2.gz PVDYTHAGFITUEM-HNNXBMFYSA-N 0 3 349.435 1.967 20 5 EDBDHN Cc1ccc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000563000518 306315379 /nfs/dbraw/zinc/31/53/79/306315379.db2.gz DMEUCCAACQOEJW-UHFFFAOYSA-N 0 3 349.412 1.904 20 5 EDBDHN CCCN(CCN(C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000344866031 283231161 /nfs/dbraw/zinc/23/11/61/283231161.db2.gz NKZHHEFCLKCADY-UHFFFAOYSA-N 0 3 337.376 1.780 20 5 EDBDHN O=C1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCCN12 ZINC000563708956 306345692 /nfs/dbraw/zinc/34/56/92/306345692.db2.gz YUMFLDFDQCAIOA-KBMXLJTQSA-N 0 3 349.387 1.078 20 5 EDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000367325325 283320651 /nfs/dbraw/zinc/32/06/51/283320651.db2.gz CFWFZGANEQZBDJ-AWEZNQCLSA-N 0 3 333.392 1.096 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@H]2CN)n1 ZINC000564729210 306364159 /nfs/dbraw/zinc/36/41/59/306364159.db2.gz HGCPJDAGDNKYQC-CYBMUJFWSA-N 0 3 329.360 1.510 20 5 EDBDHN CC1(C)C[C@@H](NC[C@H](O)Cn2ccnn2)c2cc([N+](=O)[O-])ccc21 ZINC000414196064 304105228 /nfs/dbraw/zinc/10/52/28/304105228.db2.gz UZNBZDCGFCIQJL-SWLSCSKDSA-N 0 3 331.376 1.559 20 5 EDBDHN COc1ccc(CNCCC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414514344 304121233 /nfs/dbraw/zinc/12/12/33/304121233.db2.gz IJSWSYUIHQPNNS-UHFFFAOYSA-N 0 3 330.406 1.906 20 5 EDBDHN NCc1cn([C@@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000415103284 304160190 /nfs/dbraw/zinc/16/01/90/304160190.db2.gz DASXZVMCHCODDJ-WUTVXBCWSA-N 0 3 342.403 1.995 20 5 EDBDHN CC(C)Oc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000567261750 306444663 /nfs/dbraw/zinc/44/46/63/306444663.db2.gz JYUOMMDVZMIMRU-AWEZNQCLSA-N 0 3 335.364 1.124 20 5 EDBDHN CCC(CC)(CN)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000236786313 139031260 /nfs/dbraw/zinc/03/12/60/139031260.db2.gz KTNPPEIIHQZLQX-UHFFFAOYSA-N 0 3 343.405 1.246 20 5 EDBDHN Cn1cc(C(=O)NC[C@H]2CCN(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110653325 220052078 /nfs/dbraw/zinc/05/20/78/220052078.db2.gz RFKNCHVOWLLITE-GFCCVEGCSA-N 0 3 343.387 1.677 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237325391 139047958 /nfs/dbraw/zinc/04/79/58/139047958.db2.gz BKHWRXZAUZCEHU-CMPLNLGQSA-N 0 3 343.405 1.399 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]C[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261975167 139241069 /nfs/dbraw/zinc/24/10/69/139241069.db2.gz ZNNSDIQHLUEOOL-CQSZACIVSA-N 0 3 343.405 1.271 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000262039570 139245876 /nfs/dbraw/zinc/24/58/76/139245876.db2.gz HNEGCAPLFWCVDO-ABAIWWIYSA-N 0 3 336.392 1.180 20 5 EDBDHN CC(C)N(C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118122850 221124664 /nfs/dbraw/zinc/12/46/64/221124664.db2.gz JYTJJUOJBJKOTF-UHFFFAOYSA-N 0 3 342.783 1.643 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000118130620 221126296 /nfs/dbraw/zinc/12/62/96/221126296.db2.gz RRTDQTBBGUFVJG-LLVKDONJSA-N 0 3 334.376 1.441 20 5 EDBDHN COc1ccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000266747148 139556203 /nfs/dbraw/zinc/55/62/03/139556203.db2.gz NKESNXKIVYJZPB-CQSZACIVSA-N 0 3 346.387 1.759 20 5 EDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC=CC2)C1 ZINC000270527489 140117362 /nfs/dbraw/zinc/11/73/62/140117362.db2.gz NTUOUZLCEWSKQK-MRXNPFEDSA-N 0 3 330.388 1.793 20 5 EDBDHN C[C@@H](NC[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000271684720 140333459 /nfs/dbraw/zinc/33/34/59/140333459.db2.gz DGAAFTQOLWOVSG-OLZOCXBDSA-N 0 3 341.433 1.917 20 5 EDBDHN COc1cccc(C2(NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000271746072 140343632 /nfs/dbraw/zinc/34/36/32/140343632.db2.gz XNUKITIUBIZNDP-CQSZACIVSA-N 0 3 332.360 1.440 20 5 EDBDHN CS[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000272011149 140386928 /nfs/dbraw/zinc/38/69/28/140386928.db2.gz JVSPNNWGECDBHR-RRFJBIMHSA-N 0 3 325.434 1.606 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000272451650 140459920 /nfs/dbraw/zinc/45/99/20/140459920.db2.gz JVIZHUDNFWYQQE-SWLSCSKDSA-N 0 3 341.433 1.349 20 5 EDBDHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000331193073 140994086 /nfs/dbraw/zinc/99/40/86/140994086.db2.gz QPWPVXABMZTPDJ-KBPBESRZSA-N 0 3 327.406 1.545 20 5 EDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1N1CCCC1 ZINC000331559424 141048146 /nfs/dbraw/zinc/04/81/46/141048146.db2.gz KECAJPMHUVIKLL-STQMWFEESA-N 0 3 338.433 1.585 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1N1CCCC1 ZINC000331559422 141048151 /nfs/dbraw/zinc/04/81/51/141048151.db2.gz KECAJPMHUVIKLL-QWHCGFSZSA-N 0 3 338.433 1.585 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCN1C ZINC000332657497 141224184 /nfs/dbraw/zinc/22/41/84/141224184.db2.gz JRZLOLFEPMEVRU-VXGBXAGGSA-N 0 3 344.375 1.388 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](O)CC1 ZINC000339778704 142153229 /nfs/dbraw/zinc/15/32/29/142153229.db2.gz DWISSCPYALQDPA-CYBMUJFWSA-N 0 3 335.360 1.740 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346233117 143181697 /nfs/dbraw/zinc/18/16/97/143181697.db2.gz GVDJXFWKVUPRFQ-UHFFFAOYSA-N 0 3 325.340 1.311 20 5 EDBDHN O=C([C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)N1CCNCC1 ZINC000347022967 143272769 /nfs/dbraw/zinc/27/27/69/143272769.db2.gz OTIYOVOUZYRHDA-OAHLLOKOSA-N 0 3 332.404 1.239 20 5 EDBDHN Cc1cc(S(=O)(=O)NC[C@H]2CCN(C)C2)c(C)cc1[N+](=O)[O-] ZINC000416495562 304324864 /nfs/dbraw/zinc/32/48/64/304324864.db2.gz MFFOKFSZHYDEPK-GFCCVEGCSA-N 0 3 327.406 1.442 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCCCN1S(C)(=O)=O ZINC000353101698 149287396 /nfs/dbraw/zinc/28/73/96/149287396.db2.gz YFFDAVPZUQJIKP-HNNXBMFYSA-N 0 3 341.433 1.807 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000356157346 150535514 /nfs/dbraw/zinc/53/55/14/150535514.db2.gz UGUWHNZJPJOGTH-UHFFFAOYSA-N 0 3 343.387 1.723 20 5 EDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358061742 151252491 /nfs/dbraw/zinc/25/24/91/151252491.db2.gz HCQYRFXRGCARDX-IAQYHMDHSA-N 0 3 339.417 1.258 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000370082657 155315817 /nfs/dbraw/zinc/31/58/17/155315817.db2.gz OLYBZEXIWGZECQ-SWLSCSKDSA-N 0 3 348.403 1.568 20 5 EDBDHN O=C(CCN1CCC(F)(F)[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000361403722 152384122 /nfs/dbraw/zinc/38/41/22/152384122.db2.gz PEXXUJCAWRFHRH-NSHDSACASA-N 0 3 343.330 1.873 20 5 EDBDHN Nc1ccc(C(=O)N2C[C@H](N)[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000364183540 153166237 /nfs/dbraw/zinc/16/62/37/153166237.db2.gz PBPAGYDMDONQES-ZFWWWQNUSA-N 0 3 344.346 1.883 20 5 EDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)Cn1ccnn1)CCCC2 ZINC000417360834 304394761 /nfs/dbraw/zinc/39/47/61/304394761.db2.gz KHFTVZQCIGAZGA-GDBMZVCRSA-N 0 3 331.376 1.605 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2c[nH]cn2)CC1 ZINC000371696011 156065890 /nfs/dbraw/zinc/06/58/90/156065890.db2.gz ZTQOWLCJAFRSPA-CQSZACIVSA-N 0 3 346.387 1.937 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000373778303 157000312 /nfs/dbraw/zinc/00/03/12/157000312.db2.gz SSKZZSJIIZDBNW-HZPDHXFCSA-N 0 3 335.404 1.634 20 5 EDBDHN Cc1sc(C(=O)NCCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000063739487 287238958 /nfs/dbraw/zinc/23/89/58/287238958.db2.gz CHOACLILWHSDEH-UHFFFAOYSA-N 0 3 340.449 1.722 20 5 EDBDHN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000160367757 225397128 /nfs/dbraw/zinc/39/71/28/225397128.db2.gz APEUSHGXYGUJJK-YPMHNXCESA-N 0 3 344.375 1.353 20 5 EDBDHN O=C(CNC[C@H]1CCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000165537578 226129080 /nfs/dbraw/zinc/12/90/80/226129080.db2.gz GTNIIDYIIXAAIY-MRXNPFEDSA-N 0 3 348.403 1.012 20 5 EDBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000170841778 226760307 /nfs/dbraw/zinc/76/03/07/226760307.db2.gz VBNMXXLPIMMOOR-UHFFFAOYSA-N 0 3 340.811 1.568 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C[NH3+])CC(C)C)c1C ZINC000124234746 222396140 /nfs/dbraw/zinc/39/61/40/222396140.db2.gz ROGCEDXEKMDWSQ-GFCCVEGCSA-N 0 3 329.422 1.863 20 5 EDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000275780170 273128464 /nfs/dbraw/zinc/12/84/64/273128464.db2.gz FNDGXXFSYQJPRJ-GFCCVEGCSA-N 0 3 348.403 1.722 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C[C@@H]1CCSC1 ZINC000278344280 273260173 /nfs/dbraw/zinc/26/01/73/273260173.db2.gz HFRDVWVSYNFSSG-NSHDSACASA-N 0 3 345.446 1.216 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C[C@H]1CCSC1 ZINC000278344277 273260212 /nfs/dbraw/zinc/26/02/12/273260212.db2.gz HFRDVWVSYNFSSG-LLVKDONJSA-N 0 3 345.446 1.216 20 5 EDBDHN Cc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000371348988 274709748 /nfs/dbraw/zinc/70/97/48/274709748.db2.gz DWKCJPBHRHKNDM-LSDHHAIUSA-N 0 3 333.436 1.760 20 5 EDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000264159053 280101263 /nfs/dbraw/zinc/10/12/63/280101263.db2.gz RWXXKYPXDWYFNO-GFCCVEGCSA-N 0 3 329.422 1.912 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000371350666 281013006 /nfs/dbraw/zinc/01/30/06/281013006.db2.gz SFSWCHMEDGCAKD-DZGCQCFKSA-N 0 3 333.436 1.760 20 5 EDBDHN CCn1cc([C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000295916793 303283188 /nfs/dbraw/zinc/28/31/88/303283188.db2.gz FCUAONLOQKJCDD-WFASDCNBSA-N 0 3 334.376 1.902 20 5 EDBDHN CC1(C)C[C@H](O)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295964296 303286806 /nfs/dbraw/zinc/28/68/06/303286806.db2.gz HYNGFTSQEOQEMJ-ZIAGYGMSSA-N 0 3 338.404 1.817 20 5 EDBDHN CN(C)[C@H]1CC[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301915732 303702940 /nfs/dbraw/zinc/70/29/40/303702940.db2.gz GPUDPEVHOCMQAY-QWRGUYRKSA-N 0 3 327.406 1.893 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421768459 304812308 /nfs/dbraw/zinc/81/23/08/304812308.db2.gz OEULNISETYXBTO-OAHLLOKOSA-N 0 3 348.447 1.967 20 5 EDBDHN COc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377766650 447346025 /nfs/dbraw/zinc/34/60/25/447346025.db2.gz KZDUFLGYXKAWOM-PVUWLOKVSA-N 0 3 349.387 1.519 20 5 EDBDHN Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2N(C)C)ccc1[N+](=O)[O-] ZINC000429328241 305029101 /nfs/dbraw/zinc/02/91/01/305029101.db2.gz IHACQKORIBTVKB-JSGCOSHPSA-N 0 3 327.406 1.664 20 5 EDBDHN C[C@H]1NCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C ZINC000434710972 305129182 /nfs/dbraw/zinc/12/91/82/305129182.db2.gz ZWIYTUFFKVBINN-GHMZBOCLSA-N 0 3 335.360 1.117 20 5 EDBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]12 ZINC000449524855 305312808 /nfs/dbraw/zinc/31/28/08/305312808.db2.gz SMJBPPVFJRCBBK-BETUJISGSA-N 0 3 341.323 1.559 20 5 EDBDHN CC[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449782219 305318932 /nfs/dbraw/zinc/31/89/32/305318932.db2.gz YDVZXSAJSLSMTO-CQSZACIVSA-N 0 3 331.376 1.610 20 5 EDBDHN COC(=O)c1cnc(NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000450595680 305330286 /nfs/dbraw/zinc/33/02/86/305330286.db2.gz MIOMUDMPGGNYGK-GFCCVEGCSA-N 0 3 338.364 1.035 20 5 EDBDHN C[C@@H]1[C@@H](O)CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000451465723 305348083 /nfs/dbraw/zinc/34/80/83/305348083.db2.gz XLSMCXRTNAZVCQ-RISCZKNCSA-N 0 3 335.360 1.738 20 5 EDBDHN COC(=O)[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccccc1 ZINC000452007863 305377828 /nfs/dbraw/zinc/37/78/28/305377828.db2.gz RMXCIUKEVOKFEJ-CVEARBPZSA-N 0 3 344.371 1.680 20 5 EDBDHN Cc1nccnc1CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000519143025 305767275 /nfs/dbraw/zinc/76/72/75/305767275.db2.gz KGCGCVZIVJASBW-ZDUSSCGKSA-N 0 3 332.360 1.265 20 5 EDBDHN CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCC1 ZINC000547373023 306099358 /nfs/dbraw/zinc/09/93/58/306099358.db2.gz CAPJCEQJHYBXRV-UHFFFAOYSA-N 0 3 335.360 1.580 20 5 EDBDHN Cn1nccc1[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000378311107 447417192 /nfs/dbraw/zinc/41/71/92/447417192.db2.gz KKJIANZLNGRFGV-CYBMUJFWSA-N 0 3 331.376 1.370 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000070871477 441124453 /nfs/dbraw/zinc/12/44/53/441124453.db2.gz QPSKMSHPIIFWGM-CYBMUJFWSA-N 0 3 344.375 1.390 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000061159916 441266480 /nfs/dbraw/zinc/26/64/80/441266480.db2.gz IAWUKACGZKPNGE-OLZOCXBDSA-N 0 3 337.424 1.869 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000041443715 441655477 /nfs/dbraw/zinc/65/54/77/441655477.db2.gz BOVUXTCBSOUPKG-UHFFFAOYSA-N 0 3 349.435 1.394 20 5 EDBDHN Cc1ccnc(NCCCCN2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000115518187 441750327 /nfs/dbraw/zinc/75/03/27/441750327.db2.gz PPHIJTZXKNFIQO-UHFFFAOYSA-N 0 3 337.424 1.100 20 5 EDBDHN CN(C)CCN(Cc1ccccc1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068310787 441772510 /nfs/dbraw/zinc/77/25/10/441772510.db2.gz XPNKNVCCPBAYGB-UHFFFAOYSA-N 0 3 345.403 1.772 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2n[nH]cc2C1 ZINC000118853077 441907445 /nfs/dbraw/zinc/90/74/45/441907445.db2.gz OOYXDSLHLPUHHE-UHFFFAOYSA-N 0 3 345.359 1.713 20 5 EDBDHN CSCC[C@H](N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000161543553 442010807 /nfs/dbraw/zinc/01/08/07/442010807.db2.gz GIBSGOCXJBBXLR-LBPRGKRZSA-N 0 3 340.449 1.902 20 5 EDBDHN CCCN(CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000175362650 442049796 /nfs/dbraw/zinc/04/97/96/442049796.db2.gz OTZJQOWOTWZIOZ-UHFFFAOYSA-N 0 3 329.422 1.913 20 5 EDBDHN NC(=O)C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182021305 442728801 /nfs/dbraw/zinc/72/88/01/442728801.db2.gz UIYXLRVFIHHGEE-CQSZACIVSA-N 0 3 348.403 1.947 20 5 EDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)c1 ZINC000193960128 442819801 /nfs/dbraw/zinc/81/98/01/442819801.db2.gz CWHVRJPXNBQLNG-UHFFFAOYSA-N 0 3 339.417 1.748 20 5 EDBDHN Cc1nn(C)c(C(=O)NCc2cccc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000194098987 442844948 /nfs/dbraw/zinc/84/49/48/442844948.db2.gz QMUYLZAVANMCMM-UHFFFAOYSA-N 0 3 331.376 1.628 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC[NH+](CC3CC3)CC2)s1 ZINC000194405121 442891511 /nfs/dbraw/zinc/89/15/11/442891511.db2.gz CSQPLVLXCBNDNG-UHFFFAOYSA-N 0 3 345.446 1.809 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000268303708 442939382 /nfs/dbraw/zinc/93/93/82/442939382.db2.gz XPRMJJHYIYOYOX-GXSJLCMTSA-N 0 3 331.369 1.305 20 5 EDBDHN CN(C)C(=O)C1(NCCn2cc([N+](=O)[O-])ccc2=O)CCCCC1 ZINC000295188564 318636000 /nfs/dbraw/zinc/63/60/00/318636000.db2.gz SSHZQQQEAMUMSZ-UHFFFAOYSA-N 0 3 336.392 1.137 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000296330471 318686659 /nfs/dbraw/zinc/68/66/59/318686659.db2.gz QRFACZAQXLERID-HFBAOOFYSA-N 0 3 349.387 1.945 20 5 EDBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000190964885 443215358 /nfs/dbraw/zinc/21/53/58/443215358.db2.gz CSZDVTKHGQZVGI-AWEZNQCLSA-N 0 3 338.408 1.576 20 5 EDBDHN COc1ccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272447519 443320562 /nfs/dbraw/zinc/32/05/62/443320562.db2.gz MBWSUMJEPNDUCX-DZGCQCFKSA-N 0 3 348.403 1.839 20 5 EDBDHN COC(=O)C[C@@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000269640243 443375634 /nfs/dbraw/zinc/37/56/34/443375634.db2.gz JTAAQBBEPHFIBX-GXTWGEPZSA-N 0 3 338.360 1.362 20 5 EDBDHN COc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000272557257 443363071 /nfs/dbraw/zinc/36/30/71/443363071.db2.gz DONSDWAXUMJGGO-RISCZKNCSA-N 0 3 349.387 1.778 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCOCCO ZINC000282545258 443370009 /nfs/dbraw/zinc/37/00/09/443370009.db2.gz RGZAIHYGEKZBNU-UHFFFAOYSA-N 0 3 325.365 1.173 20 5 EDBDHN Cc1cccc([C@@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000273025042 443522423 /nfs/dbraw/zinc/52/24/23/443522423.db2.gz BCFWLCBLONEDOB-NVXWUHKLSA-N 0 3 330.388 1.950 20 5 EDBDHN CC(C)N1CC[C@@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457092262 320319354 /nfs/dbraw/zinc/31/93/54/320319354.db2.gz WVQKGUIADSEIAE-OAHLLOKOSA-N 0 3 348.403 1.266 20 5 EDBDHN COc1ccc(OCCN(CCOCCO)C(C)C)c([N+](=O)[O-])c1 ZINC000283813282 443728731 /nfs/dbraw/zinc/72/87/31/443728731.db2.gz XWSCCTXZENCWGU-UHFFFAOYSA-N 0 3 342.392 1.702 20 5 EDBDHN CN(C)C1(CN(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCC1 ZINC000527113974 320503539 /nfs/dbraw/zinc/50/35/39/320503539.db2.gz MFSSOJQDRDJJPA-UHFFFAOYSA-N 0 3 335.360 1.880 20 5 EDBDHN C[C@]1(C[C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O ZINC000289271802 444092555 /nfs/dbraw/zinc/09/25/55/444092555.db2.gz GJHUOFMMGWBYFA-XJKSGUPXSA-N 0 3 332.360 1.547 20 5 EDBDHN CCOc1cc(C)ccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568382295 321288876 /nfs/dbraw/zinc/28/88/76/321288876.db2.gz WVJBZAHQXWBMKI-OAHLLOKOSA-N 0 3 334.376 1.649 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000289812196 444206614 /nfs/dbraw/zinc/20/66/14/444206614.db2.gz NYXRZRKLVKAXQS-CYBMUJFWSA-N 0 3 336.392 1.999 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000321945247 444338118 /nfs/dbraw/zinc/33/81/18/444338118.db2.gz LCMZQOVGJGTTTH-VXGBXAGGSA-N 0 3 339.779 1.841 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](O)[C@@H]1C ZINC000298054903 444399685 /nfs/dbraw/zinc/39/96/85/444399685.db2.gz FRBHUHJBYPUNAK-FZMZJTMJSA-N 0 3 337.376 1.777 20 5 EDBDHN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580436849 322051111 /nfs/dbraw/zinc/05/11/11/322051111.db2.gz XDRIHNAKOZJXJA-ONENECBXSA-N 0 3 336.323 1.403 20 5 EDBDHN C[C@H](NC[C@@H]1CCCN1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000338119715 444524388 /nfs/dbraw/zinc/52/43/88/444524388.db2.gz LMVDFNYANJZHOR-FZMZJTMJSA-N 0 3 327.406 1.669 20 5 EDBDHN CC1(C)NC(=O)CC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000338600316 444768813 /nfs/dbraw/zinc/76/88/13/444768813.db2.gz USLGDJHOQJZCRI-AWEZNQCLSA-N 0 3 346.387 1.131 20 5 EDBDHN C[C@@H](NC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000341584230 444908126 /nfs/dbraw/zinc/90/81/26/444908126.db2.gz INNRCUOYHXGULD-UMPJEAMMSA-N 0 3 337.420 1.716 20 5 EDBDHN CN(C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])nc2)c1 ZINC000344428239 444964358 /nfs/dbraw/zinc/96/43/58/444964358.db2.gz GHUCQZAXQXCFNG-UHFFFAOYSA-N 0 3 343.387 1.893 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000344496112 445011171 /nfs/dbraw/zinc/01/11/71/445011171.db2.gz LFGSIVICPTZFSD-DZGCQCFKSA-N 0 3 337.376 1.151 20 5 EDBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000330775542 445135691 /nfs/dbraw/zinc/13/56/91/445135691.db2.gz HOVDQFFXDAPQMP-LBPRGKRZSA-N 0 3 327.406 1.605 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000342008571 445120908 /nfs/dbraw/zinc/12/09/08/445120908.db2.gz BMNOXUOHWXUIRZ-SJCJKPOMSA-N 0 3 346.387 1.489 20 5 EDBDHN COc1ccc(CN[C@@H]2CCO[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000343414088 445218366 /nfs/dbraw/zinc/21/83/66/445218366.db2.gz XGGUKGAUASDYQR-MLGOLLRUSA-N 0 3 332.360 1.957 20 5 EDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000362812076 445560436 /nfs/dbraw/zinc/56/04/36/445560436.db2.gz AEKVNSXQNYOAQX-CVEARBPZSA-N 0 3 333.388 1.507 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](OCCN(C)C)C2)c1 ZINC000360119372 445577078 /nfs/dbraw/zinc/57/70/78/445577078.db2.gz UYZDVCOEKJWETI-ZDUSSCGKSA-N 0 3 337.376 1.538 20 5 EDBDHN CC[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1C[C@@H](C)O ZINC000357324749 445548769 /nfs/dbraw/zinc/54/87/69/445548769.db2.gz RQGGXXUYMDKFMH-OLZOCXBDSA-N 0 3 345.403 1.819 20 5 EDBDHN CCc1n[nH]c(C(=O)N2CCC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000363005671 445645962 /nfs/dbraw/zinc/64/59/62/445645962.db2.gz JOYJYYWHQKILIP-GFCCVEGCSA-N 0 3 335.408 1.971 20 5 EDBDHN CCc1[nH]nc(C(=O)N2CCC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000363005671 445645966 /nfs/dbraw/zinc/64/59/66/445645966.db2.gz JOYJYYWHQKILIP-GFCCVEGCSA-N 0 3 335.408 1.971 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](C)CSC)cc1[N+](=O)[O-] ZINC000353757219 445741169 /nfs/dbraw/zinc/74/11/69/445741169.db2.gz HWBAFIZIJDPDFK-JTQLQIEISA-N 0 3 328.390 1.988 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000353761875 445743599 /nfs/dbraw/zinc/74/35/99/445743599.db2.gz FGDLIFFOFAWVTI-ZDUSSCGKSA-N 0 3 337.376 1.330 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000353775970 445749730 /nfs/dbraw/zinc/74/97/30/445749730.db2.gz JNHOUNKJEFOGJF-INIZCTEOSA-N 0 3 338.360 1.663 20 5 EDBDHN O=[N+]([O-])c1cnccc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000359094867 445942112 /nfs/dbraw/zinc/94/21/12/445942112.db2.gz LPHNKYKHHCBXFM-OAHLLOKOSA-N 0 3 328.372 1.590 20 5 EDBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000351143099 445999052 /nfs/dbraw/zinc/99/90/52/445999052.db2.gz RLPBRHXWHALQKN-LALPHHSUSA-N 0 3 349.387 1.877 20 5 EDBDHN O=C1O[C@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC12CCC2 ZINC000373218680 446101430 /nfs/dbraw/zinc/10/14/30/446101430.db2.gz IFVRCUHGNYWEAZ-ZDUSSCGKSA-N 0 3 334.376 1.914 20 5 EDBDHN C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000351504054 446110070 /nfs/dbraw/zinc/11/00/70/446110070.db2.gz UISUSTWHYPKQGH-RNCFNFMXSA-N 0 3 338.339 1.081 20 5 EDBDHN CN1CC[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000362022432 446159713 /nfs/dbraw/zinc/15/97/13/446159713.db2.gz MJTIUDXVOVQWLB-ZFWWWQNUSA-N 0 3 339.417 1.451 20 5 EDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000359348795 446166593 /nfs/dbraw/zinc/16/65/93/446166593.db2.gz VHFZLPMANUNPQU-CYBMUJFWSA-N 0 3 333.392 1.543 20 5 EDBDHN CCc1nn(C)c(N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000362010012 446148430 /nfs/dbraw/zinc/14/84/30/446148430.db2.gz MDMAMZUUGJCHIR-CYBMUJFWSA-N 0 3 336.440 1.107 20 5 EDBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccco1 ZINC000359537007 446280624 /nfs/dbraw/zinc/28/06/24/446280624.db2.gz FVDHAODXJWYVTQ-QWRGUYRKSA-N 0 3 335.364 1.781 20 5 EDBDHN CCc1ccc([C@@H](CO)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000359538362 446280932 /nfs/dbraw/zinc/28/09/32/446280932.db2.gz MTNGNXQPYYYHIN-JKSUJKDBSA-N 0 3 334.376 1.038 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C(C)C ZINC000411239473 446438326 /nfs/dbraw/zinc/43/83/26/446438326.db2.gz FZUMEFZFONTICB-UHFFFAOYSA-N 0 3 336.392 1.607 20 5 EDBDHN C[C@@H]1CCNC[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420436193 446611267 /nfs/dbraw/zinc/61/12/67/446611267.db2.gz NZYVGVKILRKLJH-RISCZKNCSA-N 0 3 327.406 1.055 20 5 EDBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCCN(CCN(C)C)CC1 ZINC000367945609 446613975 /nfs/dbraw/zinc/61/39/75/446613975.db2.gz RFAUTSCYGKTFOU-UHFFFAOYSA-N 0 3 334.420 1.871 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000411589900 446619123 /nfs/dbraw/zinc/61/91/23/446619123.db2.gz IJAKVVZASLKZAB-AWEZNQCLSA-N 0 3 348.403 1.783 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000434415468 446645489 /nfs/dbraw/zinc/64/54/89/446645489.db2.gz IJQQHAFKHNNOHO-AWEZNQCLSA-N 0 3 325.340 1.311 20 5 EDBDHN COc1cc(C(=O)N[C@H]2CNCCC2(F)F)cc([N+](=O)[O-])c1C ZINC000423697992 446646604 /nfs/dbraw/zinc/64/66/04/446646604.db2.gz LZEHAYPSJQGHIM-LBPRGKRZSA-N 0 3 329.303 1.639 20 5 EDBDHN COC(=O)[C@H]1CN(C)CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000411911335 446724777 /nfs/dbraw/zinc/72/47/77/446724777.db2.gz HEKCZUVMNPJWEL-ZDUSSCGKSA-N 0 3 337.376 1.140 20 5 EDBDHN Cc1ccc(NC(=O)NC[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000454141004 446789443 /nfs/dbraw/zinc/78/94/43/446789443.db2.gz GBZCLHCRUZHTAP-AWEZNQCLSA-N 0 3 336.392 1.872 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H](N(C)C)C2)c1F ZINC000411933624 446743324 /nfs/dbraw/zinc/74/33/24/446743324.db2.gz DNLOYKWMXQJXGR-LLVKDONJSA-N 0 3 339.367 1.838 20 5 EDBDHN Cc1cc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000368390884 446833641 /nfs/dbraw/zinc/83/36/41/446833641.db2.gz UGWKQJQDBUNDQE-KBPBESRZSA-N 0 3 334.376 1.888 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3nccs3)CC2)c1 ZINC000368403374 446840638 /nfs/dbraw/zinc/84/06/38/446840638.db2.gz CGEDLJKCRLNOHC-CYBMUJFWSA-N 0 3 337.405 1.488 20 5 EDBDHN CCc1ccccc1[C@H](N)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000423972048 446802092 /nfs/dbraw/zinc/80/20/92/446802092.db2.gz HPLYPGADKDFQGC-OAHLLOKOSA-N 0 3 345.403 1.905 20 5 EDBDHN O=C1Nc2ccccc2[C@]12CCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000368786960 447105997 /nfs/dbraw/zinc/10/59/97/447105997.db2.gz QOENLARVFYSARF-MRXNPFEDSA-N 0 3 327.344 1.387 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000421295598 447109740 /nfs/dbraw/zinc/10/97/40/447109740.db2.gz BEYJNEGBTHGMBJ-CYBMUJFWSA-N 0 3 334.376 1.394 20 5 EDBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CCCN(CCCO)C1 ZINC000455330299 447109787 /nfs/dbraw/zinc/10/97/87/447109787.db2.gz JYWZRAGQAVVHPS-GFCCVEGCSA-N 0 3 340.355 1.702 20 5 EDBDHN CNC(=O)[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421391804 447146717 /nfs/dbraw/zinc/14/67/17/447146717.db2.gz UNCJKOPSVDASFT-CYBMUJFWSA-N 0 3 343.387 1.563 20 5 EDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425552869 447228067 /nfs/dbraw/zinc/22/80/67/447228067.db2.gz SLQGMFMRYJNQDA-WDEREUQCSA-N 0 3 330.348 1.529 20 5 EDBDHN CCOc1cc(CN2CCCN([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000372807021 447294175 /nfs/dbraw/zinc/29/41/75/447294175.db2.gz QSAWWTFGEFJSDR-CQSZACIVSA-N 0 3 337.420 1.882 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CO)[C@@H]1CCCO1 ZINC000447915291 447297118 /nfs/dbraw/zinc/29/71/18/447297118.db2.gz RCJLQWMFYIRVLY-GJZGRUSLSA-N 0 3 337.376 1.361 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000421881986 447267272 /nfs/dbraw/zinc/26/72/72/447267272.db2.gz IYPHLFOUFJSSNY-UHFFFAOYSA-N 0 3 348.447 1.967 20 5 EDBDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415493085 447476857 /nfs/dbraw/zinc/47/68/57/447476857.db2.gz GCOFBDZHBPWMSI-GFCCVEGCSA-N 0 3 336.392 1.729 20 5 EDBDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415493086 447477282 /nfs/dbraw/zinc/47/72/82/447477282.db2.gz GCOFBDZHBPWMSI-LBPRGKRZSA-N 0 3 336.392 1.729 20 5 EDBDHN COc1cc(OCC(=O)NC(C)(C)CN(C)C)ccc1[N+](=O)[O-] ZINC000457215530 447544619 /nfs/dbraw/zinc/54/46/19/447544619.db2.gz ZDLZADUANVYQRB-UHFFFAOYSA-N 0 3 325.365 1.439 20 5 EDBDHN C[C@H](C(=O)NC[C@@](C)(O)CCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000420021178 447550457 /nfs/dbraw/zinc/55/04/57/447550457.db2.gz UEKPLKCGVRNWRQ-ZBEGNZNMSA-N 0 3 341.383 1.656 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397698185 447550662 /nfs/dbraw/zinc/55/06/62/447550662.db2.gz SXYMDWAWHIQTJX-UHFFFAOYSA-N 0 3 345.403 1.767 20 5 EDBDHN COc1cc(N2CCN([C@H]3CCNC(=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000450892379 447607048 /nfs/dbraw/zinc/60/70/48/447607048.db2.gz NTQBKOWXTAWXMF-CYBMUJFWSA-N 0 3 348.403 1.394 20 5 EDBDHN C[C@H]1C[C@@H]1N1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488724001 447849763 /nfs/dbraw/zinc/84/97/63/447849763.db2.gz BMPSQMWDDUYKJS-XUJVJEKNSA-N 0 3 332.404 1.860 20 5 EDBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])C1CC1 ZINC000549327388 447872488 /nfs/dbraw/zinc/87/24/88/447872488.db2.gz LNCRXESNSLUBDC-HNNXBMFYSA-N 0 3 343.387 1.958 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000524774971 447951630 /nfs/dbraw/zinc/95/16/30/447951630.db2.gz LDWFMJLARCWEFY-NSHDSACASA-N 0 3 335.360 1.438 20 5 EDBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)O1 ZINC000531013734 448000935 /nfs/dbraw/zinc/00/09/35/448000935.db2.gz CUHVINQMWZISHV-BETUJISGSA-N 0 3 338.408 1.553 20 5 EDBDHN COc1cc(C(=O)NC[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1OC ZINC000525055348 447966182 /nfs/dbraw/zinc/96/61/82/447966182.db2.gz PZLSIPKGQFOWSD-NSHDSACASA-N 0 3 337.376 1.684 20 5 EDBDHN COc1cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000514729786 448194212 /nfs/dbraw/zinc/19/42/12/448194212.db2.gz NHOREOJXFBQZEZ-JTQLQIEISA-N 0 3 335.360 1.410 20 5 EDBDHN CN(C)Cc1ccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000572056453 448273569 /nfs/dbraw/zinc/27/35/69/448273569.db2.gz SSPZOLPLFDJDHG-UHFFFAOYSA-N 0 3 329.360 1.564 20 5 EDBDHN O=C(NCc1ccccc1)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592156327 448716852 /nfs/dbraw/zinc/71/68/52/448716852.db2.gz YHVCJVOYBQCRKK-OAHLLOKOSA-N 0 3 343.387 1.430 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CC[C@H](O)C2)cc1 ZINC000592431259 448833293 /nfs/dbraw/zinc/83/32/93/448833293.db2.gz ACUOMMLHCVRLBI-AAEUAGOBSA-N 0 3 328.390 1.119 20 5 EDBDHN COc1cc(CCNC[C@@H](C)S(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000574402323 448866172 /nfs/dbraw/zinc/86/61/72/448866172.db2.gz WOFJATCTOPGVPX-SNVBAGLBSA-N 0 3 346.405 1.177 20 5 EDBDHN COc1ccc(CN(C)C)cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000520510463 448904907 /nfs/dbraw/zinc/90/49/07/448904907.db2.gz WUUAKSNOSUNBNZ-UHFFFAOYSA-N 0 3 333.348 1.949 20 5 EDBDHN COc1ccc(C[NH+](C)C)cc1NC(=O)c1n[n-]c(C)c1[N+](=O)[O-] ZINC000520510463 448904915 /nfs/dbraw/zinc/90/49/15/448904915.db2.gz WUUAKSNOSUNBNZ-UHFFFAOYSA-N 0 3 333.348 1.949 20 5 EDBDHN CCCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592833319 449009195 /nfs/dbraw/zinc/00/91/95/449009195.db2.gz YLUXGMSKFRJAJQ-OAHLLOKOSA-N 0 3 348.403 1.267 20 5 EDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000522287645 449074528 /nfs/dbraw/zinc/07/45/28/449074528.db2.gz AQAFKEODZYUREQ-LBPRGKRZSA-N 0 3 334.376 1.510 20 5 EDBDHN CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(C)C1 ZINC000597945558 449154675 /nfs/dbraw/zinc/15/46/75/449154675.db2.gz IDAXFBOMRFTAHK-HNNXBMFYSA-N 0 3 343.387 1.947 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N(C)CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000593722663 449160270 /nfs/dbraw/zinc/16/02/70/449160270.db2.gz JKLQEQXDGNEPPI-UHFFFAOYSA-N 0 3 348.403 1.786 20 5 EDBDHN CN(CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)CC(C)(C)C ZINC000602100538 449345251 /nfs/dbraw/zinc/34/52/51/449345251.db2.gz CTLDMANCSXULLT-CYBMUJFWSA-N 0 3 349.435 1.981 20 5 EDBDHN Cc1cc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c([N+](=O)[O-])s1 ZINC000596167640 449393932 /nfs/dbraw/zinc/39/39/32/449393932.db2.gz FSSIVSNGAVIQBO-LBPRGKRZSA-N 0 3 338.433 1.708 20 5 EDBDHN CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000600622616 449464051 /nfs/dbraw/zinc/46/40/51/449464051.db2.gz JSZWUEGODSDCQL-KWCYVHTRSA-N 0 3 348.403 1.549 20 5 EDBDHN COc1cc(OCC(=O)N2CCN[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598572904 449471825 /nfs/dbraw/zinc/47/18/25/449471825.db2.gz MRNXNTAPATXPLF-ZDUSSCGKSA-N 0 3 337.376 1.439 20 5 EDBDHN COCCN1CCC[C@@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598593411 449481414 /nfs/dbraw/zinc/48/14/14/449481414.db2.gz STNXWKNVIJUMME-LLVKDONJSA-N 0 3 338.364 1.299 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](n2ccnc2)C1 ZINC000612030433 449527951 /nfs/dbraw/zinc/52/79/51/449527951.db2.gz HDILVIJBGVJZRW-CABCVRRESA-N 0 3 346.387 1.868 20 5 EDBDHN COCCN(C)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601032713 449664222 /nfs/dbraw/zinc/66/42/22/449664222.db2.gz ZZNACEDNHPDOTR-UHFFFAOYSA-N 0 3 335.404 1.711 20 5 EDBDHN C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)CN1CCOCC1 ZINC000602549782 449667603 /nfs/dbraw/zinc/66/76/03/449667603.db2.gz DUWKEGNNUYHAAX-LBPRGKRZSA-N 0 3 334.376 1.794 20 5 EDBDHN NCc1cn([C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000598913550 449644355 /nfs/dbraw/zinc/64/43/55/449644355.db2.gz LZZOYMPDQSVJLT-CQSZACIVSA-N 0 3 345.363 1.514 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602619796 449709831 /nfs/dbraw/zinc/70/98/31/449709831.db2.gz RZSMEZOOCYSCID-ZDUSSCGKSA-N 0 3 347.419 1.852 20 5 EDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000599007582 449694394 /nfs/dbraw/zinc/69/43/94/449694394.db2.gz QOSVBAXKVRJHDQ-GOSISDBHSA-N 0 3 342.399 1.980 20 5 EDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000599007583 449695006 /nfs/dbraw/zinc/69/50/06/449695006.db2.gz QOSVBAXKVRJHDQ-SFHVURJKSA-N 0 3 342.399 1.980 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](n3cnc4c3CCCC4)C2)c1 ZINC000614740801 449784713 /nfs/dbraw/zinc/78/47/13/449784713.db2.gz KSIXDNLZMRIKOX-ZDUSSCGKSA-N 0 3 330.392 1.814 20 5 EDBDHN COc1ccc([C@H](CO)N(C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602788876 449809035 /nfs/dbraw/zinc/80/90/35/449809035.db2.gz XACGUHPEXZPDCP-HNNXBMFYSA-N 0 3 334.376 1.774 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](n3ccnc3)C2)c1 ZINC000609257768 449984219 /nfs/dbraw/zinc/98/42/19/449984219.db2.gz DQTRZZDRZJWLCE-HOTGVXAUSA-N 0 3 346.387 1.868 20 5 EDBDHN CN1CCC(N(C(=O)Cn2ccc([N+](=O)[O-])n2)c2ccccc2)CC1 ZINC000609566224 450052554 /nfs/dbraw/zinc/05/25/54/450052554.db2.gz DYTQSPWYCCNZIW-UHFFFAOYSA-N 0 3 343.387 1.919 20 5 EDBDHN NC(=O)c1cn(C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000599575247 450077667 /nfs/dbraw/zinc/07/76/67/450077667.db2.gz RDBITHSQWMURCM-UHFFFAOYSA-N 0 3 344.375 1.165 20 5 EDBDHN CN(C)CCN(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599621961 450110582 /nfs/dbraw/zinc/11/05/82/450110582.db2.gz OKZZPKNEMPHUAN-UHFFFAOYSA-N 0 3 330.182 1.991 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C1 ZINC000597574597 450117933 /nfs/dbraw/zinc/11/79/33/450117933.db2.gz QRXQQUSJZZIXJN-KRWDZBQOSA-N 0 3 346.387 1.605 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000597667115 450180513 /nfs/dbraw/zinc/18/05/13/450180513.db2.gz MARSBEIDFNSBJM-ZDUSSCGKSA-N 0 3 348.403 1.560 20 5 EDBDHN COC1CCN(CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000610573044 450264816 /nfs/dbraw/zinc/26/48/16/450264816.db2.gz OKLSMVCADUBTLS-UHFFFAOYSA-N 0 3 346.387 1.917 20 5 EDBDHN COCCN1CCC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000610667926 450291363 /nfs/dbraw/zinc/29/13/63/450291363.db2.gz DMEJTVYMNWEKJJ-OAHLLOKOSA-N 0 3 335.404 1.754 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000184323283 533913883 /nfs/dbraw/zinc/91/38/83/533913883.db2.gz DCKRXSRFUWNDKD-LLVKDONJSA-N 0 3 326.422 1.412 20 5 EDBDHN CN(C)CCN(CC1CCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000264301179 535855506 /nfs/dbraw/zinc/85/55/06/535855506.db2.gz YXECAWJHSBUYMM-UHFFFAOYSA-N 0 3 337.424 1.762 20 5 EDBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000353387291 536449897 /nfs/dbraw/zinc/44/98/97/536449897.db2.gz OCPXSIBSVOLCJG-CQSZACIVSA-N 0 3 343.387 1.912 20 5 EDBDHN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[C@H](N2CC=CC2)C1 ZINC000742164299 579437371 /nfs/dbraw/zinc/43/73/71/579437371.db2.gz YWPMDFNXXZUWAQ-ZDUSSCGKSA-N 0 3 342.355 1.094 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000725899027 578302952 /nfs/dbraw/zinc/30/29/52/578302952.db2.gz ZJEHXBCGVJXYIT-CHWSQXEVSA-N 0 3 344.371 1.669 20 5 EDBDHN CN1CCC2(CCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000748320730 579679195 /nfs/dbraw/zinc/67/91/95/579679195.db2.gz DCIBEIXLTOHRRN-UHFFFAOYSA-N 0 3 334.332 1.813 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000750094800 579751775 /nfs/dbraw/zinc/75/17/75/579751775.db2.gz RECMGYCLQWBJHK-RHSMWYFYSA-N 0 3 335.404 1.282 20 5 EDBDHN COC(=O)C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754535524 579905733 /nfs/dbraw/zinc/90/57/33/579905733.db2.gz HJUDGSXHZZVVSH-IINYFYTJSA-N 0 3 335.360 1.853 20 5 EDBDHN COC(=O)/C=C\c1ccc(NC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000762816260 580084411 /nfs/dbraw/zinc/08/44/11/580084411.db2.gz OBHPAEYJYUTEPU-DQOPKJQZSA-N 0 3 335.360 1.260 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000772848649 580321819 /nfs/dbraw/zinc/32/18/19/580321819.db2.gz XBQBWTZIZJJATB-QWHCGFSZSA-N 0 3 327.381 1.852 20 5 EDBDHN CCCNC(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776575575 580421650 /nfs/dbraw/zinc/42/16/50/580421650.db2.gz SSDMMTCPZPXIPI-MRXNPFEDSA-N 0 3 335.404 1.866 20 5 EDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000801601913 581081263 /nfs/dbraw/zinc/08/12/63/581081263.db2.gz RDSVKXFFFHFFHC-OAHLLOKOSA-N 0 3 349.347 1.235 20 5 EDBDHN CC(COC(=O)c1cc2c(cc1Br)OCO2)[N+](=O)[O-] ZINC000857030811 590814886 /nfs/dbraw/zinc/81/48/86/590814886.db2.gz YWWKNVWXJZIQHI-ZCFIWIBFSA-N 0 3 332.106 2.000 20 5 EDBDHN C[C@H]1CCCN1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000891612062 591150120 /nfs/dbraw/zinc/15/01/20/591150120.db2.gz JMDSCNYLXABINQ-ZDUSSCGKSA-N 0 3 335.408 1.790 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000892928926 591228343 /nfs/dbraw/zinc/22/83/43/591228343.db2.gz BVVMSMMILKLFBW-DOMZBBRYSA-N 0 3 334.376 1.319 20 5 EDBDHN Cc1c(CNC(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000894396200 591301164 /nfs/dbraw/zinc/30/11/64/591301164.db2.gz FQNXVYLTCQENEL-PBHICJAKSA-N 0 3 332.404 1.996 20 5 EDBDHN COC(=O)c1cnc(N2C[C@@]3(C)CN(C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000894799931 591420724 /nfs/dbraw/zinc/42/07/24/591420724.db2.gz BYRTXXZCPFECFH-HZPDHXFCSA-N 0 3 334.376 1.554 20 5 EDBDHN CN(C)CCn1nccc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000900771045 592119426 /nfs/dbraw/zinc/11/94/26/592119426.db2.gz PGKXUSZWDVIDMX-UHFFFAOYSA-N 0 3 329.360 1.556 20 5 EDBDHN COc1ccc(NC(=O)C2CN(C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000907300759 592591284 /nfs/dbraw/zinc/59/12/84/592591284.db2.gz RHEUNCDQAMWIGK-UHFFFAOYSA-N 0 3 335.360 1.653 20 5 EDBDHN CCN(CCO)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907440331 592635202 /nfs/dbraw/zinc/63/52/02/592635202.db2.gz GZCAABYINWAEEZ-UHFFFAOYSA-N 0 3 333.747 1.431 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907448438 592660999 /nfs/dbraw/zinc/66/09/99/592660999.db2.gz MPYUROIGUOEUGN-UHFFFAOYSA-N 0 3 349.387 1.922 20 5 EDBDHN CN(C)C1(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CCC1 ZINC000907608993 592718901 /nfs/dbraw/zinc/71/89/01/592718901.db2.gz PSCWDLVKRSJYCW-UHFFFAOYSA-N 0 3 349.387 1.970 20 5 EDBDHN COC(=O)c1cc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000812756924 593508782 /nfs/dbraw/zinc/50/87/82/593508782.db2.gz DRCVAURCZXXORJ-INIZCTEOSA-N 0 3 347.371 1.852 20 5 EDBDHN CC(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813112229 593518476 /nfs/dbraw/zinc/51/84/76/593518476.db2.gz ODUFHBRMNQNDRG-ZYHUDNBSSA-N 0 3 340.763 1.897 20 5 EDBDHN COc1ccc([C@@H]2[C@H](C(=O)OCC(C)[N+](=O)[O-])CC(=O)N2C)cc1 ZINC000813115346 593518934 /nfs/dbraw/zinc/51/89/34/593518934.db2.gz PQVLZIHIVQZOMC-PSOPSSQASA-N 0 3 336.344 1.423 20 5 EDBDHN COCCO[C@@H]1COCC[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819244274 593746318 /nfs/dbraw/zinc/74/63/18/593746318.db2.gz JPCXSXIMEFXVFD-HRCADAONSA-N 0 3 340.376 1.038 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000822933535 594124628 /nfs/dbraw/zinc/12/46/28/594124628.db2.gz JTEKQTQIZYDVRH-UONOGXRCSA-N 0 3 333.388 1.493 20 5 EDBDHN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H](N2CCCC2)C1 ZINC000825760246 594240045 /nfs/dbraw/zinc/24/00/45/594240045.db2.gz FUOPRIWPDGUNRI-JKSUJKDBSA-N 0 3 333.388 1.715 20 5 EDBDHN C[C@@H]1CN(CCCCNC(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H](C)O1 ZINC000826932610 594605037 /nfs/dbraw/zinc/60/50/37/594605037.db2.gz AWMODZCPCBDRHZ-ZIAGYGMSSA-N 0 3 329.441 1.828 20 5 EDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827332793 594661973 /nfs/dbraw/zinc/66/19/73/594661973.db2.gz SBUWWTBXOJNVHG-BMFZPTHFSA-N 0 3 333.388 1.571 20 5 EDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000842690787 595171414 /nfs/dbraw/zinc/17/14/14/595171414.db2.gz AXBDRGCQNSBLGY-UHFFFAOYSA-N 0 3 335.813 1.835 20 5 EDBDHN O=[N+]([O-])c1ccccc1NCCc1noc(C[C@@H]2CSCCN2)n1 ZINC000843185474 595300963 /nfs/dbraw/zinc/30/09/63/595300963.db2.gz VWIXBUHAMFUOJL-LLVKDONJSA-N 0 3 349.416 1.880 20 5 EDBDHN CN(C)CCN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000844375639 595333424 /nfs/dbraw/zinc/33/34/24/595333424.db2.gz KPBGETLNONCNMN-UHFFFAOYSA-N 0 3 340.811 1.454 20 5 EDBDHN COCCN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000844431749 595342649 /nfs/dbraw/zinc/34/26/49/595342649.db2.gz NKKKQZQVEJBGPN-MRXNPFEDSA-N 0 3 337.420 1.671 20 5 EDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000845577902 595521245 /nfs/dbraw/zinc/52/12/45/595521245.db2.gz ZHZBNOZHZZHCBA-NSHDSACASA-N 0 3 348.315 1.970 20 5 EDBDHN Cc1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000867606877 596456140 /nfs/dbraw/zinc/45/61/40/596456140.db2.gz GRYOYFUGJHBSDD-AWEZNQCLSA-N 0 3 348.403 1.072 20 5 EDBDHN CS[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@@H]1N(C)C ZINC000865645295 596637912 /nfs/dbraw/zinc/63/79/12/596637912.db2.gz WZBZFPZLJIHUQU-KBPBESRZSA-N 0 3 329.397 1.708 20 5 EDBDHN COc1cc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c([N+](=O)[O-])cc1OC ZINC000874847262 597198486 /nfs/dbraw/zinc/19/84/86/597198486.db2.gz NOMNBRGBQAKTMU-CHWSQXEVSA-N 0 3 349.387 1.921 20 5 EDBDHN CN(C)CCN(CCc1ccccc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000917674579 697058451 /nfs/dbraw/zinc/05/84/51/697058451.db2.gz XUQYSZDLEKFTAS-UHFFFAOYSA-N 0 3 345.403 1.424 20 5 EDBDHN CCc1n[nH]c(C(=O)N[C@@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171804319 529468298 /nfs/dbraw/zinc/46/82/98/529468298.db2.gz MDCNOGQQMWETDP-SRVKXCTJSA-N 0 3 337.424 1.977 20 5 EDBDHN CCN(CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000101957298 219175797 /nfs/dbraw/zinc/17/57/97/219175797.db2.gz PNXJXYJFWWEBIP-UHFFFAOYSA-N 0 3 337.376 1.583 20 5 EDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCCN1CCCC1 ZINC000179496310 233097474 /nfs/dbraw/zinc/09/74/74/233097474.db2.gz CHFVSXWQVBHITO-UHFFFAOYSA-N 0 3 341.433 1.543 20 5 EDBDHN Cn1cc(CNCC2(C)OCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179554857 233160051 /nfs/dbraw/zinc/16/00/51/233160051.db2.gz OFRISFUZSQDLIN-UHFFFAOYSA-N 0 3 332.360 1.848 20 5 EDBDHN Cc1ccc([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000067267407 138184629 /nfs/dbraw/zinc/18/46/29/138184629.db2.gz KMVVCAPJBHABKE-CQSZACIVSA-N 0 3 331.376 1.519 20 5 EDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000072639804 216286659 /nfs/dbraw/zinc/28/66/59/216286659.db2.gz SAVOKAOZTUJRRM-GXTWGEPZSA-N 0 3 332.360 1.228 20 5 EDBDHN Cn1cc2c(n1)CCC[C@H]2NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567105085 306437881 /nfs/dbraw/zinc/43/78/81/306437881.db2.gz PLXONTOLQZWBRF-XJKSGUPXSA-N 0 3 346.387 1.735 20 5 EDBDHN C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N(C)Cc1ccccc1 ZINC000110355051 220032446 /nfs/dbraw/zinc/03/24/46/220032446.db2.gz PQBNZVUGXGFIJF-ZDUSSCGKSA-N 0 3 331.376 1.428 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000110865666 220072419 /nfs/dbraw/zinc/07/24/19/220072419.db2.gz WIGRSDQWPVPDHT-RMKNXTFCSA-N 0 3 346.431 1.704 20 5 EDBDHN Cc1cc(C(=O)Nc2ccc(N3CCNCC3)cn2)ccc1[N+](=O)[O-] ZINC000262291209 139267140 /nfs/dbraw/zinc/26/71/40/139267140.db2.gz WDMQHJMACKTBFH-UHFFFAOYSA-N 0 3 341.371 1.960 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000262418813 139277786 /nfs/dbraw/zinc/27/77/86/139277786.db2.gz RNIORFDMCLTOEB-AWEZNQCLSA-N 0 3 329.360 1.103 20 5 EDBDHN C[C@H]1NCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000262701246 139297364 /nfs/dbraw/zinc/29/73/64/139297364.db2.gz ASYAUSHQJGPFCP-NEPJUHHUSA-N 0 3 329.360 1.603 20 5 EDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262832910 139306614 /nfs/dbraw/zinc/30/66/14/139306614.db2.gz VPILEKQTXPYBPF-NWDGAFQWSA-N 0 3 329.360 1.603 20 5 EDBDHN COc1cc(CNC[C@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])cc1OC ZINC000424192033 252158425 /nfs/dbraw/zinc/15/84/25/252158425.db2.gz RBPDIALQBRPOOZ-NSHDSACASA-N 0 3 337.376 1.570 20 5 EDBDHN Cn1cc(CN[C@@H]2CC(=O)N(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263692151 139353193 /nfs/dbraw/zinc/35/31/93/139353193.db2.gz CTFUHALMBVLJRO-CYBMUJFWSA-N 0 3 329.360 1.316 20 5 EDBDHN COCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000490086261 255078871 /nfs/dbraw/zinc/07/88/71/255078871.db2.gz XJLKWGRRFHVHAI-GJZGRUSLSA-N 0 3 340.376 1.072 20 5 EDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000264144302 139382819 /nfs/dbraw/zinc/38/28/19/139382819.db2.gz OWMYZLXQRRFDFF-LBPRGKRZSA-N 0 3 329.422 1.912 20 5 EDBDHN CC[C@H](NCCN1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268849962 139844282 /nfs/dbraw/zinc/84/42/82/139844282.db2.gz WITPRJFIVWEUKQ-KRWDZBQOSA-N 0 3 334.420 1.800 20 5 EDBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1[N+](=O)[O-] ZINC000271774125 140347653 /nfs/dbraw/zinc/34/76/53/140347653.db2.gz RASPJGVPRLLARM-ZYHUDNBSSA-N 0 3 335.320 1.411 20 5 EDBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331430312 141025333 /nfs/dbraw/zinc/02/53/33/141025333.db2.gz LYYJRWUIDFHLRQ-MGPQQGTHSA-N 0 3 347.419 1.875 20 5 EDBDHN Cc1cc(N[C@@H](CC(C)C)C(=O)NCCN(C)C)ncc1[N+](=O)[O-] ZINC000340078349 142258861 /nfs/dbraw/zinc/25/88/61/142258861.db2.gz KVJIQWSDAYFRAR-ZDUSSCGKSA-N 0 3 337.424 1.803 20 5 EDBDHN C[C@@H](CO)N1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000345004432 143038200 /nfs/dbraw/zinc/03/82/00/143038200.db2.gz ASWZQCKLRDHARX-LBPRGKRZSA-N 0 3 347.375 1.538 20 5 EDBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1)N(C)C ZINC000357872995 151180227 /nfs/dbraw/zinc/18/02/27/151180227.db2.gz PPCUQVHLKCKDOF-GUYCJALGSA-N 0 3 345.403 1.907 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](O)CN1CCCCC1 ZINC000360967073 152265894 /nfs/dbraw/zinc/26/58/94/152265894.db2.gz UZGFKERKOTVWDI-CYBMUJFWSA-N 0 3 336.392 1.213 20 5 EDBDHN Cc1nc(N[C@@H]2CCN(CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000363887646 153085967 /nfs/dbraw/zinc/08/59/67/153085967.db2.gz GUSOMOLKMOAIDK-CQSZACIVSA-N 0 3 335.408 1.117 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)C2(CC2)C1 ZINC000364316059 153204655 /nfs/dbraw/zinc/20/46/55/153204655.db2.gz LAUBYGNNCOUMDW-AWEZNQCLSA-N 0 3 335.360 1.389 20 5 EDBDHN CN1CCC[C@H](N2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000364553298 153267853 /nfs/dbraw/zinc/26/78/53/153267853.db2.gz BNDQSDPNLSQDNN-INIZCTEOSA-N 0 3 348.447 1.685 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[NH2+][C@H](C)C2)c1C ZINC000262809198 292292076 /nfs/dbraw/zinc/29/20/76/292292076.db2.gz TUBDFPSGEHNQQP-PWSUYJOCSA-N 0 3 327.406 1.630 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c1C ZINC000268803079 292291567 /nfs/dbraw/zinc/29/15/67/292291567.db2.gz QRPWJLZLVHFKHM-RISCZKNCSA-N 0 3 341.433 1.782 20 5 EDBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000407974804 158231852 /nfs/dbraw/zinc/23/18/52/158231852.db2.gz VFGNBPVVDJLWFQ-CHWSQXEVSA-N 0 3 339.417 1.808 20 5 EDBDHN CCN1CCC(NC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000352538335 162239079 /nfs/dbraw/zinc/23/90/79/162239079.db2.gz ISVHLXFLBMSITH-UHFFFAOYSA-N 0 3 348.447 1.670 20 5 EDBDHN Cc1c(NC(=O)CCN2CC[C@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000364491010 162332844 /nfs/dbraw/zinc/33/28/44/162332844.db2.gz BWWHZZSVYVKWOZ-ZDUSSCGKSA-N 0 3 344.375 1.770 20 5 EDBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC000417985783 304442552 /nfs/dbraw/zinc/44/25/52/304442552.db2.gz HTWMWEXRBHAPOW-GFCCVEGCSA-N 0 3 342.783 1.078 20 5 EDBDHN COCC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000273327251 268025386 /nfs/dbraw/zinc/02/53/86/268025386.db2.gz TUVDUSVDLQAONZ-UONOGXRCSA-N 0 3 338.364 1.421 20 5 EDBDHN COc1ccc(S(=O)(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000275461806 268346419 /nfs/dbraw/zinc/34/64/19/268346419.db2.gz KEUCTFXCMJQOKI-UHFFFAOYSA-N 0 3 343.405 1.366 20 5 EDBDHN COCCO[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275553565 268359685 /nfs/dbraw/zinc/35/96/85/268359685.db2.gz NBQPUSTUXITXGD-ZBFHGGJFSA-N 0 3 340.376 1.072 20 5 EDBDHN C[C@H]1C[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CN1C1CC1 ZINC000273465473 273041558 /nfs/dbraw/zinc/04/15/58/273041558.db2.gz JDMNONCGNBIJPF-VHSXEESVSA-N 0 3 340.405 1.279 20 5 EDBDHN COCCN(C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000275596198 273112251 /nfs/dbraw/zinc/11/22/51/273112251.db2.gz HHJNLHOVMDKKPT-UHFFFAOYSA-N 0 3 340.380 1.693 20 5 EDBDHN CN(C)CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047706517 272913704 /nfs/dbraw/zinc/91/37/04/272913704.db2.gz JKLYHNNOAYGPCT-UHFFFAOYSA-N 0 3 335.282 1.827 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NCCn1cccn1 ZINC000112548185 274119305 /nfs/dbraw/zinc/11/93/05/274119305.db2.gz NVJDTAWPYWLBPN-NSHDSACASA-N 0 3 333.348 1.417 20 5 EDBDHN CN1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000284703977 274300715 /nfs/dbraw/zinc/30/07/15/274300715.db2.gz SVCIDBLYSFPQBX-LSDHHAIUSA-N 0 3 336.348 1.408 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)N(C)C1 ZINC000284704310 274300732 /nfs/dbraw/zinc/30/07/32/274300732.db2.gz KDNFLUGJDQBGRD-RYUDHWBXSA-N 0 3 340.355 1.917 20 5 EDBDHN CC[C@@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])N(C)C ZINC000178348712 276406511 /nfs/dbraw/zinc/40/65/11/276406511.db2.gz LGJVDDATHNGBMR-LBPRGKRZSA-N 0 3 339.392 1.611 20 5 EDBDHN C[C@@H](Cn1cccn1)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000265090481 278300081 /nfs/dbraw/zinc/30/00/81/278300081.db2.gz SZFUIHLODDZOQV-LBPRGKRZSA-N 0 3 329.360 1.359 20 5 EDBDHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286818833 288096060 /nfs/dbraw/zinc/09/60/60/288096060.db2.gz QIAGDCUABQQIBH-CYBMUJFWSA-N 0 3 344.375 1.307 20 5 EDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000359990812 279132683 /nfs/dbraw/zinc/13/26/83/279132683.db2.gz DLLAWLGYGOASGW-LBPRGKRZSA-N 0 3 329.422 1.745 20 5 EDBDHN Cc1nn(C)c(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000288173144 288422835 /nfs/dbraw/zinc/42/28/35/288422835.db2.gz MQIVYQYPUQWDKJ-ZDUSSCGKSA-N 0 3 349.366 1.809 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 ZINC000377729921 447322870 /nfs/dbraw/zinc/32/28/70/447322870.db2.gz XXVNJKGEOHFENB-BFYDXBDKSA-N 0 3 333.388 1.819 20 5 EDBDHN Cc1c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293841307 303027496 /nfs/dbraw/zinc/02/74/96/303027496.db2.gz IZMOHVVPCNCTBE-MRXNPFEDSA-N 0 3 348.359 1.979 20 5 EDBDHN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294110367 303064378 /nfs/dbraw/zinc/06/43/78/303064378.db2.gz JZWSRPKGTOWJEY-GHMZBOCLSA-N 0 3 327.406 1.652 20 5 EDBDHN C[C@H](NC1CC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294971397 303158389 /nfs/dbraw/zinc/15/83/89/303158389.db2.gz GLNZLOVDIIJHLG-LBPRGKRZSA-N 0 3 346.387 1.020 20 5 EDBDHN CC[C@@H](CNS(C)(=O)=O)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000295104830 303173935 /nfs/dbraw/zinc/17/39/35/303173935.db2.gz UDCQAUYOCCIKCG-CFNZNRNTSA-N 0 3 327.406 1.525 20 5 EDBDHN CC[C@H](C)N1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000296125695 303296552 /nfs/dbraw/zinc/29/65/52/303296552.db2.gz RDJAZSQUWQFDHI-HOCLYGCPSA-N 0 3 337.420 1.751 20 5 EDBDHN CC[C@@H](C)N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000296125688 303296801 /nfs/dbraw/zinc/29/68/01/303296801.db2.gz RDJAZSQUWQFDHI-GDBMZVCRSA-N 0 3 337.420 1.751 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296556893 303323770 /nfs/dbraw/zinc/32/37/70/303323770.db2.gz WOKMGPGBWUWWFN-GXTWGEPZSA-N 0 3 336.392 1.676 20 5 EDBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)N(C)C)cc1 ZINC000301075425 303659978 /nfs/dbraw/zinc/65/99/78/303659978.db2.gz HBRBWCYQSPKRSK-LBPRGKRZSA-N 0 3 332.364 1.690 20 5 EDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1CCO ZINC000493569200 447343451 /nfs/dbraw/zinc/34/34/51/447343451.db2.gz RYPLFNNWUPMPQT-XVJNWHFHSA-N 0 3 333.388 1.571 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(CCN(C)C)CC1 ZINC000421744361 304811735 /nfs/dbraw/zinc/81/17/35/304811735.db2.gz ZSQUAXPLPPXZJN-UHFFFAOYSA-N 0 3 334.420 1.531 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000429770891 305036568 /nfs/dbraw/zinc/03/65/68/305036568.db2.gz GFJGGWDJTBSSOJ-ZIAGYGMSSA-N 0 3 334.376 1.062 20 5 EDBDHN O=C1[C@H](N[C@H]2CCC[C@H]2CCO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429772785 305036812 /nfs/dbraw/zinc/03/68/12/305036812.db2.gz YAABBECFZOAQBP-VBNZEHGJSA-N 0 3 333.388 1.841 20 5 EDBDHN Cc1cc(OCC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000432197252 305088851 /nfs/dbraw/zinc/08/88/51/305088851.db2.gz XGOITRYCJCSXTF-DOMZBBRYSA-N 0 3 333.388 1.881 20 5 EDBDHN CC(C)[C@H]1CN(C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000436482610 305158397 /nfs/dbraw/zinc/15/83/97/305158397.db2.gz IKGFUEPDCDPAEX-GDBMZVCRSA-N 0 3 337.420 1.607 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440856344 305213487 /nfs/dbraw/zinc/21/34/87/305213487.db2.gz HBPCUWPHMDPBTP-DTWKUNHWSA-N 0 3 347.368 1.291 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000442175295 305226724 /nfs/dbraw/zinc/22/67/24/305226724.db2.gz QJYWTACRXLOXRY-RYUDHWBXSA-N 0 3 334.376 1.441 20 5 EDBDHN COc1cc(C(=O)N(C)CCN2CCCC2)c([N+](=O)[O-])cc1F ZINC000448903991 305303401 /nfs/dbraw/zinc/30/34/01/305303401.db2.gz LOYXPYUEXSOPHV-UHFFFAOYSA-N 0 3 325.340 1.910 20 5 EDBDHN CCN1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000045059341 440944962 /nfs/dbraw/zinc/94/49/62/440944962.db2.gz GMIQQGZVCLZALK-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN COc1ccc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000104747513 441204205 /nfs/dbraw/zinc/20/42/05/441204205.db2.gz WVSHLYAOLMMGFI-LLVKDONJSA-N 0 3 343.405 1.176 20 5 EDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000064334128 441373632 /nfs/dbraw/zinc/37/36/32/441373632.db2.gz RKAIGYCHEGEAQS-BUWFCSEKSA-N 0 3 331.372 1.587 20 5 EDBDHN CN1CCN(CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087005336 441475373 /nfs/dbraw/zinc/47/53/73/441475373.db2.gz QJLWCNBFAURGON-UHFFFAOYSA-N 0 3 334.420 1.281 20 5 EDBDHN CCN1CCN(CCC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000089302710 441536558 /nfs/dbraw/zinc/53/65/58/441536558.db2.gz XHSVELVQUCOENO-UHFFFAOYSA-N 0 3 334.420 1.281 20 5 EDBDHN CN(C)C1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000075668978 441546415 /nfs/dbraw/zinc/54/64/15/441546415.db2.gz IIROWHXTMORKCN-UHFFFAOYSA-N 0 3 327.406 1.529 20 5 EDBDHN Cc1c(NC(=O)C(=O)NC2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000041240853 441640262 /nfs/dbraw/zinc/64/02/62/441640262.db2.gz LSWFDQSKDUANBS-UHFFFAOYSA-N 0 3 346.387 1.585 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000067823440 441683201 /nfs/dbraw/zinc/68/32/01/441683201.db2.gz SGQIQLGPWOTRBK-HNNXBMFYSA-N 0 3 343.387 1.490 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC(N)=O)CC(C)C ZINC000067962961 441702196 /nfs/dbraw/zinc/70/21/96/441702196.db2.gz FBPWYPFMLLUTQS-UHFFFAOYSA-N 0 3 336.392 1.675 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173486079 441766358 /nfs/dbraw/zinc/76/63/58/441766358.db2.gz BKPUWFKZGLNPSJ-CQSZACIVSA-N 0 3 334.420 1.831 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@H]([NH3+])C1 ZINC000125105777 441984769 /nfs/dbraw/zinc/98/47/69/441984769.db2.gz UKQGAEQQJYQULS-UWVGGRQHSA-N 0 3 329.378 1.152 20 5 EDBDHN COc1ccc(OCCN2CCC[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000175222275 442020974 /nfs/dbraw/zinc/02/09/74/442020974.db2.gz YNHFNVHVVGNHSW-GFCCVEGCSA-N 0 3 337.376 1.570 20 5 EDBDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162230695 442075036 /nfs/dbraw/zinc/07/50/36/442075036.db2.gz CEGUVVASWKVINW-ZDUSSCGKSA-N 0 3 341.433 1.351 20 5 EDBDHN Cc1nc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1[N+](=O)[O-] ZINC000151635807 442096512 /nfs/dbraw/zinc/09/65/12/442096512.db2.gz YERIUDDAGWNUAP-AWEZNQCLSA-N 0 3 333.392 1.041 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000129215185 442305964 /nfs/dbraw/zinc/30/59/64/442305964.db2.gz FWKQLGRETRNOMF-OAHLLOKOSA-N 0 3 343.387 1.745 20 5 EDBDHN COCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000177248251 442319177 /nfs/dbraw/zinc/31/91/77/442319177.db2.gz MNWTXNYWFSTYRM-AAEUAGOBSA-N 0 3 331.376 1.998 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153901815 442309871 /nfs/dbraw/zinc/30/98/71/442309871.db2.gz VYWLCIUOVMWJTA-CQSZACIVSA-N 0 3 341.433 1.698 20 5 EDBDHN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCOCC1 ZINC000130906906 442360103 /nfs/dbraw/zinc/36/01/03/442360103.db2.gz MALAPUIPAOBLJB-UHFFFAOYSA-N 0 3 333.388 1.808 20 5 EDBDHN COC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOCC1 ZINC000610959367 450392854 /nfs/dbraw/zinc/39/28/54/450392854.db2.gz MVIFIUZKLRJOSP-UHFFFAOYSA-N 0 3 338.360 1.651 20 5 EDBDHN COc1ccc(NC(=O)[C@@H](C)N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000178630047 442449367 /nfs/dbraw/zinc/44/93/67/442449367.db2.gz PNOXYAHLCINRAZ-CHWSQXEVSA-N 0 3 348.403 1.710 20 5 EDBDHN O=C(CCN1CCC(n2cncn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000156621098 442502333 /nfs/dbraw/zinc/50/23/33/442502333.db2.gz XURFDHPCTOBDSC-UHFFFAOYSA-N 0 3 344.375 1.852 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3ccncc3)CC2)c1 ZINC000191650957 442483451 /nfs/dbraw/zinc/48/34/51/442483451.db2.gz NQQDYZSNMGKCIQ-MRXNPFEDSA-N 0 3 331.376 1.427 20 5 EDBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000134961707 442541365 /nfs/dbraw/zinc/54/13/65/442541365.db2.gz GWJICEZRWKHSIK-ZDUSSCGKSA-N 0 3 329.360 1.885 20 5 EDBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000134961707 442541367 /nfs/dbraw/zinc/54/13/67/442541367.db2.gz GWJICEZRWKHSIK-ZDUSSCGKSA-N 0 3 329.360 1.885 20 5 EDBDHN Cc1cnc(CCN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000157857291 442621421 /nfs/dbraw/zinc/62/14/21/442621421.db2.gz NHDRXAAHYJVMSQ-LBPRGKRZSA-N 0 3 325.394 1.092 20 5 EDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173255170 442634506 /nfs/dbraw/zinc/63/45/06/442634506.db2.gz SWAVCKSVRSAVHP-DOMZBBRYSA-N 0 3 341.433 1.946 20 5 EDBDHN CCN1CCC[C@H]1CN(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181292238 442688394 /nfs/dbraw/zinc/68/83/94/442688394.db2.gz NHSHRPVMJOEKJA-LBPRGKRZSA-N 0 3 335.360 1.880 20 5 EDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)CN1CCN(C)CC1 ZINC000193576533 442756003 /nfs/dbraw/zinc/75/60/03/442756003.db2.gz SYRKENSRERZDLY-NSHDSACASA-N 0 3 326.422 1.270 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(C2CCCC2)CC1 ZINC000182205633 442745095 /nfs/dbraw/zinc/74/50/95/442745095.db2.gz ZXWYTKSBTSDOOK-INIZCTEOSA-N 0 3 349.431 1.895 20 5 EDBDHN C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CN1CCCC1 ZINC000193957636 442818966 /nfs/dbraw/zinc/81/89/66/442818966.db2.gz PBYVPBWPRVKINE-GFCCVEGCSA-N 0 3 327.406 1.605 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000268167512 442881214 /nfs/dbraw/zinc/88/12/14/442881214.db2.gz DQYDQZADHVOIQB-JSGCOSHPSA-N 0 3 332.404 1.630 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000268298277 442938002 /nfs/dbraw/zinc/93/80/02/442938002.db2.gz NYHGVHLBXHXGQP-YGRLFVJLSA-N 0 3 334.376 1.250 20 5 EDBDHN Cc1nc([C@@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000268421332 442982550 /nfs/dbraw/zinc/98/25/50/442982550.db2.gz CSIWJBSYUSQYIX-CYBMUJFWSA-N 0 3 344.375 1.500 20 5 EDBDHN Cc1n[nH]c([C@@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000268421332 442982552 /nfs/dbraw/zinc/98/25/52/442982552.db2.gz CSIWJBSYUSQYIX-CYBMUJFWSA-N 0 3 344.375 1.500 20 5 EDBDHN Cc1nnc([C@@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)[nH]1 ZINC000268421332 442982557 /nfs/dbraw/zinc/98/25/57/442982557.db2.gz CSIWJBSYUSQYIX-CYBMUJFWSA-N 0 3 344.375 1.500 20 5 EDBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)Cc2ccccc2C1 ZINC000265963756 442986585 /nfs/dbraw/zinc/98/65/85/442986585.db2.gz HYJDBISUOFMBGQ-UHFFFAOYSA-N 0 3 328.372 1.752 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000269031963 443177566 /nfs/dbraw/zinc/17/75/66/443177566.db2.gz ANRMAOSAUFPOAQ-DOTOQJQBSA-N 0 3 345.403 1.729 20 5 EDBDHN CN1CCN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000299139730 318882329 /nfs/dbraw/zinc/88/23/29/318882329.db2.gz IMFYGNFZZKPZAN-UHFFFAOYSA-N 0 3 335.408 1.023 20 5 EDBDHN COc1cc(CN[C@@H](CO)[C@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000411986331 319218646 /nfs/dbraw/zinc/21/86/46/319218646.db2.gz KJZNQJGCINBIRK-GWCFXTLKSA-N 0 3 328.340 1.620 20 5 EDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c1 ZINC000185835277 443266915 /nfs/dbraw/zinc/26/69/15/443266915.db2.gz ZYHJIFPEWJFPKP-ZDUSSCGKSA-N 0 3 339.417 1.701 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272437464 443316337 /nfs/dbraw/zinc/31/63/37/443316337.db2.gz KKOSXVRJBRSGJN-IUODEOHRSA-N 0 3 348.403 1.839 20 5 EDBDHN COC[C@H](C)OC[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278451429 443335439 /nfs/dbraw/zinc/33/54/39/443335439.db2.gz XNTRIIBTDCWICP-YDHLFZDLSA-N 0 3 326.393 1.966 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000264600938 443342023 /nfs/dbraw/zinc/34/20/23/443342023.db2.gz XQWUIQOEBUSTNT-CQSZACIVSA-N 0 3 335.408 1.577 20 5 EDBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCN1CCOC ZINC000264762865 443412208 /nfs/dbraw/zinc/41/22/08/443412208.db2.gz OARHVKQZWYCUSI-NSHDSACASA-N 0 3 335.364 1.678 20 5 EDBDHN CN(CCOCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000282632964 443394708 /nfs/dbraw/zinc/39/47/08/443394708.db2.gz YTPHDBHKWZASSY-UHFFFAOYSA-N 0 3 329.328 1.003 20 5 EDBDHN O=C1NC(=O)[C@]2(CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000279068422 443508159 /nfs/dbraw/zinc/50/81/59/443508159.db2.gz MHZGQIBGVHVEIL-MRXNPFEDSA-N 0 3 348.359 1.038 20 5 EDBDHN CCN1CCCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273051274 443528502 /nfs/dbraw/zinc/52/85/02/443528502.db2.gz VFCQQYFSENLRKF-INIZCTEOSA-N 0 3 346.387 1.642 20 5 EDBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000265258584 443586191 /nfs/dbraw/zinc/58/61/91/443586191.db2.gz XWIKJHUYZYQFKX-UKRRQHHQSA-N 0 3 339.417 1.808 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCN1CCCO ZINC000449387168 320187104 /nfs/dbraw/zinc/18/71/04/320187104.db2.gz KPXDYGMYTGDBHN-MRXNPFEDSA-N 0 3 337.420 1.930 20 5 EDBDHN CCN1C[C@@H](N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000449521701 320193866 /nfs/dbraw/zinc/19/38/66/320193866.db2.gz VBUYPQJIFRNIOJ-YPMHNXCESA-N 0 3 334.376 1.522 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)c2ncnc3sc([N+](=O)[O-])cc32)N(C)C1 ZINC000286325864 443691411 /nfs/dbraw/zinc/69/14/11/443691411.db2.gz YKMFHAVTOZTPLF-UWVGGRQHSA-N 0 3 337.405 1.755 20 5 EDBDHN CCN(CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000298261491 443733576 /nfs/dbraw/zinc/73/35/76/443733576.db2.gz VRBRMIXNUKSDMT-UHFFFAOYSA-N 0 3 348.403 1.751 20 5 EDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000525297348 320489177 /nfs/dbraw/zinc/48/91/77/320489177.db2.gz KVWIPPVQOSXVQE-OAHLLOKOSA-N 0 3 346.387 1.629 20 5 EDBDHN CN1CC[C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[C@@H]2C1 ZINC000285076472 443846697 /nfs/dbraw/zinc/84/66/97/443846697.db2.gz PODUINYFUZSGHS-QMTHXVAHSA-N 0 3 329.360 1.774 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000298790128 443869551 /nfs/dbraw/zinc/86/95/51/443869551.db2.gz JGLHHXQSIYTZNK-GFCCVEGCSA-N 0 3 335.360 1.727 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N[C@H](C)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC000299193174 443979211 /nfs/dbraw/zinc/97/92/11/443979211.db2.gz DBSJDWQNEIAFES-GFCCVEGCSA-N 0 3 336.392 1.687 20 5 EDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000552026818 320921928 /nfs/dbraw/zinc/92/19/28/320921928.db2.gz FFSLEYJYMATDGF-KRWDZBQOSA-N 0 3 344.371 1.263 20 5 EDBDHN O=C(CCNCCNC(=O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000562987251 321085574 /nfs/dbraw/zinc/08/55/74/321085574.db2.gz WXDIKAVLLCPZKK-UHFFFAOYSA-N 0 3 346.343 1.536 20 5 EDBDHN CCc1ccc(S(=O)(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000571399884 321386267 /nfs/dbraw/zinc/38/62/67/321386267.db2.gz MSPVGDRUDOTCBN-UHFFFAOYSA-N 0 3 341.433 1.920 20 5 EDBDHN CCN(C)C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301899895 444195818 /nfs/dbraw/zinc/19/58/18/444195818.db2.gz UEPOMCQXUMWEAS-LBPRGKRZSA-N 0 3 341.433 1.776 20 5 EDBDHN Cc1cc(NC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000296961415 444265558 /nfs/dbraw/zinc/26/55/58/444265558.db2.gz WLFIPVVDNVHUQM-IUODEOHRSA-N 0 3 336.392 1.822 20 5 EDBDHN COc1ccc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000304280052 444244954 /nfs/dbraw/zinc/24/49/54/444244954.db2.gz DNJQOBFSFXOXAU-GXFFZTMASA-N 0 3 338.339 1.651 20 5 EDBDHN CC1CCN(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000297098473 444274210 /nfs/dbraw/zinc/27/42/10/444274210.db2.gz YUWFEURTAUKJJP-UHFFFAOYSA-N 0 3 347.419 1.370 20 5 EDBDHN COc1ccc(OCCN[C@@](C)(C(N)=O)C(C)C)c([N+](=O)[O-])c1 ZINC000297810417 444337478 /nfs/dbraw/zinc/33/74/78/444337478.db2.gz YBLNZHZLRPHVNL-OAHLLOKOSA-N 0 3 325.365 1.472 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](O)[C@@H]1C ZINC000298054905 444399772 /nfs/dbraw/zinc/39/97/72/444399772.db2.gz FRBHUHJBYPUNAK-SMDDNHRTSA-N 0 3 337.376 1.777 20 5 EDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000340629126 444464761 /nfs/dbraw/zinc/46/47/61/444464761.db2.gz FZZHETBHAZAEGJ-OAHLLOKOSA-N 0 3 332.360 1.964 20 5 EDBDHN C[C@]1(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN(Cc2ccccc2)C1 ZINC000580340445 322039885 /nfs/dbraw/zinc/03/98/85/322039885.db2.gz WBNMDZPJWFILLT-INIZCTEOSA-N 0 3 329.360 1.712 20 5 EDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000344607421 445084784 /nfs/dbraw/zinc/08/47/84/445084784.db2.gz LBOBQICMJWVSCN-CYBMUJFWSA-N 0 3 337.424 1.763 20 5 EDBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@H]1N1CCN(C)CC1 ZINC000343165517 445109392 /nfs/dbraw/zinc/10/93/92/445109392.db2.gz RAZFXAULRBDIRZ-IUODEOHRSA-N 0 3 335.408 1.021 20 5 EDBDHN CO[C@H]1C[C@H](CO)N(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344671765 445119184 /nfs/dbraw/zinc/11/91/84/445119184.db2.gz GAGVIYBGEUALBF-OLZOCXBDSA-N 0 3 337.376 1.313 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000354503119 445267003 /nfs/dbraw/zinc/26/70/03/445267003.db2.gz POEPNDCVDGGWRH-LBPRGKRZSA-N 0 3 336.392 1.568 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000348298049 445246956 /nfs/dbraw/zinc/24/69/56/445246956.db2.gz NQIJXOKLTKIKBQ-KRWDZBQOSA-N 0 3 348.403 1.438 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000348149951 445289217 /nfs/dbraw/zinc/28/92/17/445289217.db2.gz XGCGHNMRDSRESC-NWDGAFQWSA-N 0 3 337.376 1.947 20 5 EDBDHN COCCN(C)CCCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000354578014 445301931 /nfs/dbraw/zinc/30/19/31/445301931.db2.gz XQNYBOQFRSSGKZ-UHFFFAOYSA-N 0 3 325.365 1.302 20 5 EDBDHN CN(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H]1O ZINC000359952591 445502045 /nfs/dbraw/zinc/50/20/45/445502045.db2.gz NYOYJYLPTKNWHU-LSDHHAIUSA-N 0 3 346.362 1.907 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000363063169 445665327 /nfs/dbraw/zinc/66/53/27/445665327.db2.gz WDEHETQZBNVLBG-MWLCHTKSSA-N 0 3 341.314 1.466 20 5 EDBDHN COc1ccc(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000349784739 445677782 /nfs/dbraw/zinc/67/77/82/445677782.db2.gz RLCWEHMLNUSCNO-NSHDSACASA-N 0 3 345.421 1.610 20 5 EDBDHN Cn1cc(C[C@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cn1 ZINC000363134499 445690710 /nfs/dbraw/zinc/69/07/10/445690710.db2.gz HXRJRNJVNYYJBW-GFCCVEGCSA-N 0 3 343.387 1.492 20 5 EDBDHN Cc1nnc(CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000353686895 445707289 /nfs/dbraw/zinc/70/72/89/445707289.db2.gz YLYHTUDNMRYZFF-HNNXBMFYSA-N 0 3 341.375 1.677 20 5 EDBDHN CN(CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000363269982 445748989 /nfs/dbraw/zinc/74/89/89/445748989.db2.gz QBNRBPQFPSHFHV-UONOGXRCSA-N 0 3 348.403 1.010 20 5 EDBDHN CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000356443011 445791871 /nfs/dbraw/zinc/79/18/71/445791871.db2.gz FJOKTQYFXBUDJZ-UHFFFAOYSA-N 0 3 333.348 1.521 20 5 EDBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCn2ccnc2C1 ZINC000366007375 445958114 /nfs/dbraw/zinc/95/81/14/445958114.db2.gz QEFCHMKSPSWBBA-LBPRGKRZSA-N 0 3 343.387 1.585 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc2c1CCNC2 ZINC000583559356 326095676 /nfs/dbraw/zinc/09/56/76/326095676.db2.gz HMPHGKJHOTUATF-UHFFFAOYSA-N 0 3 329.360 1.774 20 5 EDBDHN COc1cc(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000361905196 446054432 /nfs/dbraw/zinc/05/44/32/446054432.db2.gz CVHDAWBSDXNMQZ-SMDDNHRTSA-N 0 3 349.387 1.778 20 5 EDBDHN CCCN(CC)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351517615 446120841 /nfs/dbraw/zinc/12/08/41/446120841.db2.gz OKHNXRKSPXAWNN-UHFFFAOYSA-N 0 3 340.355 1.521 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CCNC[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000420257590 446436713 /nfs/dbraw/zinc/43/67/13/446436713.db2.gz FCCKQXPSSSWKJQ-CQSZACIVSA-N 0 3 326.328 1.223 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000411286997 446467746 /nfs/dbraw/zinc/46/77/46/446467746.db2.gz YDZOEOFDYWLLSS-CYBMUJFWSA-N 0 3 334.376 1.394 20 5 EDBDHN COc1cc(OCC(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000375022633 446520646 /nfs/dbraw/zinc/52/06/46/446520646.db2.gz SADNCZCLBLFGOG-IUODEOHRSA-N 0 3 349.387 1.535 20 5 EDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375025537 446524448 /nfs/dbraw/zinc/52/44/48/446524448.db2.gz ZNIPJQRWHXLTAX-XJKCOSOUSA-N 0 3 332.404 1.948 20 5 EDBDHN Cc1cc(S(=O)(=O)N[C@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000420441304 446616847 /nfs/dbraw/zinc/61/68/47/446616847.db2.gz IEQIXAINTWDOOL-NSHDSACASA-N 0 3 335.332 1.179 20 5 EDBDHN CN1CC[C@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000375239609 446663887 /nfs/dbraw/zinc/66/38/87/446663887.db2.gz NOOJYIXNMADGEL-WMLDXEAASA-N 0 3 344.415 1.510 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@](O)(CN(C)C)C2)c1 ZINC000619253776 450435611 /nfs/dbraw/zinc/43/56/11/450435611.db2.gz FSKRMFDYKBXRFY-INIZCTEOSA-N 0 3 337.376 1.132 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H](N(C)C)C2)c1F ZINC000411981624 446772884 /nfs/dbraw/zinc/77/28/84/446772884.db2.gz IZKRGVSRZSGHED-JTQLQIEISA-N 0 3 325.340 1.448 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CCCN(C)[C@@H]2C)c1F ZINC000412238569 446908191 /nfs/dbraw/zinc/90/81/91/446908191.db2.gz AOOPSHMEDKXTTL-PWSUYJOCSA-N 0 3 339.367 1.884 20 5 EDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442579667 446908312 /nfs/dbraw/zinc/90/83/12/446908312.db2.gz DQZRKTMVSGZICE-CQSZACIVSA-N 0 3 348.403 1.770 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCC2(N(C)C)CCC2)c1F ZINC000412264568 446914758 /nfs/dbraw/zinc/91/47/58/446914758.db2.gz BEPGAVKNJOACHF-UHFFFAOYSA-N 0 3 339.367 1.886 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000377197136 446985043 /nfs/dbraw/zinc/98/50/43/446985043.db2.gz PGZVXZYYMBHOJW-XHSDSOJGSA-N 0 3 336.388 1.965 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2CCOC[C@@H]2C1 ZINC000368815378 447128676 /nfs/dbraw/zinc/12/86/76/447128676.db2.gz CCJIPFXPOAMSDU-HNNXBMFYSA-N 0 3 348.403 1.248 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000368972837 447236829 /nfs/dbraw/zinc/23/68/29/447236829.db2.gz HYNYCERLFPPNKD-OKFGHLOFSA-N 0 3 347.415 1.913 20 5 EDBDHN O=[N+]([O-])c1cc2ccccc2nc1N[C@@H](CO)CN1CCCCC1 ZINC000450519711 447514094 /nfs/dbraw/zinc/51/40/94/447514094.db2.gz NDKVXAGINJOQSV-CQSZACIVSA-N 0 3 330.388 2.402 20 5 EDBDHN CNC(=O)c1ccc(NC[C@@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000450590207 447532141 /nfs/dbraw/zinc/53/21/41/447532141.db2.gz DCNSMHPEXNLMHS-ZDUSSCGKSA-N 0 3 336.392 1.213 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000420021742 447551310 /nfs/dbraw/zinc/55/13/10/447551310.db2.gz UZFVHHCFJOWUQD-MRXNPFEDSA-N 0 3 334.376 1.509 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCN(C)C2)c1 ZINC000416498440 447626178 /nfs/dbraw/zinc/62/61/78/447626178.db2.gz XHKZAFFNAOUUGJ-LBPRGKRZSA-N 0 3 327.406 1.442 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000416498876 447626251 /nfs/dbraw/zinc/62/62/51/447626251.db2.gz YXWIKMZGNSRORF-LLVKDONJSA-N 0 3 327.406 1.387 20 5 EDBDHN COCCNCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420220474 447676233 /nfs/dbraw/zinc/67/62/33/447676233.db2.gz UUTUDZGBTNWSPB-UHFFFAOYSA-N 0 3 334.351 2.444 20 5 EDBDHN CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(N)=O ZINC000429159018 447732280 /nfs/dbraw/zinc/73/22/80/447732280.db2.gz LKCITQLHZUKZBM-UHFFFAOYSA-N 0 3 338.364 1.129 20 5 EDBDHN Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)ccc1OCCN(C)C ZINC000458195918 447742374 /nfs/dbraw/zinc/74/23/74/447742374.db2.gz MILBUQPWNISESP-UHFFFAOYSA-N 0 3 347.375 1.679 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CO)CCSCC1 ZINC000459722168 447752718 /nfs/dbraw/zinc/75/27/18/447752718.db2.gz ZPGGCRDAENPLKM-UHFFFAOYSA-N 0 3 339.417 1.689 20 5 EDBDHN CC1(C)CCCN1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000452079712 447812743 /nfs/dbraw/zinc/81/27/43/447812743.db2.gz ASLGAMXTLXDTSM-UHFFFAOYSA-N 0 3 341.433 1.889 20 5 EDBDHN O=[N+]([O-])c1ccc(-c2noc(NC[C@@H](O)CN3CCCCC3)n2)cc1 ZINC000486967683 447826780 /nfs/dbraw/zinc/82/67/80/447826780.db2.gz NAKQJKWSASHEQK-CQSZACIVSA-N 0 3 347.375 1.904 20 5 EDBDHN NC(=O)[C@@H]1CCCN1CCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575815230 447905839 /nfs/dbraw/zinc/90/58/39/447905839.db2.gz DZTLRRKWCRIVQJ-ZBFHGGJFSA-N 0 3 332.404 1.512 20 5 EDBDHN COC(=O)c1cc(C(=O)NCCN2CC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000524775469 447951817 /nfs/dbraw/zinc/95/18/17/447951817.db2.gz YENVPTUUUMJVCT-NSHDSACASA-N 0 3 335.360 1.453 20 5 EDBDHN CCCN1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000553691752 447999473 /nfs/dbraw/zinc/99/94/73/447999473.db2.gz BOSVIACHYBZZPK-NSHDSACASA-N 0 3 335.360 1.928 20 5 EDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000554685320 448049121 /nfs/dbraw/zinc/04/91/21/448049121.db2.gz IEFKGYAELZNKBX-QGZVFWFLSA-N 0 3 344.371 1.263 20 5 EDBDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531288572 448054182 /nfs/dbraw/zinc/05/41/82/448054182.db2.gz JBTQZVRQGSQVJI-KBPBESRZSA-N 0 3 347.419 1.511 20 5 EDBDHN CC(COC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497044251 448152259 /nfs/dbraw/zinc/15/22/59/448152259.db2.gz MRDRPYAIRHDAHE-YUMQZZPRSA-N 0 3 326.296 1.743 20 5 EDBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)CC1 ZINC000532089099 448199524 /nfs/dbraw/zinc/19/95/24/448199524.db2.gz ZBTMLIJDDFGMJN-AWEZNQCLSA-N 0 3 349.435 1.174 20 5 EDBDHN CNc1nccc(C(=O)Nc2ccc(CN(C)C)cc2)c1[N+](=O)[O-] ZINC000515081226 448257560 /nfs/dbraw/zinc/25/75/60/448257560.db2.gz ZBRDAADAKZRTJG-UHFFFAOYSA-N 0 3 329.360 2.345 20 5 EDBDHN CN1CCC(CNc2cccnc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000591186671 448282653 /nfs/dbraw/zinc/28/26/53/448282653.db2.gz YORJPYDCASURIA-UHFFFAOYSA-N 0 3 335.408 1.198 20 5 EDBDHN C[C@H]1CCCC[C@@]1(C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000516290742 448409073 /nfs/dbraw/zinc/40/90/73/448409073.db2.gz UTWKUFGHTQAKHI-GWCFXTLKSA-N 0 3 328.394 1.176 20 5 EDBDHN COc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1O ZINC000578523205 448569583 /nfs/dbraw/zinc/56/95/83/448569583.db2.gz QOMDUPUZTHCHAV-AWEZNQCLSA-N 0 3 348.355 1.839 20 5 EDBDHN Cc1ccc(OC[C@@H](O)CNCCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000578998563 448690330 /nfs/dbraw/zinc/69/03/30/448690330.db2.gz XOVYLTDIUCWOQD-HNNXBMFYSA-N 0 3 334.376 1.438 20 5 EDBDHN N[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000573802000 448717403 /nfs/dbraw/zinc/71/74/03/448717403.db2.gz XHATUTYARMPBRQ-QWHCGFSZSA-N 0 3 348.384 1.105 20 5 EDBDHN COCCN(C)C[C@@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000567752617 448752585 /nfs/dbraw/zinc/75/25/85/448752585.db2.gz QGSHTAVFHJVCKQ-OAHLLOKOSA-N 0 3 334.376 1.397 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCN2C[C@H](C)C[C@H](C)C2)c1 ZINC000568108753 448818103 /nfs/dbraw/zinc/81/81/03/448818103.db2.gz LTDPGVUBPNPFDN-TXEJJXNPSA-N 0 3 337.376 1.521 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(CO)cc2)c1 ZINC000592430651 448832652 /nfs/dbraw/zinc/83/26/52/448832652.db2.gz YHGVTYRGJDOFJL-MRXNPFEDSA-N 0 3 332.356 1.617 20 5 EDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000588819133 448935208 /nfs/dbraw/zinc/93/52/08/448935208.db2.gz TWUJFRUIESFJCI-AWEZNQCLSA-N 0 3 336.440 1.336 20 5 EDBDHN C[C@H](C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000592872338 449029931 /nfs/dbraw/zinc/02/99/31/449029931.db2.gz LVOBZQSKIXBUOC-STQMWFEESA-N 0 3 348.403 1.277 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC3(CCN(C)CC3)C2)c1 ZINC000592898933 449042139 /nfs/dbraw/zinc/04/21/39/449042139.db2.gz OAOKPULDYSGCOD-UHFFFAOYSA-N 0 3 349.387 1.540 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCCN1CCCO ZINC000593731193 449165675 /nfs/dbraw/zinc/16/56/75/449165675.db2.gz UHBYTGDRNKTFRQ-AWEZNQCLSA-N 0 3 339.367 1.239 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000590446590 449167648 /nfs/dbraw/zinc/16/76/48/449167648.db2.gz UYKMYEHMMUMJSZ-LRDDRELGSA-N 0 3 341.371 1.557 20 5 EDBDHN Cc1sc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590400701 449148650 /nfs/dbraw/zinc/14/86/50/449148650.db2.gz YGFIJSAYLOUVND-AAEUAGOBSA-N 0 3 339.417 1.900 20 5 EDBDHN COC(=O)[C@H]1C[C@@H](N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595847724 449203277 /nfs/dbraw/zinc/20/32/77/449203277.db2.gz DJHVTEIEQQULJQ-TXEJJXNPSA-N 0 3 335.360 1.807 20 5 EDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590587876 449203700 /nfs/dbraw/zinc/20/37/00/449203700.db2.gz BPDLSSTXXMHHHF-FZMZJTMJSA-N 0 3 327.406 1.449 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000590564025 449193668 /nfs/dbraw/zinc/19/36/68/449193668.db2.gz BXUOFNDZJLCSNY-HOTGVXAUSA-N 0 3 333.388 1.838 20 5 EDBDHN COC(=O)COc1ccc(CN(C)CC2(C)COC2)cc1[N+](=O)[O-] ZINC000600192164 449235900 /nfs/dbraw/zinc/23/59/00/449235900.db2.gz SVZKCQAFEWJUMD-UHFFFAOYSA-N 0 3 338.360 1.615 20 5 EDBDHN CCN1CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000590684403 449246391 /nfs/dbraw/zinc/24/63/91/449246391.db2.gz UYYWWNJPCLRMMD-LLVKDONJSA-N 0 3 333.392 1.681 20 5 EDBDHN O=C(c1cccc2c1CNC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595929342 449259637 /nfs/dbraw/zinc/25/96/37/449259637.db2.gz RXIXXRQMLYTVOK-UHFFFAOYSA-N 0 3 341.371 1.872 20 5 EDBDHN Cc1nn(CCC(=O)N(C)CCN2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000593882465 449259749 /nfs/dbraw/zinc/25/97/49/449259749.db2.gz HYYSBINMYGIFDA-UHFFFAOYSA-N 0 3 337.424 1.743 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@H]2C1 ZINC000590767507 449286855 /nfs/dbraw/zinc/28/68/55/449286855.db2.gz GJVRWCSLSOSRNC-WBMJQRKESA-N 0 3 341.371 1.761 20 5 EDBDHN COC1CCN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593510450 449317191 /nfs/dbraw/zinc/31/71/91/449317191.db2.gz TVGKKUVRXCPYEB-UHFFFAOYSA-N 0 3 339.367 1.503 20 5 EDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611514263 449317857 /nfs/dbraw/zinc/31/78/57/449317857.db2.gz CLCANVYIVQXOED-LBPRGKRZSA-N 0 3 335.360 1.928 20 5 EDBDHN O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(NC2CC2)CCC1 ZINC000595954108 449279697 /nfs/dbraw/zinc/27/96/97/449279697.db2.gz QEJBKTSAYLHRNZ-UHFFFAOYSA-N 0 3 333.392 1.630 20 5 EDBDHN C[NH+](C)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)C ZINC000593547284 449339454 /nfs/dbraw/zinc/33/94/54/449339454.db2.gz UBGLXSACEHSYRQ-GFCCVEGCSA-N 0 3 344.437 1.635 20 5 EDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(N2CCCOCC2)CC1 ZINC000596267880 449446682 /nfs/dbraw/zinc/44/66/82/449446682.db2.gz AWDRFAHCWYISDM-UHFFFAOYSA-N 0 3 337.424 1.811 20 5 EDBDHN CC(C)N1CC[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598590418 449479709 /nfs/dbraw/zinc/47/97/09/449479709.db2.gz YCZMJFWNTUNHKQ-GFCCVEGCSA-N 0 3 336.396 1.116 20 5 EDBDHN NC[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000594451016 449525954 /nfs/dbraw/zinc/52/59/54/449525954.db2.gz BSBWFMYSTZVFSR-NSHDSACASA-N 0 3 332.282 1.789 20 5 EDBDHN CC1(C)CC[C@@H](CO)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000598650012 449520056 /nfs/dbraw/zinc/52/00/56/449520056.db2.gz WYYNNDMVXAZSKX-UONOGXRCSA-N 0 3 338.404 1.817 20 5 EDBDHN CC(C)(C)N1CC[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000594801469 449713105 /nfs/dbraw/zinc/71/31/05/449713105.db2.gz PCMSPCVDQSRMDX-ZDUSSCGKSA-N 0 3 341.433 1.887 20 5 EDBDHN NCc1cccc2c1N(S(=O)(=O)c1cccnc1[N+](=O)[O-])CCC2 ZINC000599101030 449732184 /nfs/dbraw/zinc/73/21/84/449732184.db2.gz GVDYJADWIPGSMG-UHFFFAOYSA-N 0 3 348.384 1.590 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CC[NH2+]C23CCC3)c1[N+](=O)[O-] ZINC000599103191 449734547 /nfs/dbraw/zinc/73/45/47/449734547.db2.gz PKYZPRYADLCYMC-LBPRGKRZSA-N 0 3 339.417 1.775 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000594956229 449819408 /nfs/dbraw/zinc/81/94/08/449819408.db2.gz IOJFPLZTYHAXPN-ZDUSSCGKSA-N 0 3 338.360 1.397 20 5 EDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000601421312 449938770 /nfs/dbraw/zinc/93/87/70/449938770.db2.gz DYMRZFIRTXIBDS-GXSJLCMTSA-N 0 3 347.824 1.961 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C1 ZINC000597574598 450118590 /nfs/dbraw/zinc/11/85/90/450118590.db2.gz QRXQQUSJZZIXJN-QGZVFWFLSA-N 0 3 346.387 1.605 20 5 EDBDHN CN(C)CCn1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000610478130 450234840 /nfs/dbraw/zinc/23/48/40/450234840.db2.gz MQURYYYSMLQRRZ-UHFFFAOYSA-N 0 3 332.364 1.675 20 5 EDBDHN CN1CC=C(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271918776 536332782 /nfs/dbraw/zinc/33/27/82/536332782.db2.gz JVDCATMROIUAMM-UHFFFAOYSA-N 0 3 346.387 1.093 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000725899029 578302963 /nfs/dbraw/zinc/30/29/63/578302963.db2.gz ZJEHXBCGVJXYIT-OLZOCXBDSA-N 0 3 344.371 1.669 20 5 EDBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CCN(CCO)CC1 ZINC000732414341 578710922 /nfs/dbraw/zinc/71/09/22/578710922.db2.gz JZNZCJCLXNATHL-UHFFFAOYSA-N 0 3 342.783 1.826 20 5 EDBDHN COc1cccc([C@H](O)CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000734512518 578819768 /nfs/dbraw/zinc/81/97/68/578819768.db2.gz RKBLHYYXRDXNAS-DLBZAZTESA-N 0 3 332.356 1.960 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000735221604 578868105 /nfs/dbraw/zinc/86/81/05/578868105.db2.gz RJZGLMTYUJAXJI-HNNXBMFYSA-N 0 3 344.371 1.917 20 5 EDBDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736265350 578970188 /nfs/dbraw/zinc/97/01/88/578970188.db2.gz IHWSTPAHCGBNHN-GHMZBOCLSA-N 0 3 346.395 1.702 20 5 EDBDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736265350 578970189 /nfs/dbraw/zinc/97/01/89/578970189.db2.gz IHWSTPAHCGBNHN-GHMZBOCLSA-N 0 3 346.395 1.702 20 5 EDBDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736265350 578970190 /nfs/dbraw/zinc/97/01/90/578970190.db2.gz IHWSTPAHCGBNHN-GHMZBOCLSA-N 0 3 346.395 1.702 20 5 EDBDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736265350 578970191 /nfs/dbraw/zinc/97/01/91/578970191.db2.gz IHWSTPAHCGBNHN-GHMZBOCLSA-N 0 3 346.395 1.702 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC2(CO)Cc3ccccc3C2)cc1 ZINC000776582803 580422194 /nfs/dbraw/zinc/42/21/94/580422194.db2.gz CAZYBCQCMYFYDE-KRWDZBQOSA-N 0 3 328.368 1.748 20 5 EDBDHN O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781951650 580561153 /nfs/dbraw/zinc/56/11/53/580561153.db2.gz ZQUVLLRXKIRXNC-ZBEGNZNMSA-N 0 3 344.371 1.441 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000788602084 580725531 /nfs/dbraw/zinc/72/55/31/580725531.db2.gz NOAANLISJNIJTR-AWEZNQCLSA-N 0 3 329.784 1.681 20 5 EDBDHN CN1CC[C@](O)(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC000893187141 590701580 /nfs/dbraw/zinc/70/15/80/590701580.db2.gz LPZHVXDJHPLEPS-HNNXBMFYSA-N 0 3 336.779 1.697 20 5 EDBDHN CC(COC(=O)CSCC(=O)N(C)C1CCCCC1)[N+](=O)[O-] ZINC000813109253 590833240 /nfs/dbraw/zinc/83/32/40/590833240.db2.gz HMACGJBUZMBCFK-NSHDSACASA-N 0 3 332.422 1.719 20 5 EDBDHN COc1ccc(CNC(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000892211684 590865489 /nfs/dbraw/zinc/86/54/89/590865489.db2.gz LBDYLTZEXRWARW-TZMCWYRMSA-N 0 3 334.376 1.449 20 5 EDBDHN CN(C)CC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000895324550 591714166 /nfs/dbraw/zinc/71/41/66/591714166.db2.gz IOBIAHJXRGEZEP-LBPRGKRZSA-N 0 3 341.433 1.776 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000897045126 591720199 /nfs/dbraw/zinc/72/01/99/591720199.db2.gz FHXBKYWYMRRSQG-CQSZACIVSA-N 0 3 347.415 1.675 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]3[C@H]2CCCN3CCO)s1 ZINC000897220563 591774069 /nfs/dbraw/zinc/77/40/69/591774069.db2.gz XNQUBUDSFDOGCX-VXGBXAGGSA-N 0 3 349.416 1.635 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]4[C@@H]3CCCN4CCO)nc2c1 ZINC000897220642 591775496 /nfs/dbraw/zinc/77/54/96/591775496.db2.gz CRQCWSOTOMQSLS-GJZGRUSLSA-N 0 3 331.376 1.507 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000897222536 591777320 /nfs/dbraw/zinc/77/73/20/591777320.db2.gz VOKKBXRMNWUTDL-ZIAGYGMSSA-N 0 3 349.387 1.417 20 5 EDBDHN C[C@H]1[C@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CCN1C ZINC000900666527 592085334 /nfs/dbraw/zinc/08/53/34/592085334.db2.gz NKJYJXDQSUXCNI-BLLLJJGKSA-N 0 3 343.387 1.662 20 5 EDBDHN CCN1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000910295728 592833344 /nfs/dbraw/zinc/83/33/44/592833344.db2.gz WTPOBPRYCDBNCF-NSHDSACASA-N 0 3 335.360 1.880 20 5 EDBDHN CS[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000867020292 593182530 /nfs/dbraw/zinc/18/25/30/593182530.db2.gz GXNGCKDQOWXMSP-OLZOCXBDSA-N 0 3 341.408 1.780 20 5 EDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc2cccnc21 ZINC000813102320 593517565 /nfs/dbraw/zinc/51/75/65/593517565.db2.gz DTLLRECQCDEJIU-SNVBAGLBSA-N 0 3 341.327 1.946 20 5 EDBDHN CC(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)[N+](=O)[O-] ZINC000813109440 593518097 /nfs/dbraw/zinc/51/80/97/593518097.db2.gz SKILAOPXTUKTNN-ZJUUUORDSA-N 0 3 348.402 1.110 20 5 EDBDHN CC(COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813107559 593518252 /nfs/dbraw/zinc/51/82/52/593518252.db2.gz SYCIQPRPGZCHMD-QMMMGPOBSA-N 0 3 327.249 1.644 20 5 EDBDHN CC(COC(=O)c1cnn2cc(Br)cnc12)[N+](=O)[O-] ZINC000813109782 593518425 /nfs/dbraw/zinc/51/84/25/593518425.db2.gz WQSQGNQQSSOWHN-LURJTMIESA-N 0 3 329.110 1.314 20 5 EDBDHN CSCC[C@H](NC(=O)c1ccco1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111529 593518619 /nfs/dbraw/zinc/51/86/19/593518619.db2.gz UHVFPSRICUWMSO-ZJUUUORDSA-N 0 3 330.362 1.340 20 5 EDBDHN CC(COC(=O)c1nccn2c(Br)cnc12)[N+](=O)[O-] ZINC000813115060 593518797 /nfs/dbraw/zinc/51/87/97/593518797.db2.gz JYLWOCPBLKHILZ-LURJTMIESA-N 0 3 329.110 1.314 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000816953697 593563248 /nfs/dbraw/zinc/56/32/48/593563248.db2.gz MFIITCGFQONNMJ-ZUZCIYMTSA-N 0 3 336.367 1.576 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000817490587 593607455 /nfs/dbraw/zinc/60/74/55/593607455.db2.gz HEDIONIZFFBYLQ-MLGOLLRUSA-N 0 3 346.387 1.640 20 5 EDBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC000818012321 593657134 /nfs/dbraw/zinc/65/71/34/593657134.db2.gz UMTXKWDKRAOPDZ-VIFPVBQESA-N 0 3 331.731 1.034 20 5 EDBDHN Cc1cc(F)cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1[N+](=O)[O-] ZINC000818294133 593690321 /nfs/dbraw/zinc/69/03/21/593690321.db2.gz SPNWVVLOILCRSL-UONOGXRCSA-N 0 3 347.350 1.343 20 5 EDBDHN CO[C@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000819070176 593737351 /nfs/dbraw/zinc/73/73/51/593737351.db2.gz TWPLISWEZIDMPD-CMPLNLGQSA-N 0 3 338.282 1.501 20 5 EDBDHN O=[N+]([O-])c1cnn(CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000819897718 593775018 /nfs/dbraw/zinc/77/50/18/593775018.db2.gz UJOKQIJQPPGWSX-DOTOQJQBSA-N 0 3 327.388 1.955 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000822689863 594086214 /nfs/dbraw/zinc/08/62/14/594086214.db2.gz IJBFJAYNMJXJMA-UHFFFAOYSA-N 0 3 348.447 1.967 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC([NH2+]C2CC2)CC1 ZINC000823629803 594222977 /nfs/dbraw/zinc/22/29/77/594222977.db2.gz HNCMKBNYEJEWPF-UHFFFAOYSA-N 0 3 329.364 1.496 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC([NH2+]C2CC2)CC1 ZINC000823629803 594222978 /nfs/dbraw/zinc/22/29/78/594222978.db2.gz HNCMKBNYEJEWPF-UHFFFAOYSA-N 0 3 329.364 1.496 20 5 EDBDHN COCCN1[C@H](C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000830070589 594330102 /nfs/dbraw/zinc/33/01/02/594330102.db2.gz WQCMXMSUQDTRQV-JKIFEVAISA-N 0 3 337.420 1.669 20 5 EDBDHN CN1CCN(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000827472999 594675646 /nfs/dbraw/zinc/67/56/46/594675646.db2.gz FNTMOEOYTWTMFX-UHFFFAOYSA-N 0 3 332.404 1.447 20 5 EDBDHN CCO[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000831776047 594702008 /nfs/dbraw/zinc/70/20/08/594702008.db2.gz DEGSGPGGRQDMIL-AWEZNQCLSA-N 0 3 325.365 1.057 20 5 EDBDHN COc1cc(Cc2noc(C(C)(C)CN)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843225582 595044038 /nfs/dbraw/zinc/04/40/38/595044038.db2.gz MGYCKCYIWLTDSJ-UHFFFAOYSA-N 0 3 336.348 1.822 20 5 EDBDHN Cc1c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834314991 595091850 /nfs/dbraw/zinc/09/18/50/595091850.db2.gz SKKWACHRFFCXQW-YGRLFVJLSA-N 0 3 334.332 1.588 20 5 EDBDHN CC(C)C[N@H+](C)CCC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000845957494 595104984 /nfs/dbraw/zinc/10/49/84/595104984.db2.gz PTYSVIZKFXAIST-UHFFFAOYSA-N 0 3 335.451 1.913 20 5 EDBDHN CC(C)C[N@@H+](C)CCC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000845957494 595104987 /nfs/dbraw/zinc/10/49/87/595104987.db2.gz PTYSVIZKFXAIST-UHFFFAOYSA-N 0 3 335.451 1.913 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000842479842 595116373 /nfs/dbraw/zinc/11/63/73/595116373.db2.gz FODYXSNFPNDVLF-VHSXEESVSA-N 0 3 347.824 1.962 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000834563474 595163100 /nfs/dbraw/zinc/16/31/00/595163100.db2.gz CDLTWHGKQOBZFM-OAHLLOKOSA-N 0 3 341.795 1.777 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000843789962 595186300 /nfs/dbraw/zinc/18/63/00/595186300.db2.gz CVMNZSKRAFMTOC-UHFFFAOYSA-N 0 3 338.408 1.311 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842916760 595234151 /nfs/dbraw/zinc/23/41/51/595234151.db2.gz ZZYZLQQQYDAYDB-RKDXNWHRSA-N 0 3 335.813 1.961 20 5 EDBDHN CN(CCN1CCCCC1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000846612766 595286035 /nfs/dbraw/zinc/28/60/35/595286035.db2.gz PPAFGACERXUEGI-UHFFFAOYSA-N 0 3 349.387 1.730 20 5 EDBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000861343437 595950494 /nfs/dbraw/zinc/95/04/94/595950494.db2.gz HZCMSAHPAULXSE-HOCLYGCPSA-N 0 3 338.360 1.626 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCN1 ZINC000856490243 596004856 /nfs/dbraw/zinc/00/48/56/596004856.db2.gz YQIOTVRLFZZVFD-LLVKDONJSA-N 0 3 335.389 1.670 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN(CCN2CCOCC2)CC2CC2)cc1 ZINC000852636431 596215156 /nfs/dbraw/zinc/21/51/56/596215156.db2.gz UNFFONYEILIPCY-SFHVURJKSA-N 0 3 349.431 1.672 20 5 EDBDHN O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)CCCN1CCCC1 ZINC000866713865 596305742 /nfs/dbraw/zinc/30/57/42/596305742.db2.gz ZOUDGXZCZHDRRK-UHFFFAOYSA-N 0 3 332.353 1.928 20 5 EDBDHN Cn1cc(CN2C[C@@H]3COC(=O)[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000862545338 596344006 /nfs/dbraw/zinc/34/40/06/596344006.db2.gz PHRBTQAXLMENNQ-UKRRQHHQSA-N 0 3 342.355 1.600 20 5 EDBDHN CC1(C)CCNCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000866804225 596356054 /nfs/dbraw/zinc/35/60/54/596356054.db2.gz RNPGPSHZKRNEMB-UHFFFAOYSA-N 0 3 331.369 1.497 20 5 EDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000865061332 596459237 /nfs/dbraw/zinc/45/92/37/596459237.db2.gz XVKNRKHYYZWAQO-QWHCGFSZSA-N 0 3 337.351 1.256 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(NCCCN2CCC(O)CC2)cc1F ZINC000865453251 596579015 /nfs/dbraw/zinc/57/90/15/596579015.db2.gz CJOPGBAZWJIXJN-UHFFFAOYSA-N 0 3 327.356 1.485 20 5 EDBDHN C[C@@H](CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)N(C)C1CC1 ZINC000863504121 596603774 /nfs/dbraw/zinc/60/37/74/596603774.db2.gz ZLOVJQYOBSHYEV-APPDUMDISA-N 0 3 346.387 1.845 20 5 EDBDHN C[C@@H]1C[C@H](N(C)C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000867947056 596629485 /nfs/dbraw/zinc/62/94/85/596629485.db2.gz YAERLDNEXKUQAQ-SUYBPPKGSA-N 0 3 334.420 1.710 20 5 EDBDHN C[C@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051437 596799394 /nfs/dbraw/zinc/79/93/94/596799394.db2.gz ILSZVMLSUSFXEC-QWRGUYRKSA-N 0 3 345.396 1.666 20 5 EDBDHN Cc1c(CNC[C@@]2(CO)COCC3(CCC3)N2C)cccc1[N+](=O)[O-] ZINC000873141861 597209213 /nfs/dbraw/zinc/20/92/13/597209213.db2.gz LLZUJHXWAVBGGD-GOSISDBHSA-N 0 3 349.431 1.609 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(C(=O)NCCCO)CC1 ZINC000876577736 597247824 /nfs/dbraw/zinc/24/78/24/597247824.db2.gz MENOGPGDXJHJEU-UHFFFAOYSA-N 0 3 349.431 1.922 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000877606541 597540896 /nfs/dbraw/zinc/54/08/96/597540896.db2.gz DPEABPLGVDJLJQ-AWEZNQCLSA-N 0 3 334.420 1.763 20 5 EDBDHN COc1ccc([C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CCN2)cc1 ZINC000879520618 597615251 /nfs/dbraw/zinc/61/52/51/597615251.db2.gz GXKBIJPOEYURMF-OAHLLOKOSA-N 0 3 331.376 1.446 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880582501 597970303 /nfs/dbraw/zinc/97/03/03/597970303.db2.gz OVIVHZKGXNYSNL-CVEARBPZSA-N 0 3 336.388 1.492 20 5 EDBDHN O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738369264 598468974 /nfs/dbraw/zinc/46/89/74/598468974.db2.gz JTFSHQJIFBRLJE-NSHDSACASA-N 0 3 344.379 1.235 20 5 EDBDHN O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738369264 598468976 /nfs/dbraw/zinc/46/89/76/598468976.db2.gz JTFSHQJIFBRLJE-NSHDSACASA-N 0 3 344.379 1.235 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)C2CCCC2)CC1 ZINC000939904914 700025737 /nfs/dbraw/zinc/02/57/37/700025737.db2.gz LQNONJQDUFFBQP-UHFFFAOYSA-N 0 3 349.435 1.989 20 5 EDBDHN CC(=O)NC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000050993393 214074975 /nfs/dbraw/zinc/07/49/75/214074975.db2.gz PTRREWFVYJJSIE-UHFFFAOYSA-N 0 3 334.376 1.524 20 5 EDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)S(C)(=O)=O ZINC000056988333 214398823 /nfs/dbraw/zinc/39/88/23/214398823.db2.gz OJUAJLNLNJTOJQ-NSHDSACASA-N 0 3 328.390 1.765 20 5 EDBDHN C[C@@H]1CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000174404515 231200289 /nfs/dbraw/zinc/20/02/89/231200289.db2.gz JAPLEHXXJKAWJK-VXGBXAGGSA-N 0 3 327.406 1.651 20 5 EDBDHN CC[C@H](NCCOCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000181149475 529604508 /nfs/dbraw/zinc/60/45/08/529604508.db2.gz DSCBMMPLKNXWKV-AWEZNQCLSA-N 0 3 330.406 1.697 20 5 EDBDHN C[C@]1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CCN(Cc2ccccc2)C1 ZINC000563233125 306324253 /nfs/dbraw/zinc/32/42/53/306324253.db2.gz FHDPLEVOVJMOCC-KRWDZBQOSA-N 0 3 343.387 1.572 20 5 EDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2ccccc2)c1 ZINC000065978387 138175413 /nfs/dbraw/zinc/17/54/13/138175413.db2.gz RUFOPGBNQKAQJM-UHFFFAOYSA-N 0 3 335.385 1.663 20 5 EDBDHN Cc1sc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000123939542 138322442 /nfs/dbraw/zinc/32/24/42/138322442.db2.gz AEDVFHFSYXVMAM-SNVBAGLBSA-N 0 3 333.435 1.679 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000072639687 216286469 /nfs/dbraw/zinc/28/64/69/216286469.db2.gz RKKOWZVQRRYZRJ-OCCSQVGLSA-N 0 3 346.387 1.537 20 5 EDBDHN CCOc1ccc([C@H](C)NC[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414201249 304105776 /nfs/dbraw/zinc/10/57/76/304105776.db2.gz XWMLGHIAFFKXDZ-WCQYABFASA-N 0 3 335.364 1.297 20 5 EDBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)COc2cccc3[nH]ccc32)c1 ZINC000565887071 306393739 /nfs/dbraw/zinc/39/37/39/306393739.db2.gz FHSWHEXSGFPFFN-ZDUSSCGKSA-N 0 3 345.359 1.302 20 5 EDBDHN N[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261858632 139232000 /nfs/dbraw/zinc/23/20/00/139232000.db2.gz WEEWQFZJGIDOSV-LSDHHAIUSA-N 0 3 340.383 1.960 20 5 EDBDHN C[C@@]1(F)CNCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420344155 251686709 /nfs/dbraw/zinc/68/67/09/251686709.db2.gz SGKMDIDVFOTFQZ-CQSZACIVSA-N 0 3 344.774 1.820 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000424228952 252170506 /nfs/dbraw/zinc/17/05/06/252170506.db2.gz VKPACMDJUBYAJB-JKSUJKDBSA-N 0 3 343.387 1.214 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC(=O)N(C)C1=O ZINC000424337949 252197631 /nfs/dbraw/zinc/19/76/31/252197631.db2.gz AGGGDXOHBXMDEE-ZWNOBZJWSA-N 0 3 348.359 1.049 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000153397612 224098615 /nfs/dbraw/zinc/09/86/15/224098615.db2.gz VAWPRZOYGRGCAY-AWEZNQCLSA-N 0 3 327.406 1.116 20 5 EDBDHN C[C@@H]1C[C@@H]1N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H](C)C1 ZINC000488711333 255050081 /nfs/dbraw/zinc/05/00/81/255050081.db2.gz HHEDVRPPIWTPCZ-WDMOLILDSA-N 0 3 333.392 1.255 20 5 EDBDHN Cc1sc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000490628023 255095864 /nfs/dbraw/zinc/09/58/64/255095864.db2.gz RJIBSQJRPAZOCS-ZDUSSCGKSA-N 0 3 345.446 1.681 20 5 EDBDHN CCN(CCO)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492592939 255181860 /nfs/dbraw/zinc/18/18/60/255181860.db2.gz JHWZOMPSCFKYRV-XQRVVYSFSA-N 0 3 325.340 1.178 20 5 EDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(CCCO)C1 ZINC000493498918 255212328 /nfs/dbraw/zinc/21/23/28/255212328.db2.gz RZEOFBUHYOBFOG-KIUWMYQTSA-N 0 3 333.388 1.571 20 5 EDBDHN CC[C@@]1(O)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000495225770 255274158 /nfs/dbraw/zinc/27/41/58/255274158.db2.gz ATIJLDCRBZWDHD-MRXNPFEDSA-N 0 3 335.360 1.740 20 5 EDBDHN CC(C)[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000118690719 221171094 /nfs/dbraw/zinc/17/10/94/221171094.db2.gz UKPKSXUNJASZAY-WFASDCNBSA-N 0 3 335.408 1.589 20 5 EDBDHN CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)NC ZINC000118832617 221192736 /nfs/dbraw/zinc/19/27/36/221192736.db2.gz ZIUCCUNSWHJMKC-UHFFFAOYSA-N 0 3 336.392 1.690 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000119422544 221317108 /nfs/dbraw/zinc/31/71/08/221317108.db2.gz PBYDZEHUENCVHI-CQSZACIVSA-N 0 3 331.376 1.977 20 5 EDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000119425138 221318347 /nfs/dbraw/zinc/31/83/47/221318347.db2.gz LTRGFXOPGJLJPC-ZIAGYGMSSA-N 0 3 333.388 1.916 20 5 EDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000264169314 139384152 /nfs/dbraw/zinc/38/41/52/139384152.db2.gz VERUOYQVTQCBOQ-LLVKDONJSA-N 0 3 345.421 1.612 20 5 EDBDHN COc1ccc(CNC(C)(C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000174637572 533656393 /nfs/dbraw/zinc/65/63/93/533656393.db2.gz TUODRLFBWWYONP-UHFFFAOYSA-N 0 3 330.406 1.906 20 5 EDBDHN CS[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270542184 140120155 /nfs/dbraw/zinc/12/01/55/140120155.db2.gz XVFLDAVUUSVGOP-KBPBESRZSA-N 0 3 339.417 1.478 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000344838469 143018177 /nfs/dbraw/zinc/01/81/77/143018177.db2.gz GWPBLPCELGBAKG-SFHVURJKSA-N 0 3 347.415 1.853 20 5 EDBDHN CCCN(CCN1CCCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000346238062 143182238 /nfs/dbraw/zinc/18/22/38/143182238.db2.gz OWOOFPXIEGDPIY-UHFFFAOYSA-N 0 3 337.424 1.906 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC(C)(C)CN(C)C)c1 ZINC000416506338 304326001 /nfs/dbraw/zinc/32/60/01/304326001.db2.gz GFURXMXNWUYIFR-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000369709233 155142831 /nfs/dbraw/zinc/14/28/31/155142831.db2.gz OZWIYWKDZZSQGM-HNNXBMFYSA-N 0 3 343.387 1.524 20 5 EDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000341066215 149060909 /nfs/dbraw/zinc/06/09/09/149060909.db2.gz KFZHOQRSARUMNA-STQMWFEESA-N 0 3 336.392 1.136 20 5 EDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCCC[C@@H]2n2cc(CO)nn2)c1 ZINC000353224439 149330265 /nfs/dbraw/zinc/33/02/65/149330265.db2.gz LMIXYKQNHQMLNV-HOTGVXAUSA-N 0 3 331.376 1.952 20 5 EDBDHN CC(C)(C)OC[C@H](O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974943 155261979 /nfs/dbraw/zinc/26/19/79/155261979.db2.gz QQBWIFMCIZRNSN-TZMCWYRMSA-N 0 3 326.397 1.604 20 5 EDBDHN Cn1c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000355326875 150219095 /nfs/dbraw/zinc/21/90/95/150219095.db2.gz ZVWKEHPJGCCKNT-CQSZACIVSA-N 0 3 344.371 1.752 20 5 EDBDHN COc1cccc(CN(CCN(C)C)c2ncc([N+](=O)[O-])cn2)c1 ZINC000357673914 151111798 /nfs/dbraw/zinc/11/17/98/151111798.db2.gz MAPHXEJFSGEBJH-UHFFFAOYSA-N 0 3 331.376 1.962 20 5 EDBDHN CN(C)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000357965096 151213190 /nfs/dbraw/zinc/21/31/90/151213190.db2.gz PDRPYNFMQLAJFU-CYBMUJFWSA-N 0 3 331.376 1.231 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000361429961 152392971 /nfs/dbraw/zinc/39/29/71/152392971.db2.gz LLKFBJGAZZSGIU-MRXNPFEDSA-N 0 3 346.431 1.755 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000191710506 286334531 /nfs/dbraw/zinc/33/45/31/286334531.db2.gz MRRSMQWRMMQOEF-GARJFASQSA-N 0 3 325.365 1.943 20 5 EDBDHN C[C@@H](CO)N1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364938839 153376938 /nfs/dbraw/zinc/37/69/38/153376938.db2.gz WLOMZVNBCWZSEL-NPQIQWPPSA-N 0 3 333.388 1.523 20 5 EDBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000364959371 153383575 /nfs/dbraw/zinc/38/35/75/153383575.db2.gz ZGCXDCJGKDONTO-WQVCFCJDSA-N 0 3 333.388 1.950 20 5 EDBDHN Cc1c(CNC(=O)N[C@@H]2CNCCC2(F)F)cccc1[N+](=O)[O-] ZINC000418084103 304456278 /nfs/dbraw/zinc/45/62/78/304456278.db2.gz UXMZERODNPPULJ-GFCCVEGCSA-N 0 3 328.319 1.700 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(CN(C)C)cc1 ZINC000068411787 287249061 /nfs/dbraw/zinc/24/90/61/287249061.db2.gz QJJBYQKVDFQOQY-UHFFFAOYSA-N 0 3 331.376 1.478 20 5 EDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NCCCNCc1cccnc1 ZINC000120795320 287364839 /nfs/dbraw/zinc/36/48/39/287364839.db2.gz REUZWQFOWXZRCU-UHFFFAOYSA-N 0 3 344.371 1.665 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122241658 222044617 /nfs/dbraw/zinc/04/46/17/222044617.db2.gz OIDXRXDOSBJZJS-CQSZACIVSA-N 0 3 334.420 1.598 20 5 EDBDHN Cc1cc(NC(=O)N(CCN(C)C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000133435364 287539173 /nfs/dbraw/zinc/53/91/73/287539173.db2.gz JZYOWAGYBCALTN-UHFFFAOYSA-N 0 3 337.424 1.860 20 5 EDBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000274057485 268103527 /nfs/dbraw/zinc/10/35/27/268103527.db2.gz ZOUAFOJSSWJHBK-SWLSCSKDSA-N 0 3 341.433 1.946 20 5 EDBDHN COC(=O)C[C@@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273106049 273028723 /nfs/dbraw/zinc/02/87/23/273028723.db2.gz FSCMWLIOSWKPSG-QWHCGFSZSA-N 0 3 338.360 1.362 20 5 EDBDHN COc1cc(C[NH2+]C[C@@H]2CCc3nccn3C2)c([N+](=O)[O-])cc1[O-] ZINC000275627570 273114766 /nfs/dbraw/zinc/11/47/66/273114766.db2.gz SAIXXWPVOGTDJS-NSHDSACASA-N 0 3 332.360 1.858 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)c2nc3sccn3c2[N+](=O)[O-])N(C)C1 ZINC000284625080 274269061 /nfs/dbraw/zinc/26/90/61/274269061.db2.gz UCILJGCGTBGSJX-UWVGGRQHSA-N 0 3 325.394 1.459 20 5 EDBDHN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000367045323 274331716 /nfs/dbraw/zinc/33/17/16/274331716.db2.gz KQQLVIBTHIXSRT-PBHICJAKSA-N 0 3 346.431 1.693 20 5 EDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000151629643 277075838 /nfs/dbraw/zinc/07/58/38/277075838.db2.gz QIPWVHKLVOBATG-AWEZNQCLSA-N 0 3 336.367 1.477 20 5 EDBDHN CN1CC[C@@H]2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21 ZINC000375042848 277146619 /nfs/dbraw/zinc/14/66/19/277146619.db2.gz SUSHAKGHMCVKHL-KBRIMQKVSA-N 0 3 344.415 1.726 20 5 EDBDHN CS(=O)(=O)C1(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000359030944 278103895 /nfs/dbraw/zinc/10/38/95/278103895.db2.gz SHCJYLFMCYQZCX-NWDGAFQWSA-N 0 3 342.421 1.442 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000261756724 301014233 /nfs/dbraw/zinc/01/42/33/301014233.db2.gz VIRLTNWCHUVMKG-ZDUSSCGKSA-N 0 3 347.396 1.982 20 5 EDBDHN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420441913 304758561 /nfs/dbraw/zinc/75/85/61/304758561.db2.gz PEZWXOQRXRMWIK-RQJHMYQMSA-N 0 3 341.311 1.628 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293952849 303043502 /nfs/dbraw/zinc/04/35/02/303043502.db2.gz SDGCCZIOJNGZHI-JKSUJKDBSA-N 0 3 348.403 1.328 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)N2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000295307926 303202649 /nfs/dbraw/zinc/20/26/49/303202649.db2.gz RPOKJRFRPFCNQK-NSHDSACASA-N 0 3 336.367 1.720 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000440766803 305212538 /nfs/dbraw/zinc/21/25/38/305212538.db2.gz ZDEBZNOGEBSELY-CHWSQXEVSA-N 0 3 341.433 1.878 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000441238018 305219426 /nfs/dbraw/zinc/21/94/26/305219426.db2.gz XRLPWHVHCQRLOX-TZMCWYRMSA-N 0 3 347.419 1.931 20 5 EDBDHN Cc1c(NC(=O)CCN[C@@H](CO)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447910801 305288660 /nfs/dbraw/zinc/28/86/60/305288660.db2.gz DIVABLZIKATOSC-DZGCQCFKSA-N 0 3 337.376 1.361 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451293735 305336840 /nfs/dbraw/zinc/33/68/40/305336840.db2.gz BLFQURLQBUCQFI-APHBMKBZSA-N 0 3 336.388 1.965 20 5 EDBDHN NC(=O)c1ccc(CN[C@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000451612446 305356297 /nfs/dbraw/zinc/35/62/97/305356297.db2.gz QDMYWBOWAAFSFQ-HOCLYGCPSA-N 0 3 333.388 1.580 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000449450862 447373668 /nfs/dbraw/zinc/37/36/68/447373668.db2.gz PGPVIZSWHDSTNF-NSHDSACASA-N 0 3 340.376 1.786 20 5 EDBDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000449937440 447415426 /nfs/dbraw/zinc/41/54/26/447415426.db2.gz BZNZLPFAOMXFSK-VHSXEESVSA-N 0 3 325.340 1.955 20 5 EDBDHN NC[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000415423182 447422242 /nfs/dbraw/zinc/42/22/42/447422242.db2.gz GDVFGJONIKPSDP-AWEZNQCLSA-N 0 3 334.376 1.557 20 5 EDBDHN CNC(=O)c1ccc(NCCN2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000080267764 441156783 /nfs/dbraw/zinc/15/67/83/441156783.db2.gz GUEVJJLIDUUMDN-UHFFFAOYSA-N 0 3 336.392 1.477 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000060113401 441233575 /nfs/dbraw/zinc/23/35/75/441233575.db2.gz PJODGHJOOABSCC-CQSZACIVSA-N 0 3 339.417 1.844 20 5 EDBDHN NC(=O)C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104661548 441199341 /nfs/dbraw/zinc/19/93/41/441199341.db2.gz ARMLTDLJPGQGAA-UHFFFAOYSA-N 0 3 344.371 1.990 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000104747837 441203790 /nfs/dbraw/zinc/20/37/90/441203790.db2.gz RTAANHNUJAEVLQ-LBPRGKRZSA-N 0 3 341.433 1.729 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000104747458 441203848 /nfs/dbraw/zinc/20/38/48/441203848.db2.gz CULUBHCEHBIFNU-LBPRGKRZSA-N 0 3 327.406 1.475 20 5 EDBDHN CCN(CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000073076143 441290679 /nfs/dbraw/zinc/29/06/79/441290679.db2.gz RWXLIOWSDFVWMS-UHFFFAOYSA-N 0 3 349.387 1.509 20 5 EDBDHN CCCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(N)=O ZINC000063500230 441334209 /nfs/dbraw/zinc/33/42/09/441334209.db2.gz XRYZABUWHZCXOW-UHFFFAOYSA-N 0 3 336.392 1.819 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(CCC(F)(F)F)CC2CC2)c1 ZINC000084137689 441384423 /nfs/dbraw/zinc/38/44/23/441384423.db2.gz LRKLGFLMNATHMR-GFCCVEGCSA-N 0 3 336.314 1.817 20 5 EDBDHN NC(=O)c1ccc(CN2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000027119801 441395331 /nfs/dbraw/zinc/39/53/31/441395331.db2.gz SKNRYJGBUOYJBC-UHFFFAOYSA-N 0 3 332.404 1.754 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(CC3CC3)CC2)c1 ZINC000051426746 441410639 /nfs/dbraw/zinc/41/06/39/441410639.db2.gz WIXWOXLJNHHSAO-MRXNPFEDSA-N 0 3 335.404 1.362 20 5 EDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NCCCN2CCCCC2)cc1 ZINC000075656773 441546753 /nfs/dbraw/zinc/54/67/53/441546753.db2.gz JEEXFTGFWGKTIK-UHFFFAOYSA-N 0 3 341.433 1.890 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000112922515 441569516 /nfs/dbraw/zinc/56/95/16/441569516.db2.gz FJYBCDYRHVGSTC-AWEZNQCLSA-N 0 3 348.447 1.907 20 5 EDBDHN CC[C@H](C)[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015400 441614413 /nfs/dbraw/zinc/61/44/13/441614413.db2.gz YAHTWSFPNBZYQU-NWDGAFQWSA-N 0 3 329.422 1.897 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CN1Cc1ccccc1 ZINC000137430879 441768921 /nfs/dbraw/zinc/76/89/21/441768921.db2.gz VGCRVTVKMHQDKB-DZGCQCFKSA-N 0 3 343.387 1.571 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(OC3CCCC3)CC2)c1 ZINC000173598068 441802648 /nfs/dbraw/zinc/80/26/48/441802648.db2.gz MUDQDBWHEHPYKV-AWEZNQCLSA-N 0 3 338.408 1.576 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000139336814 441811502 /nfs/dbraw/zinc/81/15/02/441811502.db2.gz PYAIREDAPQPVTO-AWEZNQCLSA-N 0 3 347.419 1.521 20 5 EDBDHN CN(C)CCN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175265664 442028675 /nfs/dbraw/zinc/02/86/75/442028675.db2.gz GHOWKKARVAKFMC-UHFFFAOYSA-N 0 3 330.182 1.991 20 5 EDBDHN CN(C)CCn1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000079870321 442092250 /nfs/dbraw/zinc/09/22/50/442092250.db2.gz OOVDQIYTJBZRGQ-UHFFFAOYSA-N 0 3 346.391 1.428 20 5 EDBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1C ZINC000182146389 442739865 /nfs/dbraw/zinc/73/98/65/442739865.db2.gz YKEDJJDJWDVHJL-ZYHUDNBSSA-N 0 3 335.360 1.878 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246685259 442802038 /nfs/dbraw/zinc/80/20/38/442802038.db2.gz MQNNZJDAOGJNFD-UNEWFSDZSA-N 0 3 336.388 1.835 20 5 EDBDHN C[C@@H]1CCNC(=O)[C@@H]1NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000193647536 442763773 /nfs/dbraw/zinc/76/37/73/442763773.db2.gz KTVUDWMMTTWUSJ-BDJLRTHQSA-N 0 3 344.371 1.907 20 5 EDBDHN CN(CCCN1CCN(C)CC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000265586552 442834464 /nfs/dbraw/zinc/83/44/64/442834464.db2.gz XKUVUDYYWXZRLW-UHFFFAOYSA-N 0 3 327.816 1.717 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000268221749 442905806 /nfs/dbraw/zinc/90/58/06/442905806.db2.gz JMRBMBAVYPSWPX-WCQYABFASA-N 0 3 327.406 1.474 20 5 EDBDHN CCN(C)C(=O)[C@@H](C)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000189406593 442943064 /nfs/dbraw/zinc/94/30/64/442943064.db2.gz UYOUORDNIBIMOZ-VXGBXAGGSA-N 0 3 336.392 1.768 20 5 EDBDHN C[C@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184799104 443077865 /nfs/dbraw/zinc/07/78/65/443077865.db2.gz AGMBKNXXVSUMJP-LEWSCRJBSA-N 0 3 334.376 1.556 20 5 EDBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411899007 319211663 /nfs/dbraw/zinc/21/16/63/319211663.db2.gz ASZYGBSFNZHBTM-UHFFFAOYSA-N 0 3 339.392 1.690 20 5 EDBDHN CCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000412879513 319247544 /nfs/dbraw/zinc/24/75/44/319247544.db2.gz PHYVQANVIQWEGI-ZDUSSCGKSA-N 0 3 329.360 1.605 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267078851 443334782 /nfs/dbraw/zinc/33/47/82/443334782.db2.gz FYQRJPSVVYCPHP-OAHLLOKOSA-N 0 3 339.417 1.527 20 5 EDBDHN CCS(=O)(=O)NCCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282440022 443339063 /nfs/dbraw/zinc/33/90/63/443339063.db2.gz KXQCLQCLOGHVMH-UHFFFAOYSA-N 0 3 329.422 1.399 20 5 EDBDHN COC(=O)C[C@@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269658312 443383434 /nfs/dbraw/zinc/38/34/34/443383434.db2.gz NTXLOETZXRYXOG-LBPRGKRZSA-N 0 3 335.360 1.951 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000272617359 443384209 /nfs/dbraw/zinc/38/42/09/443384209.db2.gz XMSIJPLQPVIOML-GHMZBOCLSA-N 0 3 335.360 1.594 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000272617365 443384352 /nfs/dbraw/zinc/38/43/52/443384352.db2.gz XMSIJPLQPVIOML-QWRGUYRKSA-N 0 3 335.360 1.594 20 5 EDBDHN C[C@@H]1CCN[C@@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000423408344 319772679 /nfs/dbraw/zinc/77/26/79/319772679.db2.gz ADFZCKIWVFTLES-YRGRVCCFSA-N 0 3 333.392 1.391 20 5 EDBDHN Nc1nc(NCc2ccccc2CN2CC[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000273078374 443532673 /nfs/dbraw/zinc/53/26/73/443532673.db2.gz GULVZNIRZRRBMX-CYBMUJFWSA-N 0 3 344.375 1.146 20 5 EDBDHN CN1CC=C(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272228761 443562685 /nfs/dbraw/zinc/56/26/85/443562685.db2.gz VILAYIFWQBWLHX-UHFFFAOYSA-N 0 3 333.373 1.591 20 5 EDBDHN C[C@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CN1C1CC1 ZINC000267851030 443597826 /nfs/dbraw/zinc/59/78/26/443597826.db2.gz FQCUUNLVKODIHU-VHSXEESVSA-N 0 3 340.405 1.279 20 5 EDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000440069555 320061135 /nfs/dbraw/zinc/06/11/35/320061135.db2.gz HLMCRSRFZCLGEZ-LBPRGKRZSA-N 0 3 329.422 1.912 20 5 EDBDHN CN1CCC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447804125 320145080 /nfs/dbraw/zinc/14/50/80/320145080.db2.gz WUNVCLFTFQCKDT-UHFFFAOYSA-N 0 3 334.420 1.933 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000492783614 320386233 /nfs/dbraw/zinc/38/62/33/320386233.db2.gz QMFNQTBZPCUTGK-KQLNYGGHSA-N 0 3 331.372 1.540 20 5 EDBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C1CC1)N1CCCC1 ZINC000277871263 444056249 /nfs/dbraw/zinc/05/62/49/444056249.db2.gz DNAOVVJYCWSCCD-MRXNPFEDSA-N 0 3 343.387 1.962 20 5 EDBDHN Cn1ccnc1[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587363 321393355 /nfs/dbraw/zinc/39/33/55/321393355.db2.gz PUFZIOCEXKEDDB-KBPBESRZSA-N 0 3 346.387 1.558 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302257932 444210638 /nfs/dbraw/zinc/21/06/38/444210638.db2.gz ORBUSQVCDHKWNR-GFCCVEGCSA-N 0 3 333.396 1.075 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000305197256 444264543 /nfs/dbraw/zinc/26/45/43/444264543.db2.gz UMAYKWWVIDJZDW-QZTJIDSGSA-N 0 3 349.431 1.815 20 5 EDBDHN COC(=O)CC[C@H](N)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000290033548 444233506 /nfs/dbraw/zinc/23/35/06/444233506.db2.gz UGUXTCSPRFTYFG-NSHDSACASA-N 0 3 347.331 1.204 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NCc2c[nH]c3nccnc23)cc1 ZINC000290827409 444327324 /nfs/dbraw/zinc/32/73/24/444327324.db2.gz HODHABNCTDGMCR-ZFWWWQNUSA-N 0 3 343.343 1.050 20 5 EDBDHN CCN1CC[C@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000338735478 444828689 /nfs/dbraw/zinc/82/86/89/444828689.db2.gz YOWJJMXCTNGQNO-VXGBXAGGSA-N 0 3 349.416 1.899 20 5 EDBDHN C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339036795 445000432 /nfs/dbraw/zinc/00/04/32/445000432.db2.gz QLDBGNZLVYZMFF-CYBMUJFWSA-N 0 3 337.420 1.825 20 5 EDBDHN CC(C)N(CCN1CCCCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000345914710 445202314 /nfs/dbraw/zinc/20/23/14/445202314.db2.gz UKSFIZQLUJPLAR-UHFFFAOYSA-N 0 3 337.424 1.904 20 5 EDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C(=O)N1CCCC1 ZINC000343499143 445234505 /nfs/dbraw/zinc/23/45/05/445234505.db2.gz HKJVBJGMJGCFHX-OLZOCXBDSA-N 0 3 348.403 1.912 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000354495319 445262491 /nfs/dbraw/zinc/26/24/91/445262491.db2.gz ULKDAPPINDYIIG-UHFFFAOYSA-N 0 3 348.403 1.650 20 5 EDBDHN COc1cc(C(=O)N(C)CCN2CCCC2)cc([N+](=O)[O-])c1OC ZINC000357128784 445443040 /nfs/dbraw/zinc/44/30/40/445443040.db2.gz GWLVWKDTQBRXOA-UHFFFAOYSA-N 0 3 337.376 1.780 20 5 EDBDHN C[C@H]1[C@H](N(C)CCO)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356047994 445590089 /nfs/dbraw/zinc/59/00/89/445590089.db2.gz OVFODMOMJZTSPL-SMDDNHRTSA-N 0 3 346.387 1.603 20 5 EDBDHN Cc1c(CNC(=O)C(=O)N(C)CCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000360287906 445678229 /nfs/dbraw/zinc/67/82/29/445678229.db2.gz YQPZSRTUXKNDHD-UHFFFAOYSA-N 0 3 348.403 1.072 20 5 EDBDHN CC(C)[C@H]1CC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000353623814 445680464 /nfs/dbraw/zinc/68/04/64/445680464.db2.gz SCBVMHSHFRHMPR-CHWSQXEVSA-N 0 3 341.433 1.897 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CN(C)C(C)C ZINC000349801262 445682458 /nfs/dbraw/zinc/68/24/58/445682458.db2.gz OASGHMDSAFMVMS-GFCCVEGCSA-N 0 3 329.422 1.910 20 5 EDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363325931 445766921 /nfs/dbraw/zinc/76/69/21/445766921.db2.gz MTWCKUFZVKCPNS-ZIAGYGMSSA-N 0 3 349.387 1.343 20 5 EDBDHN CCO[C@@H]1COCC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000362030303 446167474 /nfs/dbraw/zinc/16/74/74/446167474.db2.gz VXVWEDFXPHPABH-HRCADAONSA-N 0 3 349.387 1.484 20 5 EDBDHN CN1CCC[C@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000365339695 446157115 /nfs/dbraw/zinc/15/71/15/446157115.db2.gz MHKIBFPVPPAQLS-INIZCTEOSA-N 0 3 332.404 1.447 20 5 EDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000374254906 446359324 /nfs/dbraw/zinc/35/93/24/446359324.db2.gz GLAXCKMFIDFGCW-AWEZNQCLSA-N 0 3 333.436 1.903 20 5 EDBDHN CC(=O)c1cc(N2CCCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000376220314 446388095 /nfs/dbraw/zinc/38/80/95/446388095.db2.gz QCPZFFYKDCPNLU-UHFFFAOYSA-N 0 3 334.420 1.871 20 5 EDBDHN CCOC(=O)c1ccnc(N2CC[C@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000375049782 446544820 /nfs/dbraw/zinc/54/48/20/446544820.db2.gz OVDSNZLWSPBKDR-DGCLKSJQSA-N 0 3 334.376 1.697 20 5 EDBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCSC1 ZINC000433207768 446546789 /nfs/dbraw/zinc/54/67/89/446546789.db2.gz SEFJYXFKMWYTAF-AWEZNQCLSA-N 0 3 341.433 1.601 20 5 EDBDHN C[C@H](CO)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000367451677 446548901 /nfs/dbraw/zinc/54/89/01/446548901.db2.gz SHMBZZRIPSRVAK-LLVKDONJSA-N 0 3 347.375 1.137 20 5 EDBDHN C[C@@H](C[S@@](C)=O)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411511327 446578406 /nfs/dbraw/zinc/57/84/06/446578406.db2.gz IVDLXNAGRXSQMD-KPWVOAKYSA-N 0 3 327.406 1.622 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423619347 446609118 /nfs/dbraw/zinc/60/91/18/446609118.db2.gz VERGBHMWGLSVGZ-WDEREUQCSA-N 0 3 335.360 1.594 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)C[C@H](C)C1 ZINC000412044956 446809502 /nfs/dbraw/zinc/80/95/02/446809502.db2.gz XOMYURFDEBQHTC-WCQYABFASA-N 0 3 337.376 1.635 20 5 EDBDHN C[C@@H]1[C@@H](CO)CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000412067533 446828772 /nfs/dbraw/zinc/82/87/72/446828772.db2.gz DTXSBARSWLRTPT-CHWSQXEVSA-N 0 3 349.387 1.986 20 5 EDBDHN Cc1c(NC(=O)NC[C@H]2CCCCN2CCO)cccc1[N+](=O)[O-] ZINC000454193883 446803616 /nfs/dbraw/zinc/80/36/16/446803616.db2.gz FFZFFOXJNJITSB-CYBMUJFWSA-N 0 3 336.392 1.872 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCN(CC3CCC3)CC2)n1 ZINC000412320829 446932888 /nfs/dbraw/zinc/93/28/88/446932888.db2.gz XGHRVZCXZWTSDQ-UHFFFAOYSA-N 0 3 335.408 1.759 20 5 EDBDHN CN(CCCN1CCN(C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444666959 447116302 /nfs/dbraw/zinc/11/63/02/447116302.db2.gz UAOLOTNXWNAZOJ-UHFFFAOYSA-N 0 3 346.435 1.540 20 5 EDBDHN CCN1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@@H]1C ZINC000455742167 447218557 /nfs/dbraw/zinc/21/85/57/447218557.db2.gz YHPSMGMBZBLSMB-NWDGAFQWSA-N 0 3 335.408 1.976 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N(C)C[C@@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000421707713 447228564 /nfs/dbraw/zinc/22/85/64/447228564.db2.gz YFVLHPHTIYYTLV-AWEZNQCLSA-N 0 3 349.387 1.938 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCN1CCC(O)CC1 ZINC000421767481 447244059 /nfs/dbraw/zinc/24/40/59/447244059.db2.gz AVDXOAZYZAVMPT-UHFFFAOYSA-N 0 3 335.404 1.788 20 5 EDBDHN Cc1nc(N2CCN(C3CCN(C)CC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450421384 447485366 /nfs/dbraw/zinc/48/53/66/447485366.db2.gz SOFFXUVEUDXXPQ-GFCCVEGCSA-N 0 3 334.424 1.298 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426941988 447519591 /nfs/dbraw/zinc/51/95/91/447519591.db2.gz GZZSWVQPVWATRR-CYBMUJFWSA-N 0 3 337.376 1.444 20 5 EDBDHN CC(COC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[N+](=O)[O-] ZINC000495946663 447666275 /nfs/dbraw/zinc/66/62/75/447666275.db2.gz CZZUNUQZGWOAPI-QWRGUYRKSA-N 0 3 332.353 1.221 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC2CC(O)C2)cc1 ZINC000575748143 447889571 /nfs/dbraw/zinc/88/95/71/447889571.db2.gz CODFVDVZKJKXFH-UHFFFAOYSA-N 0 3 328.390 1.119 20 5 EDBDHN CN(C[C@H](O)CNCc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000496928815 448045830 /nfs/dbraw/zinc/04/58/30/448045830.db2.gz WUKLUJXMQIGGSQ-CQSZACIVSA-N 0 3 339.392 1.912 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@@H]2C2(O)CC2)c1 ZINC000571381317 448144266 /nfs/dbraw/zinc/14/42/66/448144266.db2.gz BHWUMNNEYYRCNF-GOEBONIOSA-N 0 3 336.388 1.714 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531823634 448153081 /nfs/dbraw/zinc/15/30/81/448153081.db2.gz KJKSTQQFXCUAPP-JOYOIKCWSA-N 0 3 333.344 1.536 20 5 EDBDHN C[C@H]1CCN(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000533097878 448356998 /nfs/dbraw/zinc/35/69/98/448356998.db2.gz MLUBGRUKRJPHBN-LBPRGKRZSA-N 0 3 327.406 1.356 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000516856712 448483185 /nfs/dbraw/zinc/48/31/85/448483185.db2.gz BBKOYLAVQVUAGQ-JSGCOSHPSA-N 0 3 335.408 1.249 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCN1 ZINC000592241940 448759673 /nfs/dbraw/zinc/75/96/73/448759673.db2.gz MASAHVBPFYJLRC-MRXNPFEDSA-N 0 3 343.387 1.851 20 5 EDBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000592432742 448834160 /nfs/dbraw/zinc/83/41/60/448834160.db2.gz UQTMGESNWONIIJ-GJZGRUSLSA-N 0 3 344.433 1.754 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592523815 448877458 /nfs/dbraw/zinc/87/74/58/448877458.db2.gz QXCPHTPAKZRXRP-LLVKDONJSA-N 0 3 340.811 1.800 20 5 EDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000588814228 448933797 /nfs/dbraw/zinc/93/37/97/448933797.db2.gz UUDXPABACQXJFG-AWEZNQCLSA-N 0 3 337.424 1.811 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CO)C2CCC2)cc1 ZINC000595616380 449082076 /nfs/dbraw/zinc/08/20/76/449082076.db2.gz NDNCWKPEJVVGER-AWEZNQCLSA-N 0 3 328.390 1.119 20 5 EDBDHN C[C@@H](CS(C)(=O)=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575213858 449063115 /nfs/dbraw/zinc/06/31/15/449063115.db2.gz NTKZCQCYGVVJAP-JTQLQIEISA-N 0 3 325.390 1.641 20 5 EDBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593609210 449106496 /nfs/dbraw/zinc/10/64/96/449106496.db2.gz RWLYLAADEKLTRR-UHFFFAOYSA-N 0 3 342.421 1.485 20 5 EDBDHN CCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597944979 449154098 /nfs/dbraw/zinc/15/40/98/449154098.db2.gz FRIWYDODASOIEB-WFASDCNBSA-N 0 3 348.403 1.266 20 5 EDBDHN C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](C)C1O ZINC000595737460 449140011 /nfs/dbraw/zinc/14/00/11/449140011.db2.gz CMEFWUPLPQNLDU-RYUDHWBXSA-N 0 3 349.387 1.842 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)c1C ZINC000590589871 449204863 /nfs/dbraw/zinc/20/48/63/449204863.db2.gz RUCBWKMKKGKVBA-OLZOCXBDSA-N 0 3 341.433 1.925 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000590590592 449206185 /nfs/dbraw/zinc/20/61/85/449206185.db2.gz ZNIDLESFDXAXHM-ZYHUDNBSSA-N 0 3 343.405 1.317 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)c1C ZINC000590590602 449206476 /nfs/dbraw/zinc/20/64/76/449206476.db2.gz ZRFLXFGRRGJTGF-JSGCOSHPSA-N 0 3 341.433 1.925 20 5 EDBDHN CNc1nccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230284 449256074 /nfs/dbraw/zinc/25/60/74/449256074.db2.gz QAYWDCUPIHCPDV-ZDUSSCGKSA-N 0 3 347.419 2.168 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN[C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000602002850 449271328 /nfs/dbraw/zinc/27/13/28/449271328.db2.gz BMYJRYGDLFAERG-LBPRGKRZSA-N 0 3 328.390 1.531 20 5 EDBDHN CN([C@@H](CN)C(F)(F)F)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000596050061 449337304 /nfs/dbraw/zinc/33/73/04/449337304.db2.gz HXPVLOWJFOXAKJ-VIFPVBQESA-N 0 3 327.284 1.105 20 5 EDBDHN CN1CCN(CCCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611700988 449388480 /nfs/dbraw/zinc/38/84/80/449388480.db2.gz LOPYLRVOKZHWBY-UHFFFAOYSA-N 0 3 344.419 1.978 20 5 EDBDHN O=C1[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000600761272 449537536 /nfs/dbraw/zinc/53/75/36/449537536.db2.gz ODENTGIWKIFQJZ-ZBFHGGJFSA-N 0 3 349.387 1.078 20 5 EDBDHN NC[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F ZINC000594525974 449562131 /nfs/dbraw/zinc/56/21/31/449562131.db2.gz ZGHIRVHKLJGYEX-SECBINFHSA-N 0 3 346.269 1.160 20 5 EDBDHN CC(C)(CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000602474805 449619399 /nfs/dbraw/zinc/61/93/99/449619399.db2.gz SHAHKDDHISWDCB-CQSZACIVSA-N 0 3 349.435 1.587 20 5 EDBDHN CC[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598905515 449641492 /nfs/dbraw/zinc/64/14/92/449641492.db2.gz FUZKTXDQIUQEJO-NWDGAFQWSA-N 0 3 349.391 1.315 20 5 EDBDHN Cn1nccc1[C@H](CO)N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599055107 449711557 /nfs/dbraw/zinc/71/15/57/449711557.db2.gz NBULNCZJVGIPRL-OBJOEFQTSA-N 0 3 334.380 1.332 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[NH2+]C12CCC2 ZINC000599108494 449740982 /nfs/dbraw/zinc/74/09/82/449740982.db2.gz UCGCTZSLHFPQBP-LBPRGKRZSA-N 0 3 345.808 1.811 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000602810450 449825401 /nfs/dbraw/zinc/82/54/01/449825401.db2.gz FVZGOPGXIVPOHH-SNVBAGLBSA-N 0 3 349.313 1.100 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)cc1C ZINC000601421341 449938380 /nfs/dbraw/zinc/93/83/80/449938380.db2.gz FFJQIZQDUVXIHT-QWHCGFSZSA-N 0 3 341.433 1.925 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCC(CCO)(CCO)CC2)cc1 ZINC000602966978 449970173 /nfs/dbraw/zinc/97/01/73/449970173.db2.gz YGNXHBNCLRQIED-UHFFFAOYSA-N 0 3 338.404 1.821 20 5 EDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595258712 449981781 /nfs/dbraw/zinc/98/17/81/449981781.db2.gz WDGHPPNRSZXLOR-OAHLLOKOSA-N 0 3 330.344 1.847 20 5 EDBDHN COC(=O)[C@@]1(OC)CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000599565043 450064061 /nfs/dbraw/zinc/06/40/61/450064061.db2.gz YFLGWFJZSSXYDJ-MRXNPFEDSA-N 0 3 338.360 1.628 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000597585177 450128062 /nfs/dbraw/zinc/12/80/62/450128062.db2.gz HSVROVHNHGMCQG-KRWDZBQOSA-N 0 3 335.404 1.740 20 5 EDBDHN CN(C)[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H]1O ZINC000601591370 450097785 /nfs/dbraw/zinc/09/77/85/450097785.db2.gz IJQHRKQXDOEGKF-GJZGRUSLSA-N 0 3 333.388 1.150 20 5 EDBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599625721 450111490 /nfs/dbraw/zinc/11/14/90/450111490.db2.gz NBIXJIJBGRFMRG-UZTWBRENSA-N 0 3 333.388 1.885 20 5 EDBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC1CCN([C@@H]2CCOC2)CC1 ZINC000595447581 450148298 /nfs/dbraw/zinc/14/82/98/450148298.db2.gz NUGQUMVJDDXXDL-OAHLLOKOSA-N 0 3 348.403 1.647 20 5 EDBDHN C[C@@H]1CN(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@@H](C)O1 ZINC000595481077 450173357 /nfs/dbraw/zinc/17/33/57/450173357.db2.gz NVNBXJAZDKPONG-ZIAGYGMSSA-N 0 3 337.424 1.537 20 5 EDBDHN CCN1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000595536387 450215049 /nfs/dbraw/zinc/21/50/49/450215049.db2.gz REUOCTTYTNVRMC-CQSZACIVSA-N 0 3 346.431 1.900 20 5 EDBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000597716263 450217502 /nfs/dbraw/zinc/21/75/02/450217502.db2.gz QIGJJKAZYDGYLN-KRWDZBQOSA-N 0 3 347.371 1.881 20 5 EDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[C@H](C)N1C ZINC000619581415 450512087 /nfs/dbraw/zinc/51/20/87/450512087.db2.gz DCZBJZQZBWCAAO-ZOWXZIJZSA-N 0 3 348.403 1.312 20 5 EDBDHN N[C@H]1C[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O ZINC000579252682 518197818 /nfs/dbraw/zinc/19/78/18/518197818.db2.gz AHMNVTQQINTNLN-UWVGGRQHSA-N 0 3 344.293 1.362 20 5 EDBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248752414 536473570 /nfs/dbraw/zinc/47/35/70/536473570.db2.gz VDKSZPNNVYDETC-SWLSCSKDSA-N 0 3 339.417 1.700 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184403605 529148107 /nfs/dbraw/zinc/14/81/07/529148107.db2.gz HZAPAXWRFOQRBJ-CYBMUJFWSA-N 0 3 349.435 1.180 20 5 EDBDHN COCCCN(C)CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000741503938 579420231 /nfs/dbraw/zinc/42/02/31/579420231.db2.gz ZDZMYPBFVFXJGR-UHFFFAOYSA-N 0 3 326.422 1.850 20 5 EDBDHN C[NH+](C)C1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOCC1 ZINC000736755666 579017006 /nfs/dbraw/zinc/01/70/06/579017006.db2.gz CQWACSKALVRYPP-UHFFFAOYSA-N 0 3 347.379 1.298 20 5 EDBDHN C[NH+](C)C1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOCC1 ZINC000736755666 579017007 /nfs/dbraw/zinc/01/70/07/579017007.db2.gz CQWACSKALVRYPP-UHFFFAOYSA-N 0 3 347.379 1.298 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H](O)COc2ccccc2)c1 ZINC000749671466 579734265 /nfs/dbraw/zinc/73/42/65/579734265.db2.gz PDVKADIZPNXLGI-NVXWUHKLSA-N 0 3 332.356 1.658 20 5 EDBDHN CC(=O)OC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000753186834 579874436 /nfs/dbraw/zinc/87/44/36/579874436.db2.gz DZSSHIBTAPJJNH-CQSZACIVSA-N 0 3 338.360 1.362 20 5 EDBDHN O=C(CN[C@H](CCO)C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771801366 580294439 /nfs/dbraw/zinc/29/44/39/580294439.db2.gz ISFXVFYCSZVNAQ-LLVKDONJSA-N 0 3 327.768 1.937 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000776578565 580421974 /nfs/dbraw/zinc/42/19/74/580421974.db2.gz GKTCFTHPCNSSII-MSOLQXFVSA-N 0 3 349.431 1.815 20 5 EDBDHN O=C([C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000776581684 580422101 /nfs/dbraw/zinc/42/21/01/580422101.db2.gz HINRAVDKMJONJQ-NVXWUHKLSA-N 0 3 347.415 1.963 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000776587431 580422609 /nfs/dbraw/zinc/42/26/09/580422609.db2.gz GHEXKXSWOXDTLJ-ZWKOTPCHSA-N 0 3 349.431 1.815 20 5 EDBDHN COC[C@](C)(CC(=O)OC)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591520 580423039 /nfs/dbraw/zinc/42/30/39/580423039.db2.gz OEZKDDPFVRUCGA-HIFRSBDPSA-N 0 3 326.349 1.186 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1CN(C2CCOCC2)C1 ZINC000897726593 591637484 /nfs/dbraw/zinc/63/74/84/591637484.db2.gz UOPXHKSGQKDEAM-UHFFFAOYSA-N 0 3 347.415 1.707 20 5 EDBDHN C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000897053922 591724699 /nfs/dbraw/zinc/72/46/99/591724699.db2.gz CVDQLOUNFIKKNL-HZSPNIEDSA-N 0 3 348.403 1.159 20 5 EDBDHN CN1CCN(C)CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000897095430 591737481 /nfs/dbraw/zinc/73/74/81/591737481.db2.gz SSQSCCJTLGBDMC-UHFFFAOYSA-N 0 3 329.404 1.827 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000898067640 591772424 /nfs/dbraw/zinc/77/24/24/591772424.db2.gz HZHMKXRFELACFH-INIZCTEOSA-N 0 3 341.383 1.485 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H]4[C@H]3CCCN4CCO)nc2c1 ZINC000897220643 591775712 /nfs/dbraw/zinc/77/57/12/591775712.db2.gz CRQCWSOTOMQSLS-HUUCEWRRSA-N 0 3 331.376 1.507 20 5 EDBDHN COc1cc(N2CC[C@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])cc1F ZINC000897221792 591776156 /nfs/dbraw/zinc/77/61/56/591776156.db2.gz OTSZFBHUCAJYLP-STQMWFEESA-N 0 3 339.367 1.778 20 5 EDBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)CCO ZINC000899736595 591925641 /nfs/dbraw/zinc/92/56/41/591925641.db2.gz LZUFLHQQNFLJLI-UHFFFAOYSA-N 0 3 341.433 1.749 20 5 EDBDHN CN(CCO)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000899734341 591929616 /nfs/dbraw/zinc/92/96/16/591929616.db2.gz AXRCJVINRXPTCW-UHFFFAOYSA-N 0 3 335.282 1.268 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000907385956 592621129 /nfs/dbraw/zinc/62/11/29/592621129.db2.gz ABPPJTDACQOVIR-OAHLLOKOSA-N 0 3 341.795 1.364 20 5 EDBDHN CC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736568993 593018010 /nfs/dbraw/zinc/01/80/10/593018010.db2.gz GYKFCBRIYLLPJE-SNVBAGLBSA-N 0 3 332.368 1.456 20 5 EDBDHN CC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736568993 593018012 /nfs/dbraw/zinc/01/80/12/593018012.db2.gz GYKFCBRIYLLPJE-SNVBAGLBSA-N 0 3 332.368 1.456 20 5 EDBDHN CC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736568993 593018013 /nfs/dbraw/zinc/01/80/13/593018013.db2.gz GYKFCBRIYLLPJE-SNVBAGLBSA-N 0 3 332.368 1.456 20 5 EDBDHN CC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736568993 593018015 /nfs/dbraw/zinc/01/80/15/593018015.db2.gz GYKFCBRIYLLPJE-SNVBAGLBSA-N 0 3 332.368 1.456 20 5 EDBDHN CCN(CC)Cc1ccc(C(=O)OCCn2cnc([N+](=O)[O-])n2)cc1 ZINC000805893236 593160263 /nfs/dbraw/zinc/16/02/63/593160263.db2.gz SAUJHCMLWMBQTB-UHFFFAOYSA-N 0 3 347.375 1.885 20 5 EDBDHN CN1CCC(ONC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000808024378 593216885 /nfs/dbraw/zinc/21/68/85/593216885.db2.gz JBGASZLEFCFEQJ-UHFFFAOYSA-N 0 3 337.361 1.355 20 5 EDBDHN CCOc1ccccc1N1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813103123 593517481 /nfs/dbraw/zinc/51/74/81/593517481.db2.gz OEYIFLVGFXQXHR-NEPJUHHUSA-N 0 3 336.344 1.647 20 5 EDBDHN CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106905 593518309 /nfs/dbraw/zinc/51/83/09/593518309.db2.gz HTLCBEVGCGNAFQ-QMMMGPOBSA-N 0 3 335.765 1.956 20 5 EDBDHN CC(C)Cn1nc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc2c1=O ZINC000813114638 593518806 /nfs/dbraw/zinc/51/88/06/593518806.db2.gz VBIVWNWWZHAKHX-NSHDSACASA-N 0 3 333.344 1.875 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000818290940 593690161 /nfs/dbraw/zinc/69/01/61/593690161.db2.gz HRPYVOBUHYFXFH-WCQYABFASA-N 0 3 349.778 1.549 20 5 EDBDHN CO[C@@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000819070177 593737300 /nfs/dbraw/zinc/73/73/00/593737300.db2.gz TWPLISWEZIDMPD-JQWIXIFHSA-N 0 3 338.282 1.501 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2COC3(CCOCC3)O2)c1 ZINC000819215094 593744581 /nfs/dbraw/zinc/74/45/81/593744581.db2.gz GPACMEVDBZVHBK-LSDHHAIUSA-N 0 3 338.360 1.140 20 5 EDBDHN C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821581648 593868072 /nfs/dbraw/zinc/86/80/72/593868072.db2.gz RKFNGNRIGPEDJI-VHSXEESVSA-N 0 3 332.368 1.455 20 5 EDBDHN C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821581648 593868076 /nfs/dbraw/zinc/86/80/76/593868076.db2.gz RKFNGNRIGPEDJI-VHSXEESVSA-N 0 3 332.368 1.455 20 5 EDBDHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821598981 593875529 /nfs/dbraw/zinc/87/55/29/593875529.db2.gz ATSDNSOACCGONS-NSHDSACASA-N 0 3 346.395 1.481 20 5 EDBDHN CN(CC[C@@H]1CCCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821598981 593875531 /nfs/dbraw/zinc/87/55/31/593875531.db2.gz ATSDNSOACCGONS-NSHDSACASA-N 0 3 346.395 1.481 20 5 EDBDHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821598981 593875532 /nfs/dbraw/zinc/87/55/32/593875532.db2.gz ATSDNSOACCGONS-NSHDSACASA-N 0 3 346.395 1.481 20 5 EDBDHN CN(CC[C@@H]1CCCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821598981 593875534 /nfs/dbraw/zinc/87/55/34/593875534.db2.gz ATSDNSOACCGONS-NSHDSACASA-N 0 3 346.395 1.481 20 5 EDBDHN CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820752145 593880675 /nfs/dbraw/zinc/88/06/75/593880675.db2.gz KXIZUDGOWWDNKA-QMTHXVAHSA-N 0 3 331.380 1.916 20 5 EDBDHN CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820752145 593880677 /nfs/dbraw/zinc/88/06/77/593880677.db2.gz KXIZUDGOWWDNKA-QMTHXVAHSA-N 0 3 331.380 1.916 20 5 EDBDHN CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820752145 593880679 /nfs/dbraw/zinc/88/06/79/593880679.db2.gz KXIZUDGOWWDNKA-QMTHXVAHSA-N 0 3 331.380 1.916 20 5 EDBDHN CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820752145 593880680 /nfs/dbraw/zinc/88/06/80/593880680.db2.gz KXIZUDGOWWDNKA-QMTHXVAHSA-N 0 3 331.380 1.916 20 5 EDBDHN C[N@@H+]1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC[C@H]21 ZINC000821625963 593887272 /nfs/dbraw/zinc/88/72/72/593887272.db2.gz ZJAZJLDUKNCQGG-CHWSQXEVSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC[C@H]21 ZINC000821625963 593887273 /nfs/dbraw/zinc/88/72/73/593887273.db2.gz ZJAZJLDUKNCQGG-CHWSQXEVSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@@H+]1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC[C@H]21 ZINC000821625963 593887275 /nfs/dbraw/zinc/88/72/75/593887275.db2.gz ZJAZJLDUKNCQGG-CHWSQXEVSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC[C@H]21 ZINC000821625963 593887277 /nfs/dbraw/zinc/88/72/77/593887277.db2.gz ZJAZJLDUKNCQGG-CHWSQXEVSA-N 0 3 343.391 1.695 20 5 EDBDHN COC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821679741 593909522 /nfs/dbraw/zinc/90/95/22/593909522.db2.gz KZHORQQEQYRHBV-UHFFFAOYSA-N 0 3 347.379 1.298 20 5 EDBDHN CCC[N@H+](C)C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000821088101 593962952 /nfs/dbraw/zinc/96/29/52/593962952.db2.gz JPHQWBZQXMWROA-LBPRGKRZSA-N 0 3 345.407 1.943 20 5 EDBDHN CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000821088101 593962956 /nfs/dbraw/zinc/96/29/56/593962956.db2.gz JPHQWBZQXMWROA-LBPRGKRZSA-N 0 3 345.407 1.943 20 5 EDBDHN CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821109987 593968081 /nfs/dbraw/zinc/96/80/81/593968081.db2.gz VGASXPJINLWBEJ-UHFFFAOYSA-N 0 3 332.368 1.456 20 5 EDBDHN CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821109987 593968083 /nfs/dbraw/zinc/96/80/83/593968083.db2.gz VGASXPJINLWBEJ-UHFFFAOYSA-N 0 3 332.368 1.456 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(CN)cc2F)no1 ZINC000822900849 594119459 /nfs/dbraw/zinc/11/94/59/594119459.db2.gz KVCKWLULRPKJGT-UHFFFAOYSA-N 0 3 346.322 1.990 20 5 EDBDHN CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000825451241 594187064 /nfs/dbraw/zinc/18/70/64/594187064.db2.gz HMXUAPIPOROPMD-MNOVXSKESA-N 0 3 331.380 1.694 20 5 EDBDHN CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000825451241 594187065 /nfs/dbraw/zinc/18/70/65/594187065.db2.gz HMXUAPIPOROPMD-MNOVXSKESA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000826677515 594553186 /nfs/dbraw/zinc/55/31/86/594553186.db2.gz NAQCERAYHPWCBO-SNVBAGLBSA-N 0 3 349.416 1.761 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1 ZINC000831599048 594686565 /nfs/dbraw/zinc/68/65/65/594686565.db2.gz JKVLMAZZXJFSMO-CQSZACIVSA-N 0 3 331.376 1.401 20 5 EDBDHN CCOc1ccc(C(=O)NC[C@@H](CN(C)C)OCC)cc1[N+](=O)[O-] ZINC000831771149 594701415 /nfs/dbraw/zinc/70/14/15/594701415.db2.gz JDBRNJSFXPZYKK-ZDUSSCGKSA-N 0 3 339.392 1.690 20 5 EDBDHN C[C@@H]1C[C@H](O)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000832718219 594771581 /nfs/dbraw/zinc/77/15/81/594771581.db2.gz RWOAERDATMBHEY-PWSUYJOCSA-N 0 3 325.340 1.765 20 5 EDBDHN CC(C)N1CC[C@H](N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000837186503 595052923 /nfs/dbraw/zinc/05/29/23/595052923.db2.gz RNPZDQVQEJZUSJ-AWEZNQCLSA-N 0 3 349.387 1.727 20 5 EDBDHN CCCC(=O)NCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845880538 595087208 /nfs/dbraw/zinc/08/72/08/595087208.db2.gz ZYNWRNPYTFTSQT-MEBBXXQBSA-N 0 3 326.324 1.992 20 5 EDBDHN CC([C@H](OC(=O)CCc1cnn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845883257 595087637 /nfs/dbraw/zinc/08/76/37/595087637.db2.gz REOMFPCSKAPTQZ-BMIGLBTASA-N 0 3 336.323 1.837 20 5 EDBDHN COc1cccc([C@@H](O)CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843067645 595280002 /nfs/dbraw/zinc/28/00/02/595280002.db2.gz GZVWLUUIAXPMDE-SJORKVTESA-N 0 3 332.356 1.960 20 5 EDBDHN CN(C[C@@H]1CCCN1C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490274 595394556 /nfs/dbraw/zinc/39/45/56/595394556.db2.gz YITQRSBDYWBDJW-IRXDYDNUSA-N 0 3 346.431 1.894 20 5 EDBDHN C[N@H+](CC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000848582685 595408935 /nfs/dbraw/zinc/40/89/35/595408935.db2.gz PEFYWQWBNRXMJN-UHFFFAOYSA-N 0 3 329.303 1.777 20 5 EDBDHN C[N@@H+](CC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000848582685 595408937 /nfs/dbraw/zinc/40/89/37/595408937.db2.gz PEFYWQWBNRXMJN-UHFFFAOYSA-N 0 3 329.303 1.777 20 5 EDBDHN CC(COC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000845575246 595521141 /nfs/dbraw/zinc/52/11/41/595521141.db2.gz GPQIRPSLERQTDS-BNOWGMLFSA-N 0 3 336.344 1.900 20 5 EDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCc2nccc(N)c2C1 ZINC000857899837 595648308 /nfs/dbraw/zinc/64/83/08/595648308.db2.gz QMRLVLNXJZOTQA-UHFFFAOYSA-N 0 3 348.384 1.538 20 5 EDBDHN CN(C)[C@H]1CCc2ccccc2N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000857931778 595656723 /nfs/dbraw/zinc/65/67/23/595656723.db2.gz ZCSLHQRIGXHSPR-ZDUSSCGKSA-N 0 3 344.375 1.096 20 5 EDBDHN O=C1CCCN1C[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852680025 596226607 /nfs/dbraw/zinc/22/66/07/596226607.db2.gz JLLKRIJYWBVNFL-XJKSGUPXSA-N 0 3 333.388 1.573 20 5 EDBDHN CN1CC[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000867815007 596566323 /nfs/dbraw/zinc/56/63/23/596566323.db2.gz WPVOAEVHGUVOEJ-UKRRQHHQSA-N 0 3 339.417 1.451 20 5 EDBDHN O=[N+]([O-])c1ccc2nccc(NC[C@@H]3CN4CCC[C@H]4CO3)c2c1 ZINC000865484766 596588153 /nfs/dbraw/zinc/58/81/53/596588153.db2.gz ISILLXAVMVEBGI-UONOGXRCSA-N 0 3 328.372 1.840 20 5 EDBDHN COC(C)(C)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000872227045 596844572 /nfs/dbraw/zinc/84/45/72/596844572.db2.gz YVXCZZJSWNPRJS-UHFFFAOYSA-N 0 3 330.406 1.773 20 5 EDBDHN COc1cc(OCC(=O)N2CC[C@H]3[C@@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874841878 597194469 /nfs/dbraw/zinc/19/44/69/597194469.db2.gz FIIPTVLYGLWMBM-KBPBESRZSA-N 0 3 349.387 1.677 20 5 EDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000877451243 597517290 /nfs/dbraw/zinc/51/72/90/597517290.db2.gz KUDAIUSQMDXKCA-UXLLHSPISA-N 0 3 332.404 1.464 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CCNCCC23CCC3)cc1[N+](=O)[O-] ZINC000883477690 597766886 /nfs/dbraw/zinc/76/68/86/597766886.db2.gz LAGWBPZPNLZOAS-UHFFFAOYSA-N 0 3 339.417 1.810 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000915621023 695957837 /nfs/dbraw/zinc/95/78/37/695957837.db2.gz GRACSVDUULQTLN-OAHLLOKOSA-N 0 3 348.403 1.671 20 5 EDBDHN COc1cc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccc1C ZINC001031662923 697440079 /nfs/dbraw/zinc/44/00/79/697440079.db2.gz OXZXSPPYKNFCCS-HUUCEWRRSA-N 0 3 333.388 1.217 20 5 EDBDHN CCN1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000060452648 214637534 /nfs/dbraw/zinc/63/75/34/214637534.db2.gz UPPLFKKZBUNUKB-SNVBAGLBSA-N 0 3 328.394 1.138 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCN2C[C@@H](C)C[C@H](C)C2)c1 ZINC000568108752 306472458 /nfs/dbraw/zinc/47/24/58/306472458.db2.gz LTDPGVUBPNPFDN-RYUDHWBXSA-N 0 3 337.376 1.521 20 5 EDBDHN Cn1ccnc1[C@@H]1CNCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000261795885 139226739 /nfs/dbraw/zinc/22/67/39/139226739.db2.gz QWYRCCQACIMLIQ-HNNXBMFYSA-N 0 3 331.376 1.354 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCNC[C@H]1c1nccn1C ZINC000261836327 139230179 /nfs/dbraw/zinc/23/01/79/139230179.db2.gz WDCUILVZRRZXNY-AWEZNQCLSA-N 0 3 331.376 1.483 20 5 EDBDHN NC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCCC1 ZINC000261873885 139233133 /nfs/dbraw/zinc/23/31/33/139233133.db2.gz LSSLSJNIXURFMO-UHFFFAOYSA-N 0 3 332.404 1.905 20 5 EDBDHN C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)N(C)C ZINC000187186809 533067793 /nfs/dbraw/zinc/06/77/93/533067793.db2.gz GKZHOLYZFHVRRW-CXAGYDPISA-N 0 3 345.403 1.989 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](c3ccccc3)[C@@H](CO)C2)n1 ZINC000367530709 285167855 /nfs/dbraw/zinc/16/78/55/285167855.db2.gz HWHXYSVUUGGVHE-CVEARBPZSA-N 0 3 330.388 1.889 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000488763187 255053768 /nfs/dbraw/zinc/05/37/68/255053768.db2.gz QGIJDBYUJMLOLU-SLEUVZQESA-N 0 3 348.403 1.943 20 5 EDBDHN C[C@@H]1C[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000495041504 255266476 /nfs/dbraw/zinc/26/64/76/255266476.db2.gz FHSWXQBSEFEXEU-IJLUTSLNSA-N 0 3 327.406 1.507 20 5 EDBDHN C[C@@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000117035540 221024832 /nfs/dbraw/zinc/02/48/32/221024832.db2.gz QLOBGDGLWGRHTL-IUODEOHRSA-N 0 3 336.392 1.628 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000118130623 221128475 /nfs/dbraw/zinc/12/84/75/221128475.db2.gz RRTDQTBBGUFVJG-NSHDSACASA-N 0 3 334.376 1.441 20 5 EDBDHN Cn1cccc1CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000119306900 221290058 /nfs/dbraw/zinc/29/00/58/221290058.db2.gz OSRHCUMWMHMAKR-UHFFFAOYSA-N 0 3 338.389 1.001 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CNCCC2(F)F)c1C ZINC000420453902 291994975 /nfs/dbraw/zinc/99/49/75/291994975.db2.gz XZRMXCQJSIGKTI-LBPRGKRZSA-N 0 3 349.359 1.487 20 5 EDBDHN COC(=O)c1cnc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488723505 292030326 /nfs/dbraw/zinc/03/03/26/292030326.db2.gz WPUYRSDVTSUYBD-OUCADQQQSA-N 0 3 348.403 1.943 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000270418812 140096675 /nfs/dbraw/zinc/09/66/75/140096675.db2.gz KOSZDHYIIQVNSA-CYBMUJFWSA-N 0 3 346.387 1.456 20 5 EDBDHN CCN1CC[C@@H]2OCCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000339382991 142032714 /nfs/dbraw/zinc/03/27/14/142032714.db2.gz UEHKCABWXIOCEI-CVEARBPZSA-N 0 3 345.403 1.766 20 5 EDBDHN CCN1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC)[C@@H]2C1 ZINC000339389229 142034310 /nfs/dbraw/zinc/03/43/10/142034310.db2.gz BGRYVDRODMRSFP-NVXWUHKLSA-N 0 3 335.404 1.898 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000340425022 142387951 /nfs/dbraw/zinc/38/79/51/142387951.db2.gz CEZFHSINAXTGLU-CYBMUJFWSA-N 0 3 335.404 1.661 20 5 EDBDHN Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c(OCCN(C)C)c1 ZINC000347534927 143332456 /nfs/dbraw/zinc/33/24/56/143332456.db2.gz ZZYPWVHTTBDMTL-UHFFFAOYSA-N 0 3 347.375 1.829 20 5 EDBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCN(C)C1=O ZINC000352659038 149105274 /nfs/dbraw/zinc/10/52/74/149105274.db2.gz HTOHCLORJAFTCZ-LBPRGKRZSA-N 0 3 348.359 1.055 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355363085 150235231 /nfs/dbraw/zinc/23/52/31/150235231.db2.gz FATDBMYWGXAJFH-HZPDHXFCSA-N 0 3 333.388 1.838 20 5 EDBDHN O=C(Nc1ccccn1)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000370003166 155276549 /nfs/dbraw/zinc/27/65/49/155276549.db2.gz XVKOECUKDARDFR-UHFFFAOYSA-N 0 3 344.375 1.537 20 5 EDBDHN CN1CCC(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000358005042 151231776 /nfs/dbraw/zinc/23/17/76/151231776.db2.gz PPOKIYLQHIEPDW-UHFFFAOYSA-N 0 3 334.376 1.593 20 5 EDBDHN CCN1CCN(CCC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000360525991 152081244 /nfs/dbraw/zinc/08/12/44/152081244.db2.gz COZFUUNRPVXCLS-UHFFFAOYSA-N 0 3 334.420 1.547 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCN3CCCOCC3)C2)nc1 ZINC000361314889 152360097 /nfs/dbraw/zinc/36/00/97/152360097.db2.gz SYCWIIJZGBHSEE-CQSZACIVSA-N 0 3 335.408 1.198 20 5 EDBDHN O=C(CCN1CCC(F)(F)[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000361403721 152384385 /nfs/dbraw/zinc/38/43/85/152384385.db2.gz PEXXUJCAWRFHRH-LLVKDONJSA-N 0 3 343.330 1.873 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363688485 153030419 /nfs/dbraw/zinc/03/04/19/153030419.db2.gz DNUXLHHXURLNGR-NEPJUHHUSA-N 0 3 339.779 1.841 20 5 EDBDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000363699463 153033250 /nfs/dbraw/zinc/03/32/50/153033250.db2.gz LCKRJQKFCAWSBK-GUYCJALGSA-N 0 3 347.371 1.469 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000364067434 153137336 /nfs/dbraw/zinc/13/73/36/153137336.db2.gz WUYILEWOUOCZCF-AWEZNQCLSA-N 0 3 339.417 1.762 20 5 EDBDHN C[C@@]1([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000364354726 153215003 /nfs/dbraw/zinc/21/50/03/153215003.db2.gz AHMADEBGYJZZQN-LRDDRELGSA-N 0 3 332.360 1.405 20 5 EDBDHN Cc1nc(C)n(C[C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000367141490 154020975 /nfs/dbraw/zinc/02/09/75/154020975.db2.gz PNMZYLSMCREXHJ-CQSZACIVSA-N 0 3 346.391 1.129 20 5 EDBDHN COc1ccc([C@H](O)[C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000378249132 158119977 /nfs/dbraw/zinc/11/99/77/158119977.db2.gz OJIPWNVWTOOEGG-IRXDYDNUSA-N 0 3 346.387 1.998 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000365668168 162362616 /nfs/dbraw/zinc/36/26/16/162362616.db2.gz DNCWTJJZLWLZCE-CQSZACIVSA-N 0 3 333.388 1.886 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342949096 292478255 /nfs/dbraw/zinc/47/82/55/292478255.db2.gz MMMCIWOIKVIOOV-UHFFFAOYSA-N 0 3 334.376 1.726 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000078572494 287294305 /nfs/dbraw/zinc/29/43/05/287294305.db2.gz HAZPVTOXDKZSKT-GFCCVEGCSA-N 0 3 327.406 1.523 20 5 EDBDHN Cc1sc(S(=O)(=O)[N-]C[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000123239613 222241646 /nfs/dbraw/zinc/24/16/46/222241646.db2.gz WKZCUTVMCJNRFR-JTQLQIEISA-N 0 3 347.462 1.975 20 5 EDBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000123499224 222288037 /nfs/dbraw/zinc/28/80/37/222288037.db2.gz XTKGEKDGKBITHS-LLVKDONJSA-N 0 3 347.462 1.975 20 5 EDBDHN O=C(CCN1CCc2n[nH]c(=O)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000274998707 268260546 /nfs/dbraw/zinc/26/05/46/268260546.db2.gz PHLJWFFLMXVPBK-UHFFFAOYSA-N 0 3 343.343 1.065 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NCC2(N(C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000275687629 273120020 /nfs/dbraw/zinc/12/00/20/273120020.db2.gz AMOWQAUPVKQDLQ-UHFFFAOYSA-N 0 3 349.387 1.986 20 5 EDBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286151024 287947209 /nfs/dbraw/zinc/94/72/09/287947209.db2.gz NOXIBLKUPOLGMM-UHFFFAOYSA-N 0 3 329.360 1.712 20 5 EDBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000179716255 279282949 /nfs/dbraw/zinc/28/29/49/279282949.db2.gz PGDZRISVWZZDIO-GFCCVEGCSA-N 0 3 331.376 1.579 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000077851214 281017558 /nfs/dbraw/zinc/01/75/58/281017558.db2.gz WPLOYKQDFHZOPD-CYBMUJFWSA-N 0 3 348.403 1.832 20 5 EDBDHN COCC1(C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CCOCC1 ZINC000291693931 289152632 /nfs/dbraw/zinc/15/26/32/289152632.db2.gz JKGLULVUFIMKIM-UHFFFAOYSA-N 0 3 340.376 1.842 20 5 EDBDHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000337274329 295531519 /nfs/dbraw/zinc/53/15/19/295531519.db2.gz FJTIONLVCKEDDO-AAEUAGOBSA-N 0 3 327.406 1.402 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[NH2+]CC1(C)C ZINC000261837421 302050187 /nfs/dbraw/zinc/05/01/87/302050187.db2.gz ZIHPWFZCEYMVHU-LBPRGKRZSA-N 0 3 327.406 1.570 20 5 EDBDHN CC1(C)[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]2CCO[C@@H]21 ZINC000296049863 303292172 /nfs/dbraw/zinc/29/21/72/303292172.db2.gz FSFGGRRTAQSLBQ-XYPHTWIQSA-N 0 3 345.399 1.887 20 5 EDBDHN CS[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000330644124 303771983 /nfs/dbraw/zinc/77/19/83/303771983.db2.gz FIWNCTLVBHMLGP-NEPJUHHUSA-N 0 3 341.437 1.030 20 5 EDBDHN CCN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCNC1=O ZINC000440956335 305214707 /nfs/dbraw/zinc/21/47/07/305214707.db2.gz AZXNFULDHCMXSH-LBPRGKRZSA-N 0 3 348.359 1.103 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000445127878 305257013 /nfs/dbraw/zinc/25/70/13/305257013.db2.gz DGPUXFQGASEFMM-WDEREUQCSA-N 0 3 346.391 1.753 20 5 EDBDHN CC1(C)[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000451484391 305349216 /nfs/dbraw/zinc/34/92/16/305349216.db2.gz ZULLEMNRXZJGHT-NWANDNLSSA-N 0 3 333.388 1.987 20 5 EDBDHN CCn1cc([C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000451889383 305372154 /nfs/dbraw/zinc/37/21/54/305372154.db2.gz MJIAPRRZPXJDAY-TZMCWYRMSA-N 0 3 334.376 1.902 20 5 EDBDHN CCc1cccc2c1OCC[C@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515234199 305717433 /nfs/dbraw/zinc/71/74/33/305717433.db2.gz BIWBFUFDHOIDOA-GOEBONIOSA-N 0 3 346.387 1.828 20 5 EDBDHN CO[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000516922603 305744125 /nfs/dbraw/zinc/74/41/25/305744125.db2.gz JQRXQBZMXDDAHH-AWEZNQCLSA-N 0 3 328.390 1.383 20 5 EDBDHN CC(C)OCCN1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000530859214 305948054 /nfs/dbraw/zinc/94/80/54/305948054.db2.gz YRAAPDOAPMRRKX-UHFFFAOYSA-N 0 3 338.408 1.553 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H](CO)[C@H](O)C3)o2)c1 ZINC000554742176 306197312 /nfs/dbraw/zinc/19/73/12/306197312.db2.gz ULINFNQOVSSJEH-DZGCQCFKSA-N 0 3 347.371 1.467 20 5 EDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000554835320 306198476 /nfs/dbraw/zinc/19/84/76/306198476.db2.gz SHGGVTULCONOFZ-IAGOWNOFSA-N 0 3 338.404 1.626 20 5 EDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000556974283 306222316 /nfs/dbraw/zinc/22/23/16/306222316.db2.gz AEIQDPZEWWQLDM-STQMWFEESA-N 0 3 325.390 1.064 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000378356704 447420816 /nfs/dbraw/zinc/42/08/16/447420816.db2.gz AJBJQHPTCTWIGU-AWEZNQCLSA-N 0 3 333.436 1.903 20 5 EDBDHN C[C@H]1CCCCN1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000060669820 441255926 /nfs/dbraw/zinc/25/59/26/441255926.db2.gz BKZVVMOJLFFCQK-LBPRGKRZSA-N 0 3 349.387 1.970 20 5 EDBDHN CN(CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000073051657 441289010 /nfs/dbraw/zinc/28/90/10/441289010.db2.gz RXPXDNQAHJYOFQ-UHFFFAOYSA-N 0 3 335.360 1.119 20 5 EDBDHN C[C@@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(C)C1CC1 ZINC000073075189 441290911 /nfs/dbraw/zinc/29/09/11/441290911.db2.gz QFUCYMYMGUMBHH-NSHDSACASA-N 0 3 349.387 1.507 20 5 EDBDHN CCN(CC)[C@@H](C)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000108831563 441476905 /nfs/dbraw/zinc/47/69/05/441476905.db2.gz GTEHBSBNBMWHMP-LBPRGKRZSA-N 0 3 329.422 1.745 20 5 EDBDHN C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC1 ZINC000052641556 441466941 /nfs/dbraw/zinc/46/69/41/441466941.db2.gz HNHCEIUTIZWPPU-ZDUSSCGKSA-N 0 3 343.387 1.995 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000110019051 441513087 /nfs/dbraw/zinc/51/30/87/441513087.db2.gz MYVGMJAUQVABOV-BQYQJAHWSA-N 0 3 346.431 1.704 20 5 EDBDHN COc1ccc(NC(=O)CN2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000109804897 441507999 /nfs/dbraw/zinc/50/79/99/441507999.db2.gz WQOUJCYZWSQMAV-GFCCVEGCSA-N 0 3 336.392 1.568 20 5 EDBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066614337 441552060 /nfs/dbraw/zinc/55/20/60/441552060.db2.gz OGNSPTVIJMRAIP-UHFFFAOYSA-N 0 3 349.387 1.828 20 5 EDBDHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066614585 441552109 /nfs/dbraw/zinc/55/21/09/441552109.db2.gz MXOMKLSXJSIFGW-LBPRGKRZSA-N 0 3 349.387 1.970 20 5 EDBDHN CN(C)CCNC(=O)c1cccc(CNc2ncccc2[N+](=O)[O-])c1 ZINC000066816385 441570955 /nfs/dbraw/zinc/57/09/55/441570955.db2.gz YZTGVOPWQLQPPK-UHFFFAOYSA-N 0 3 343.387 1.893 20 5 EDBDHN CCN1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000033240797 441593039 /nfs/dbraw/zinc/59/30/39/441593039.db2.gz KBDIFSLNYSCAEE-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)[C@H]1CCc2ccccc21 ZINC000090551811 441633455 /nfs/dbraw/zinc/63/34/55/441633455.db2.gz IRTDUIPLTSLHID-KRWDZBQOSA-N 0 3 343.383 1.738 20 5 EDBDHN CC1CCN(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000076367957 441636631 /nfs/dbraw/zinc/63/66/31/441636631.db2.gz NCGZWLHYRKOGAS-UHFFFAOYSA-N 0 3 349.387 1.828 20 5 EDBDHN COCCN(C)CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000041967741 441688711 /nfs/dbraw/zinc/68/87/11/441688711.db2.gz PJBKWUUCZKBVER-UHFFFAOYSA-N 0 3 325.365 1.058 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000115441919 441744283 /nfs/dbraw/zinc/74/42/83/441744283.db2.gz JXTNUAJQYBAJAG-LLVKDONJSA-N 0 3 336.348 1.917 20 5 EDBDHN COCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000137243527 441759175 /nfs/dbraw/zinc/75/91/75/441759175.db2.gz FNDVLLRLESIYBW-UHFFFAOYSA-N 0 3 329.784 1.946 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000077925917 441886779 /nfs/dbraw/zinc/88/67/79/441886779.db2.gz OYJKKRJCYMTLLX-INIZCTEOSA-N 0 3 343.387 1.995 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000069502591 441955549 /nfs/dbraw/zinc/95/55/49/441955549.db2.gz UWVSAQVYXKKCST-ZDUSSCGKSA-N 0 3 346.387 1.917 20 5 EDBDHN Cn1cc(CN[C@H]2CCC(=O)N(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119963143 441983742 /nfs/dbraw/zinc/98/37/42/441983742.db2.gz JYOZCKOOSVRBFP-AWEZNQCLSA-N 0 3 343.387 1.706 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])n1 ZINC000119991701 441989866 /nfs/dbraw/zinc/98/98/66/441989866.db2.gz XNUIWHWUPOAOOH-UHFFFAOYSA-N 0 3 332.364 1.404 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000162181527 442072072 /nfs/dbraw/zinc/07/20/72/442072072.db2.gz FMGOULJJWYMXSR-CYBMUJFWSA-N 0 3 339.392 1.929 20 5 EDBDHN CN(C)[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000151775000 442119257 /nfs/dbraw/zinc/11/92/57/442119257.db2.gz RWOMKCVUSXDNHN-HNNXBMFYSA-N 0 3 346.391 1.393 20 5 EDBDHN COCCN(C)CCCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080011700 442107145 /nfs/dbraw/zinc/10/71/45/442107145.db2.gz ZRLSDTZYNSQWHR-ZDUSSCGKSA-N 0 3 338.408 1.923 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3nnc4ccccn43)CC2)n1 ZINC000176197575 442189178 /nfs/dbraw/zinc/18/91/78/442189178.db2.gz JWVZYLSBXWMHHB-UHFFFAOYSA-N 0 3 341.375 1.714 20 5 EDBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000153096836 442261440 /nfs/dbraw/zinc/26/14/40/442261440.db2.gz VORLDWHRABMWJD-UHFFFAOYSA-N 0 3 346.391 1.213 20 5 EDBDHN COc1cc(OCC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177168833 442308884 /nfs/dbraw/zinc/30/88/84/442308884.db2.gz BTKGRHSNGDSLNF-NWDGAFQWSA-N 0 3 349.387 1.724 20 5 EDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000131210450 442367412 /nfs/dbraw/zinc/36/74/12/442367412.db2.gz RPSGIZOSRSKDCH-CQSZACIVSA-N 0 3 339.417 1.499 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN3CCCC[C@@H]3C2)c1 ZINC000177754501 442379797 /nfs/dbraw/zinc/37/97/97/442379797.db2.gz XCPQKHCUUCOBQV-CVEARBPZSA-N 0 3 335.404 1.505 20 5 EDBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H](c1ccccc1)N(C)C ZINC000186485902 442543782 /nfs/dbraw/zinc/54/37/82/442543782.db2.gz ZZZVTNCWVLZALV-ABAIWWIYSA-N 0 3 343.387 1.993 20 5 EDBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000179857850 442513119 /nfs/dbraw/zinc/51/31/19/442513119.db2.gz OUVGHTGEGSYGQJ-GFCCVEGCSA-N 0 3 333.388 1.889 20 5 EDBDHN CN(C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000180503515 442613671 /nfs/dbraw/zinc/61/36/71/442613671.db2.gz GJHFCCSLDAIWSM-UHFFFAOYSA-N 0 3 329.360 1.564 20 5 EDBDHN Cc1ccc(CN(CCO)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000181983146 442725297 /nfs/dbraw/zinc/72/52/97/442725297.db2.gz UKTBYEWREUXBDD-UHFFFAOYSA-N 0 3 331.372 1.559 20 5 EDBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000182550136 442785099 /nfs/dbraw/zinc/78/50/99/442785099.db2.gz BCCKCCZZQFXZCP-ZDUSSCGKSA-N 0 3 331.376 1.428 20 5 EDBDHN CN(C)C[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000268117474 442854703 /nfs/dbraw/zinc/85/47/03/442854703.db2.gz KJAFZHKGARKEGT-LLVKDONJSA-N 0 3 325.340 1.665 20 5 EDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000194943884 442971192 /nfs/dbraw/zinc/97/11/92/442971192.db2.gz JMCWKRRBSCAZMM-LBPRGKRZSA-N 0 3 327.406 1.839 20 5 EDBDHN COCCCN(C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000266172721 443044238 /nfs/dbraw/zinc/04/42/38/443044238.db2.gz UOHDZNBZOXPQOO-UHFFFAOYSA-N 0 3 338.408 1.481 20 5 EDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000184896575 443093283 /nfs/dbraw/zinc/09/32/83/443093283.db2.gz PTSWYVIACXBXDO-GFCCVEGCSA-N 0 3 333.392 1.566 20 5 EDBDHN Cc1cc(F)c(NC(=O)C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000297531179 318767731 /nfs/dbraw/zinc/76/77/31/318767731.db2.gz WBGPHJNDAJXTAI-UHFFFAOYSA-N 0 3 326.328 1.001 20 5 EDBDHN Cc1n[nH]c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268685445 443077311 /nfs/dbraw/zinc/07/73/11/443077311.db2.gz HKANPVRPYTVZRA-AWEZNQCLSA-N 0 3 343.387 1.973 20 5 EDBDHN Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268685445 443077313 /nfs/dbraw/zinc/07/73/13/443077313.db2.gz HKANPVRPYTVZRA-AWEZNQCLSA-N 0 3 343.387 1.973 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C[NH3+])CC(C)C)cc1C ZINC000236673832 443143137 /nfs/dbraw/zinc/14/31/37/443143137.db2.gz VVYOHUYMTUPQFQ-LBPRGKRZSA-N 0 3 329.422 1.863 20 5 EDBDHN CCN1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC)c3)C2)CC1 ZINC000266380662 443112091 /nfs/dbraw/zinc/11/20/91/443112091.db2.gz MXXFRQDQEAAWON-OAHLLOKOSA-N 0 3 334.420 1.820 20 5 EDBDHN COCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000266534575 443159323 /nfs/dbraw/zinc/15/93/23/443159323.db2.gz NQNVLBIENIMOMZ-RHSMWYFYSA-N 0 3 348.403 1.862 20 5 EDBDHN CC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1C ZINC000414091830 319317134 /nfs/dbraw/zinc/31/71/34/319317134.db2.gz LFRBPURJFCABAY-XQQFMLRXSA-N 0 3 341.433 1.897 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2N(C)C)cc1[N+](=O)[O-] ZINC000414466658 319328003 /nfs/dbraw/zinc/32/80/03/319328003.db2.gz WQFVIFODLKCFAH-STQMWFEESA-N 0 3 341.433 1.973 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000414661770 319337974 /nfs/dbraw/zinc/33/79/74/319337974.db2.gz XXKVYUZYIZCTAC-LLVKDONJSA-N 0 3 330.291 1.722 20 5 EDBDHN CN(C)Cc1ccc(-c2noc(Cn3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000267089894 443338254 /nfs/dbraw/zinc/33/82/54/443338254.db2.gz RZOGRBAMKJTEEE-UHFFFAOYSA-N 0 3 328.332 1.951 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000272630073 443389160 /nfs/dbraw/zinc/38/91/60/443389160.db2.gz NCCONWZDFZFQQK-IINYFYTJSA-N 0 3 329.360 1.637 20 5 EDBDHN COc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000264795437 443429107 /nfs/dbraw/zinc/42/91/07/443429107.db2.gz SKIUGKKQRDNSAF-ZDUSSCGKSA-N 0 3 334.376 1.593 20 5 EDBDHN CS[C@H]1CC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000425341036 319832213 /nfs/dbraw/zinc/83/22/13/319832213.db2.gz FMSBSUJKXWYHRI-STQMWFEESA-N 0 3 345.446 1.357 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000265417022 443635473 /nfs/dbraw/zinc/63/54/73/443635473.db2.gz BSBQNPUWRXCPJJ-UHFFFAOYSA-N 0 3 341.795 1.825 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272336396 443595381 /nfs/dbraw/zinc/59/53/81/443595381.db2.gz NPUTWDFIQXWANW-BXKDBHETSA-N 0 3 333.344 1.536 20 5 EDBDHN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC2CC2)CC1 ZINC000283377642 443617018 /nfs/dbraw/zinc/61/70/18/443617018.db2.gz CXEFAYZNWSPPMP-UHFFFAOYSA-N 0 3 342.403 1.922 20 5 EDBDHN NC(=O)c1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451699285 320237812 /nfs/dbraw/zinc/23/78/12/320237812.db2.gz UTHLXFFGBTUFSI-UXIGCNINSA-N 0 3 333.388 1.677 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000452354933 320247849 /nfs/dbraw/zinc/24/78/49/320247849.db2.gz WPIIGEHXCNHOGJ-GFCCVEGCSA-N 0 3 337.376 1.180 20 5 EDBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298493560 443783267 /nfs/dbraw/zinc/78/32/67/443783267.db2.gz NLBUGVBBRVIUSR-KGLIPLIRSA-N 0 3 339.417 1.808 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCC[C@H](O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298455123 443772884 /nfs/dbraw/zinc/77/28/84/443772884.db2.gz RHEBSWVMXODOKI-NHYWBVRUSA-N 0 3 337.376 1.777 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000292988212 443896224 /nfs/dbraw/zinc/89/62/24/443896224.db2.gz MHPPQWXGYHXAKV-UHFFFAOYSA-N 0 3 335.813 1.787 20 5 EDBDHN C[C@H](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000544187354 320789945 /nfs/dbraw/zinc/78/99/45/320789945.db2.gz WFYKOCRYJZAZCJ-GFCCVEGCSA-N 0 3 342.421 1.533 20 5 EDBDHN CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000281890907 444032935 /nfs/dbraw/zinc/03/29/35/444032935.db2.gz YCPXNVGAXLTDMW-UHFFFAOYSA-N 0 3 326.422 1.412 20 5 EDBDHN Cc1ccc(CN2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000289209662 444077430 /nfs/dbraw/zinc/07/74/30/444077430.db2.gz BWDRJKQETUCXFU-CXAGYDPISA-N 0 3 346.387 1.856 20 5 EDBDHN CC(C)(CO)CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567688468 321252373 /nfs/dbraw/zinc/25/23/73/321252373.db2.gz QRDKYCYXSMWZKP-UHFFFAOYSA-N 0 3 344.433 1.757 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H](O)Cc2ccccc2)c1 ZINC000567872810 321263831 /nfs/dbraw/zinc/26/38/31/321263831.db2.gz HQRVFDCUFLGFSO-IRXDYDNUSA-N 0 3 346.383 1.528 20 5 EDBDHN C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C)C1CC1 ZINC000278200713 444116240 /nfs/dbraw/zinc/11/62/40/444116240.db2.gz PVNSVYJTKYZIKY-JTQLQIEISA-N 0 3 346.391 1.753 20 5 EDBDHN CN(CC1CCN(c2ccncc2)CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000301943280 444197593 /nfs/dbraw/zinc/19/75/93/444197593.db2.gz VYXOPOLDQXEHHB-UHFFFAOYSA-N 0 3 343.391 1.715 20 5 EDBDHN Cc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301961082 444198528 /nfs/dbraw/zinc/19/85/28/444198528.db2.gz MNHYOWAVTWMWNE-MRXNPFEDSA-N 0 3 332.404 1.822 20 5 EDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000296586073 444240550 /nfs/dbraw/zinc/24/05/50/444240550.db2.gz URCPYNXWUOEBLR-YPMHNXCESA-N 0 3 329.422 1.882 20 5 EDBDHN C[C@H]1CCN[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000325986543 444372098 /nfs/dbraw/zinc/37/20/98/444372098.db2.gz BYJJIEDCEYZRNR-JSGCOSHPSA-N 0 3 333.392 1.027 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCN(C)CC1 ZINC000297974750 444374336 /nfs/dbraw/zinc/37/43/36/444374336.db2.gz VRALIIZVMISFOR-UHFFFAOYSA-N 0 3 334.376 1.361 20 5 EDBDHN O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3CN4CCC[C@@H]4CO3)cc2N1 ZINC000327488238 444383019 /nfs/dbraw/zinc/38/30/19/444383019.db2.gz XMKJXONLQJBKMG-MNOVXSKESA-N 0 3 348.359 1.201 20 5 EDBDHN Cc1ccc(OC[C@H](O)CNCCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000578998564 321867038 /nfs/dbraw/zinc/86/70/38/321867038.db2.gz XOVYLTDIUCWOQD-OAHLLOKOSA-N 0 3 334.376 1.438 20 5 EDBDHN O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000342209592 444566602 /nfs/dbraw/zinc/56/66/02/444566602.db2.gz SXEKQYHEEVFHPH-KGLIPLIRSA-N 0 3 344.371 1.288 20 5 EDBDHN O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000342209592 444566605 /nfs/dbraw/zinc/56/66/05/444566605.db2.gz SXEKQYHEEVFHPH-KGLIPLIRSA-N 0 3 344.371 1.288 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2C[C@@H](OC)CN2C)c1 ZINC000343880333 444642822 /nfs/dbraw/zinc/64/28/22/444642822.db2.gz QWHFXPUXXNVIBH-CHWSQXEVSA-N 0 3 337.376 1.537 20 5 EDBDHN O=C1[C@H](N2C[C@@H]3CC[C@@H](O)[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344048891 444750162 /nfs/dbraw/zinc/75/01/62/444750162.db2.gz ZGJDMUGAIOONMU-DANNLKNASA-N 0 3 331.372 1.403 20 5 EDBDHN CC(=O)NCCN(CCn1cc([N+](=O)[O-])cn1)C1CCSCC1 ZINC000338586629 444757954 /nfs/dbraw/zinc/75/79/54/444757954.db2.gz IGGXHEKNKBCKAM-UHFFFAOYSA-N 0 3 341.437 1.125 20 5 EDBDHN COC(=O)c1cc(C)nc(NCCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000341544160 444885444 /nfs/dbraw/zinc/88/54/44/444885444.db2.gz GWUGGECTDYIZGY-GFCCVEGCSA-N 0 3 336.392 2.371 20 5 EDBDHN Cc1cnn(CC2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000341612613 444920077 /nfs/dbraw/zinc/92/00/77/444920077.db2.gz JNAAEEMGVJESSX-UHFFFAOYSA-N 0 3 345.403 1.674 20 5 EDBDHN CCOC[C@H](O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000344555758 445056749 /nfs/dbraw/zinc/05/67/49/445056749.db2.gz RZSRGOFIQRUEJO-OAHLLOKOSA-N 0 3 334.376 1.482 20 5 EDBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343149621 445098295 /nfs/dbraw/zinc/09/82/95/445098295.db2.gz HYTVQZVOUDJIFC-WCQYABFASA-N 0 3 329.360 1.883 20 5 EDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN(C)C1CC1 ZINC000345772577 445199186 /nfs/dbraw/zinc/19/91/86/445199186.db2.gz HFVGFOQSAHXTKK-LBPRGKRZSA-N 0 3 338.412 1.038 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000348216640 445319624 /nfs/dbraw/zinc/31/96/24/445319624.db2.gz PAQAGDLNSBAZEH-CQSZACIVSA-N 0 3 348.403 1.710 20 5 EDBDHN CN(C)CCOC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000354736216 445356948 /nfs/dbraw/zinc/35/69/48/445356948.db2.gz HBVLOORAHIXNHG-UHFFFAOYSA-N 0 3 336.392 1.360 20 5 EDBDHN COCCCN(C)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362842944 445577229 /nfs/dbraw/zinc/57/72/29/445577229.db2.gz MZNUNASPPBITKU-UHFFFAOYSA-N 0 3 345.346 1.500 20 5 EDBDHN COCc1nc2n(n1)C[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000358281976 445615492 /nfs/dbraw/zinc/61/54/92/445615492.db2.gz DQOJYGYWNVSZCA-VXGBXAGGSA-N 0 3 331.376 1.998 20 5 EDBDHN COc1cnccc1N1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000360256804 445660711 /nfs/dbraw/zinc/66/07/11/445660711.db2.gz HVHPNKMBXCJVJX-UHFFFAOYSA-N 0 3 332.364 1.367 20 5 EDBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000356195164 445670622 /nfs/dbraw/zinc/67/06/22/445670622.db2.gz SFOODJFNVZOTQM-NSHDSACASA-N 0 3 325.388 1.754 20 5 EDBDHN Cc1cc(NC[C@@H](CO)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360275753 445671250 /nfs/dbraw/zinc/67/12/50/445671250.db2.gz SOFJMYQPCPVKTA-STQMWFEESA-N 0 3 331.372 1.930 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H](CO)C2)cc1 ZINC000582965083 325969878 /nfs/dbraw/zinc/96/98/78/325969878.db2.gz KJXZXYCQKNQXKR-QWHCGFSZSA-N 0 3 342.417 1.509 20 5 EDBDHN Cc1cc(Sc2nnnn2C[C@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000356782958 446014710 /nfs/dbraw/zinc/01/47/10/446014710.db2.gz SUJKEBZGHUJBHM-NSHDSACASA-N 0 3 334.405 1.993 20 5 EDBDHN COc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366196117 446077762 /nfs/dbraw/zinc/07/77/62/446077762.db2.gz PMPSUBOMYJLACW-AWEZNQCLSA-N 0 3 349.387 1.587 20 5 EDBDHN CN1CCC[C@H](N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000365326760 446149954 /nfs/dbraw/zinc/14/99/54/446149954.db2.gz LHBQKNKRWMAODG-AWEZNQCLSA-N 0 3 332.404 1.447 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000374831167 446410833 /nfs/dbraw/zinc/41/08/33/446410833.db2.gz WXTOVCFWYLSIED-TZMCWYRMSA-N 0 3 349.387 1.587 20 5 EDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000411406531 446523806 /nfs/dbraw/zinc/52/38/06/446523806.db2.gz JHNOKAYGSSSSNW-UHFFFAOYSA-N 0 3 334.376 1.653 20 5 EDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCNC(C)(C)C1 ZINC000423703019 446648757 /nfs/dbraw/zinc/64/87/57/446648757.db2.gz BDTJWQPDWUCIOM-NSHDSACASA-N 0 3 338.412 1.038 20 5 EDBDHN COC(=O)CC[C@@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423718093 446658141 /nfs/dbraw/zinc/65/81/41/446658141.db2.gz BUDOFKMDNHFNDI-CYBMUJFWSA-N 0 3 335.360 1.366 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000420446323 446622637 /nfs/dbraw/zinc/62/26/37/446622637.db2.gz BCVRIQUDZSJTBE-RYUDHWBXSA-N 0 3 327.406 1.617 20 5 EDBDHN O=C(NC[C@@H]1CNCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418774278 446692339 /nfs/dbraw/zinc/69/23/39/446692339.db2.gz UZKXTPPOVXAQPC-HNNXBMFYSA-N 0 3 334.376 1.257 20 5 EDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCN2CCc2ccccc2)nc1 ZINC000368187269 446694189 /nfs/dbraw/zinc/69/41/89/446694189.db2.gz DYMONINJQVUNQN-HNNXBMFYSA-N 0 3 327.388 2.504 20 5 EDBDHN CN1CC[C@]2(CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000368318750 446783218 /nfs/dbraw/zinc/78/32/18/446783218.db2.gz UDLPHULABJHCAK-HNNXBMFYSA-N 0 3 339.417 1.452 20 5 EDBDHN O=C(NC[C@H]1CNCCO1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423990408 446812264 /nfs/dbraw/zinc/81/22/64/446812264.db2.gz JYJBSUAIYNZIMF-GFCCVEGCSA-N 0 3 348.384 1.437 20 5 EDBDHN O=C(NC[C@H]1CCCCN1CCO)Nc1ccc([N+](=O)[O-])cc1F ZINC000454283293 446832995 /nfs/dbraw/zinc/83/29/95/446832995.db2.gz WSKCAQZJNSEBIG-GFCCVEGCSA-N 0 3 340.355 1.702 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1F ZINC000412142559 446877948 /nfs/dbraw/zinc/87/79/48/446877948.db2.gz YBQLGVJEDIJWJK-WDEREUQCSA-N 0 3 339.367 1.884 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCN1C1CCN(C)CC1 ZINC000375797555 447058267 /nfs/dbraw/zinc/05/82/67/447058267.db2.gz VSTJWCWUKUWLGM-ZDUSSCGKSA-N 0 3 347.419 1.230 20 5 EDBDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000443310166 447030988 /nfs/dbraw/zinc/03/09/88/447030988.db2.gz ODXKHTHSBDIFEG-NYTXWWLZSA-N 0 3 338.404 1.816 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375831074 447087571 /nfs/dbraw/zinc/08/75/71/447087571.db2.gz MIDAXZPHKRTLJH-HOCLYGCPSA-N 0 3 332.404 1.873 20 5 EDBDHN COc1cc(C(=O)N(C)C[C@H]2CCCN2C)cc([N+](=O)[O-])c1OC ZINC000421703104 447224446 /nfs/dbraw/zinc/22/44/46/447224446.db2.gz LNEYAMSXIJHLPI-GFCCVEGCSA-N 0 3 337.376 1.778 20 5 EDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(N(C)C)CC1 ZINC000416300149 447561075 /nfs/dbraw/zinc/56/10/75/447561075.db2.gz HXRVTCPGRSWKOG-NSHDSACASA-N 0 3 338.412 1.038 20 5 EDBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000420235823 447682073 /nfs/dbraw/zinc/68/20/73/447682073.db2.gz JJADEAIEWZKNJN-IYBDPMFKSA-N 0 3 346.431 1.758 20 5 EDBDHN CC(COC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000497226463 447982477 /nfs/dbraw/zinc/98/24/77/447982477.db2.gz KNHGZQCRKHMKMG-LLVKDONJSA-N 0 3 346.380 1.611 20 5 EDBDHN CO[C@](C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000576512304 448070711 /nfs/dbraw/zinc/07/07/11/448070711.db2.gz WVUMNPSIWBUDBV-OAHLLOKOSA-N 0 3 342.417 1.773 20 5 EDBDHN CNc1nccc(C(=O)NCc2ccccc2CN(C)C)c1[N+](=O)[O-] ZINC000557541671 448186752 /nfs/dbraw/zinc/18/67/52/448186752.db2.gz WPHIWHVVJCDXPF-UHFFFAOYSA-N 0 3 343.387 2.023 20 5 EDBDHN COC1CCN(CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591067842 448250698 /nfs/dbraw/zinc/25/06/98/448250698.db2.gz WALNIMJTWNBBFI-DLBZAZTESA-N 0 3 347.415 1.925 20 5 EDBDHN CC(C)(C)N1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000532671767 448293845 /nfs/dbraw/zinc/29/38/45/448293845.db2.gz NRQHNCJESDDWRU-UHFFFAOYSA-N 0 3 338.412 1.307 20 5 EDBDHN CC(C)(C)c1ccncc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583019558 448403654 /nfs/dbraw/zinc/40/36/54/448403654.db2.gz CRUHGLQXAZZJLH-CQSZACIVSA-N 0 3 333.392 1.635 20 5 EDBDHN C[C@@H]1C[C@H]1N1C[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000577741611 448375131 /nfs/dbraw/zinc/37/51/31/448375131.db2.gz RXBDEJFFOFQYOP-TYNCELHUSA-N 0 3 346.387 1.522 20 5 EDBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000591768666 448487540 /nfs/dbraw/zinc/48/75/40/448487540.db2.gz RIJJMOWRRPEJIK-RISCZKNCSA-N 0 3 333.344 1.786 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000591982998 448610142 /nfs/dbraw/zinc/61/01/42/448610142.db2.gz SQXBLWSHIHHPJR-GFCCVEGCSA-N 0 3 343.387 1.699 20 5 EDBDHN CCN1CC[C@@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000573385256 448614214 /nfs/dbraw/zinc/61/42/14/448614214.db2.gz SQGYLKADNIRZGS-WCQYABFASA-N 0 3 335.408 1.834 20 5 EDBDHN COCc1nc2n(n1)C[C@@H](N[C@@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000518215743 448657161 /nfs/dbraw/zinc/65/71/61/448657161.db2.gz ZRJOGHIKHWMECI-SMDDNHRTSA-N 0 3 343.387 1.925 20 5 EDBDHN Cc1c(NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000592213629 448751424 /nfs/dbraw/zinc/75/14/24/448751424.db2.gz ZRBGTNPQQHXVJE-GFCCVEGCSA-N 0 3 349.391 1.487 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000574168386 448808486 /nfs/dbraw/zinc/80/84/86/448808486.db2.gz KEJIWTCLUCSFOC-CYBMUJFWSA-N 0 3 348.403 1.751 20 5 EDBDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000547785137 448927884 /nfs/dbraw/zinc/92/78/84/448927884.db2.gz LQYSOEIGSRDYLY-UHFFFAOYSA-N 0 3 335.408 1.136 20 5 EDBDHN Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c(OCCN(C)C)c1 ZINC000548420408 449039292 /nfs/dbraw/zinc/03/92/92/449039292.db2.gz YQOYPFUHCROYLI-UHFFFAOYSA-N 0 3 333.348 1.819 20 5 EDBDHN Cc1ccc(NC(=O)c2c[n-]nc2[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000548420408 449039296 /nfs/dbraw/zinc/03/92/96/449039296.db2.gz YQOYPFUHCROYLI-UHFFFAOYSA-N 0 3 333.348 1.819 20 5 EDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597859613 449126579 /nfs/dbraw/zinc/12/65/79/449126579.db2.gz WGMZUDKKPMBVOJ-NSHDSACASA-N 0 3 335.360 1.926 20 5 EDBDHN CN(CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])Cc1ccccc1 ZINC000548714188 449087041 /nfs/dbraw/zinc/08/70/41/449087041.db2.gz LQAOOKXHSJHDNX-UHFFFAOYSA-N 0 3 329.360 1.434 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000590047137 449100464 /nfs/dbraw/zinc/10/04/64/449100464.db2.gz UHDYXPKDQMTQCS-JQWIXIFHSA-N 0 3 341.314 1.972 20 5 EDBDHN CCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597944977 449154575 /nfs/dbraw/zinc/15/45/75/449154575.db2.gz FRIWYDODASOIEB-IUODEOHRSA-N 0 3 348.403 1.266 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1C[C@H](O)C12CCC2 ZINC000595779398 449160316 /nfs/dbraw/zinc/16/03/16/449160316.db2.gz DRHRQUIRBXFAIP-LKTVYLICSA-N 0 3 349.387 1.824 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000590442335 449163285 /nfs/dbraw/zinc/16/32/85/449163285.db2.gz FMOSZNOYPALVDQ-BBRMVZONSA-N 0 3 341.371 1.557 20 5 EDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(CCCF)CC1 ZINC000600072293 449171969 /nfs/dbraw/zinc/17/19/69/449171969.db2.gz QJPZZTGYFMUUFS-UHFFFAOYSA-N 0 3 335.339 1.589 20 5 EDBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000597925457 449145015 /nfs/dbraw/zinc/14/50/15/449145015.db2.gz VNHXSADNDFYBBF-NSHDSACASA-N 0 3 335.360 1.926 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590588780 449204317 /nfs/dbraw/zinc/20/43/17/449204317.db2.gz JYPYHZXFUNKZAR-RISCZKNCSA-N 0 3 327.406 1.616 20 5 EDBDHN CC[C@@H]1CN(C)CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000590539234 449182083 /nfs/dbraw/zinc/18/20/83/449182083.db2.gz XHGPUSJLMUCZBA-CQSZACIVSA-N 0 3 334.420 1.974 20 5 EDBDHN Cc1nn(C)c(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1[N+](=O)[O-] ZINC000595944172 449270669 /nfs/dbraw/zinc/27/06/69/449270669.db2.gz VWAHDRQHTGNTPE-ZDUSSCGKSA-N 0 3 345.359 1.550 20 5 EDBDHN Nc1nccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598217717 449296401 /nfs/dbraw/zinc/29/64/01/449296401.db2.gz AFMQFXQBLUNJPV-LLVKDONJSA-N 0 3 333.392 1.709 20 5 EDBDHN CN(C)CCN1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1=O ZINC000593486485 449305817 /nfs/dbraw/zinc/30/58/17/449305817.db2.gz ZFVGSNNQMUCNEJ-UHFFFAOYSA-N 0 3 347.419 1.079 20 5 EDBDHN CN(C)CCN1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593486362 449306714 /nfs/dbraw/zinc/30/67/14/449306714.db2.gz UIFUCIDSDZDOHE-UHFFFAOYSA-N 0 3 343.387 1.353 20 5 EDBDHN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000596099363 449360383 /nfs/dbraw/zinc/36/03/83/449360383.db2.gz SAORWGLSHCLWJA-UHFFFAOYSA-N 0 3 345.277 1.428 20 5 EDBDHN C[C@@H]1CN(CCCNc2c(Cl)cncc2[N+](=O)[O-])CCCO1 ZINC000596207351 449413821 /nfs/dbraw/zinc/41/38/21/449413821.db2.gz DHEQMRIALHFLPY-LLVKDONJSA-N 0 3 328.800 1.978 20 5 EDBDHN O=c1[n-]ccc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000596166092 449392620 /nfs/dbraw/zinc/39/26/20/449392620.db2.gz PLHLNOGZZIZNRF-KBPBESRZSA-N 0 3 336.392 1.875 20 5 EDBDHN Cc1nc(NCc2ccc(CN3CC[C@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596422160 449494192 /nfs/dbraw/zinc/49/41/92/449494192.db2.gz BNWPFWPWYICHAW-INIZCTEOSA-N 0 3 342.399 2.477 20 5 EDBDHN O=C1[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000600761270 449537992 /nfs/dbraw/zinc/53/79/92/449537992.db2.gz ODENTGIWKIFQJZ-HOCLYGCPSA-N 0 3 349.387 1.078 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000617280887 449541794 /nfs/dbraw/zinc/54/17/94/449541794.db2.gz OTAMYZBOKPCQOZ-UHFFFAOYSA-N 0 3 342.355 1.961 20 5 EDBDHN O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596454910 449511033 /nfs/dbraw/zinc/51/10/33/449511033.db2.gz XUDKPPIMEOGZGS-OAHLLOKOSA-N 0 3 344.371 1.420 20 5 EDBDHN C[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000598645719 449516270 /nfs/dbraw/zinc/51/62/70/449516270.db2.gz GMRBTKHFZQMUSZ-OLZOCXBDSA-N 0 3 349.387 1.843 20 5 EDBDHN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCC1 ZINC000600816244 449560584 /nfs/dbraw/zinc/56/05/84/449560584.db2.gz MBIBQGZBIBBQIQ-UHFFFAOYSA-N 0 3 333.392 1.123 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CN)C(F)(F)F ZINC000594525998 449562235 /nfs/dbraw/zinc/56/22/35/449562235.db2.gz ZORZWHLEOKULEZ-NSHDSACASA-N 0 3 334.298 1.668 20 5 EDBDHN [NH3+]CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000599102137 449732862 /nfs/dbraw/zinc/73/28/62/449732862.db2.gz GMSOQTRUMBSBRP-UHFFFAOYSA-N 0 3 349.796 1.034 20 5 EDBDHN C[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)C(F)(F)F ZINC000602741336 449777536 /nfs/dbraw/zinc/77/75/36/449777536.db2.gz ARPABSOBXOTSGK-ZANVPECISA-N 0 3 348.325 1.860 20 5 EDBDHN CN1CCC(O)(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601264119 449785581 /nfs/dbraw/zinc/78/55/81/449785581.db2.gz UVBXKUWAQQHOTG-UHFFFAOYSA-N 0 3 347.415 1.589 20 5 EDBDHN COc1ccc(CN(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000597206169 449870116 /nfs/dbraw/zinc/87/01/16/449870116.db2.gz RAGILGOCXWFNJM-UHFFFAOYSA-N 0 3 338.408 1.055 20 5 EDBDHN CCc1n[n-]c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000597581770 450125172 /nfs/dbraw/zinc/12/51/72/450125172.db2.gz RBNKPMLWDYSIOQ-GXSJLCMTSA-N 0 3 325.344 1.139 20 5 EDBDHN O=C([C@@H]1CCCN1C1CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618868808 450324785 /nfs/dbraw/zinc/32/47/85/450324785.db2.gz AHEHBKLDNLXLKM-AWEZNQCLSA-N 0 3 333.392 1.582 20 5 EDBDHN Cc1c(C(=O)N(C)CCN(C)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000186773856 533734767 /nfs/dbraw/zinc/73/47/67/533734767.db2.gz ZKJLNECVVFHWIH-UHFFFAOYSA-N 0 3 336.348 1.978 20 5 EDBDHN CCNC(=O)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000339319413 535390848 /nfs/dbraw/zinc/39/08/48/535390848.db2.gz GAPXSHYDHWXHPA-WFASDCNBSA-N 0 3 339.392 1.085 20 5 EDBDHN CN(C)CCOc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345307180 535918946 /nfs/dbraw/zinc/91/89/46/535918946.db2.gz ZPSVIOXPIJJBHO-UHFFFAOYSA-N 0 3 347.375 1.199 20 5 EDBDHN Nc1c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000749389127 579724599 /nfs/dbraw/zinc/72/45/99/579724599.db2.gz IBQRPEREEHAHDF-CYBMUJFWSA-N 0 3 348.403 1.550 20 5 EDBDHN Cc1nn(CN2CC[C@H]([C@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749799288 579740129 /nfs/dbraw/zinc/74/01/29/579740129.db2.gz WFDVEZVSHXOMRG-STQMWFEESA-N 0 3 331.376 1.964 20 5 EDBDHN Cc1cc(F)cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000753094914 579872461 /nfs/dbraw/zinc/87/24/61/579872461.db2.gz RRVCDABFSTZCBO-QWHCGFSZSA-N 0 3 337.351 1.635 20 5 EDBDHN Cc1cc(F)cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000753094916 579872508 /nfs/dbraw/zinc/87/25/08/579872508.db2.gz RRVCDABFSTZCBO-STQMWFEESA-N 0 3 337.351 1.635 20 5 EDBDHN CN1CCC(ONC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000773549696 580340637 /nfs/dbraw/zinc/34/06/37/580340637.db2.gz KNKZKZYYSLVDFB-UHFFFAOYSA-N 0 3 348.403 1.951 20 5 EDBDHN Cc1nc([C@H]2CCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000776586246 580422493 /nfs/dbraw/zinc/42/24/93/580422493.db2.gz LRIODRFMFRFJQZ-DZGCQCFKSA-N 0 3 331.376 1.934 20 5 EDBDHN Cc1n[nH]c([C@H]2CCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000776586246 580422494 /nfs/dbraw/zinc/42/24/94/580422494.db2.gz LRIODRFMFRFJQZ-DZGCQCFKSA-N 0 3 331.376 1.934 20 5 EDBDHN CC[N@H+](CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000780855091 580535064 /nfs/dbraw/zinc/53/50/64/580535064.db2.gz FEMQRGLBXCYFQK-UHFFFAOYSA-N 0 3 333.385 1.743 20 5 EDBDHN CC[N@@H+](CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000780855091 580535065 /nfs/dbraw/zinc/53/50/65/580535065.db2.gz FEMQRGLBXCYFQK-UHFFFAOYSA-N 0 3 333.385 1.743 20 5 EDBDHN O=[N+]([O-])CCN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000791052940 580783597 /nfs/dbraw/zinc/78/35/97/580783597.db2.gz PRSKUROLVOCWOZ-MRXNPFEDSA-N 0 3 333.436 1.192 20 5 EDBDHN C[C@H](c1ccccc1)[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000794716943 580904402 /nfs/dbraw/zinc/90/44/02/580904402.db2.gz ILPHJNWJMLDRDA-CSMYWGQOSA-N 0 3 343.383 1.875 20 5 EDBDHN CNC(=O)[C@]1(C)CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000797418609 580975251 /nfs/dbraw/zinc/97/52/51/580975251.db2.gz ZIGMIMRJLKBIPN-QGZVFWFLSA-N 0 3 343.387 1.874 20 5 EDBDHN CN1C[C@@H]2CCCN(c3c4ccccc4n(C)c(=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000894276493 591261468 /nfs/dbraw/zinc/26/14/68/591261468.db2.gz UHCONQBYBWHUNO-SWLSCSKDSA-N 0 3 342.399 1.977 20 5 EDBDHN CCOC(=O)c1ccnc(N2C[C@@H]3CN(C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000896914960 591679201 /nfs/dbraw/zinc/67/92/01/591679201.db2.gz RSURXMLPJUNTMG-MEDUHNTESA-N 0 3 334.376 1.554 20 5 EDBDHN C[C@H](NC(=O)C1CN(C2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000897868654 591700245 /nfs/dbraw/zinc/70/02/45/591700245.db2.gz KKPGZJRBFOTWHX-LBPRGKRZSA-N 0 3 333.388 1.883 20 5 EDBDHN COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897221894 591776501 /nfs/dbraw/zinc/77/65/01/591776501.db2.gz PXBWBKZAHPGWAW-IAGOWNOFSA-N 0 3 335.404 1.777 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCO1 ZINC000900740301 592114300 /nfs/dbraw/zinc/11/43/00/592114300.db2.gz VMEWUTSCKAZBSE-SNVBAGLBSA-N 0 3 345.758 1.790 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCNC)C(C)C ZINC000903590115 592229701 /nfs/dbraw/zinc/22/97/01/592229701.db2.gz NRCNDXODZIWGBU-UHFFFAOYSA-N 0 3 329.422 1.776 20 5 EDBDHN CN1CC=C(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC000907226126 592557991 /nfs/dbraw/zinc/55/79/91/592557991.db2.gz GMCAAXMWRZFGBI-UHFFFAOYSA-N 0 3 347.371 1.748 20 5 EDBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H](C)C1 ZINC000910282872 592820016 /nfs/dbraw/zinc/82/00/16/592820016.db2.gz CEMCQCGHVJVLHM-LBPRGKRZSA-N 0 3 349.387 1.922 20 5 EDBDHN CN(C)CCOCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809917916 593372228 /nfs/dbraw/zinc/37/22/28/593372228.db2.gz QSHQFODWYAABDM-UHFFFAOYSA-N 0 3 330.772 1.948 20 5 EDBDHN CCOc1ccc(-n2ncc(C(=O)OCC(C)[N+](=O)[O-])c2C)nn1 ZINC000813101952 593517319 /nfs/dbraw/zinc/51/73/19/593517319.db2.gz LTWQJBJHDIWSHU-VIFPVBQESA-N 0 3 335.320 1.191 20 5 EDBDHN CCOc1ccc(-n2ncc(C(=O)OCC(C)[N+](=O)[O-])c2C)nn1 ZINC000813101951 593517359 /nfs/dbraw/zinc/51/73/59/593517359.db2.gz LTWQJBJHDIWSHU-SECBINFHSA-N 0 3 335.320 1.191 20 5 EDBDHN CC(COC(=O)CSc1nnc(-c2cccs2)n1C)[N+](=O)[O-] ZINC000813103737 593517775 /nfs/dbraw/zinc/51/77/75/593517775.db2.gz SAKIKAFSMWWZTG-MRVPVSSYSA-N 0 3 342.402 1.844 20 5 EDBDHN Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106099 593517871 /nfs/dbraw/zinc/51/78/71/593517871.db2.gz YGXPVFSELLLSHP-PBJWJZLWSA-N 0 3 335.295 1.327 20 5 EDBDHN CN(C[C@@H]1CCCN1C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000817375736 593598503 /nfs/dbraw/zinc/59/85/03/593598503.db2.gz ZLXDUUNOGKRESV-AWEZNQCLSA-N 0 3 347.419 1.820 20 5 EDBDHN C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625104 593886277 /nfs/dbraw/zinc/88/62/77/593886277.db2.gz FWMKIMYPCVTROE-FZMZJTMJSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625104 593886278 /nfs/dbraw/zinc/88/62/78/593886278.db2.gz FWMKIMYPCVTROE-FZMZJTMJSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625104 593886280 /nfs/dbraw/zinc/88/62/80/593886280.db2.gz FWMKIMYPCVTROE-FZMZJTMJSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625104 593886282 /nfs/dbraw/zinc/88/62/82/593886282.db2.gz FWMKIMYPCVTROE-FZMZJTMJSA-N 0 3 343.391 1.695 20 5 EDBDHN COC1CCN(CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823980906 593900555 /nfs/dbraw/zinc/90/05/55/593900555.db2.gz SUDXTWYKXOBFCW-UHFFFAOYSA-N 0 3 337.380 1.409 20 5 EDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@@H](C)N(C)C ZINC000822456997 594051566 /nfs/dbraw/zinc/05/15/66/594051566.db2.gz FVBNUTIXPPUBMA-MRVPVSSYSA-N 0 3 326.328 1.372 20 5 EDBDHN O=[N+]([O-])c1ccc(NCCCc2nc(N3CCNCC3)no2)cc1 ZINC000823321136 594185600 /nfs/dbraw/zinc/18/56/00/594185600.db2.gz VKPUJXRQUMVLIO-UHFFFAOYSA-N 0 3 332.364 1.432 20 5 EDBDHN NCc1cccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000829937629 594296161 /nfs/dbraw/zinc/29/61/61/594296161.db2.gz OHNSVVNHBDSOIO-AWEZNQCLSA-N 0 3 341.371 1.775 20 5 EDBDHN CCO[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])CN(C)C ZINC000831707914 594694499 /nfs/dbraw/zinc/69/44/99/594694499.db2.gz ORAFQHQJLHDULD-LBPRGKRZSA-N 0 3 327.356 1.359 20 5 EDBDHN COC(=O)[C@@H]1CNCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843384350 595096068 /nfs/dbraw/zinc/09/60/68/595096068.db2.gz NMOWYADYMKPGPT-ZDUSSCGKSA-N 0 3 327.768 1.585 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)C[C@H](C)[NH3+])c1 ZINC000842914992 595234424 /nfs/dbraw/zinc/23/44/24/595234424.db2.gz PMNVPSISIZJTMS-DTWKUNHWSA-N 0 3 335.813 1.961 20 5 EDBDHN NC[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000848598093 595414488 /nfs/dbraw/zinc/41/44/88/595414488.db2.gz WALYBYFFVZEHGS-LLVKDONJSA-N 0 3 332.282 1.552 20 5 EDBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000855697390 595801247 /nfs/dbraw/zinc/80/12/47/595801247.db2.gz RJDWEQIKTGISDE-YFHOEESVSA-N 0 3 348.403 1.086 20 5 EDBDHN C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000858631557 595850651 /nfs/dbraw/zinc/85/06/51/595850651.db2.gz GANMUHIWWGQQGS-DTORHVGOSA-N 0 3 349.359 1.778 20 5 EDBDHN CC(C)NC(=O)[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852698984 596229366 /nfs/dbraw/zinc/22/93/66/596229366.db2.gz VSNBJQBZMHWBCE-ZBFHGGJFSA-N 0 3 335.404 1.865 20 5 EDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000865485528 596588029 /nfs/dbraw/zinc/58/80/29/596588029.db2.gz RZJWNQZVFRMTMQ-RKDXNWHRSA-N 0 3 349.313 1.622 20 5 EDBDHN CN(C)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864416610 596887271 /nfs/dbraw/zinc/88/72/71/596887271.db2.gz YINLILFUCOBPHM-UHFFFAOYSA-N 0 3 330.182 1.578 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c(C)c1[N+](=O)[O-] ZINC000874840568 597193825 /nfs/dbraw/zinc/19/38/25/597193825.db2.gz PJBCKTPXTYHYNM-KGLIPLIRSA-N 0 3 335.408 1.493 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNCCC23CCC3)s1 ZINC000883478416 597767793 /nfs/dbraw/zinc/76/77/93/597767793.db2.gz HUVQUPKAXAUPBN-UHFFFAOYSA-N 0 3 331.419 1.563 20 5 EDBDHN C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000918467426 697170070 /nfs/dbraw/zinc/17/00/70/697170070.db2.gz JLRDRMRDQWLIGB-GFCCVEGCSA-N 0 3 334.376 1.524 20 5 EDBDHN CC[C@]1(CO)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000187616801 529424751 /nfs/dbraw/zinc/42/47/51/529424751.db2.gz HZIQFOSPXDVESW-YOEHRIQHSA-N 0 3 338.404 1.819 20 5 EDBDHN C[NH+](C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000175080687 282194235 /nfs/dbraw/zinc/19/42/35/282194235.db2.gz ONLRRURAQNMLJM-NWDGAFQWSA-N 0 3 327.406 1.746 20 5 EDBDHN Cc1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000184328927 235368125 /nfs/dbraw/zinc/36/81/25/235368125.db2.gz RBQKOHAUCYOOEC-CQSZACIVSA-N 0 3 334.420 1.659 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187214742 236148013 /nfs/dbraw/zinc/14/80/13/236148013.db2.gz CLNSOICOZGSACA-SJCJKPOMSA-N 0 3 345.403 1.907 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000173913725 237271576 /nfs/dbraw/zinc/27/15/76/237271576.db2.gz QNZALQUWLDRDNZ-UHFFFAOYSA-N 0 3 346.391 1.717 20 5 EDBDHN CCOc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000564845268 306366961 /nfs/dbraw/zinc/36/69/61/306366961.db2.gz VLZDBQDMINHYGD-ZDUSSCGKSA-N 0 3 338.339 1.480 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCNC[C@@H]1C(F)F ZINC000564986612 306372297 /nfs/dbraw/zinc/37/22/97/306372297.db2.gz ZKVNNTBTYBWMDJ-CYBMUJFWSA-N 0 3 342.346 1.771 20 5 EDBDHN C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000133144675 223391835 /nfs/dbraw/zinc/39/18/35/223391835.db2.gz IJLPPIJJFUCLPK-GFCCVEGCSA-N 0 3 338.383 1.347 20 5 EDBDHN O=C(NC[C@H]1CNCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418773750 284001890 /nfs/dbraw/zinc/00/18/90/284001890.db2.gz UMVVALMKRKVJSV-CQSZACIVSA-N 0 3 334.376 1.257 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-]C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000193249287 138964765 /nfs/dbraw/zinc/96/47/65/138964765.db2.gz WLKFEVIMNFXISQ-UHFFFAOYSA-N 0 3 347.368 1.291 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@H]1CCC[NH2+]C1 ZINC000237205636 139044359 /nfs/dbraw/zinc/04/43/59/139044359.db2.gz JIKMSVOUYYGUNQ-LLVKDONJSA-N 0 3 343.405 1.271 20 5 EDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246498293 139110866 /nfs/dbraw/zinc/11/08/66/139110866.db2.gz XQRJGEAYPQWPDB-STQMWFEESA-N 0 3 341.433 1.946 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C(C1CC1)C1CC1 ZINC000090015502 217909568 /nfs/dbraw/zinc/90/95/68/217909568.db2.gz ACZPJNFJZCNSEP-UHFFFAOYSA-N 0 3 339.417 1.651 20 5 EDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337637377 284810003 /nfs/dbraw/zinc/81/00/03/284810003.db2.gz CSXBLOVJLWYLIO-GFCCVEGCSA-N 0 3 329.422 1.912 20 5 EDBDHN O=C(CN1CCNC[C@H]1c1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000262285114 139266554 /nfs/dbraw/zinc/26/65/54/139266554.db2.gz VHUGZEHHUVEDTQ-INIZCTEOSA-N 0 3 341.371 1.575 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1NCCc2ccccc21 ZINC000262418814 139277811 /nfs/dbraw/zinc/27/78/11/139277811.db2.gz RNIORFDMCLTOEB-CQSZACIVSA-N 0 3 329.360 1.103 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000152895174 224028299 /nfs/dbraw/zinc/02/82/99/224028299.db2.gz FPFSMQYJAQILBI-MRXNPFEDSA-N 0 3 338.408 1.216 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000153013193 224046231 /nfs/dbraw/zinc/04/62/31/224046231.db2.gz NNUSMUVGVRWWFV-QGZVFWFLSA-N 0 3 337.420 1.935 20 5 EDBDHN COc1cc(CN[C@H]2CCn3ccnc3C2)c([N+](=O)[O-])cc1OC ZINC000494433739 255250746 /nfs/dbraw/zinc/25/07/46/255250746.db2.gz DXWVOOSYDPQITG-LBPRGKRZSA-N 0 3 332.360 1.913 20 5 EDBDHN Cc1nn(CCC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000119352697 221300942 /nfs/dbraw/zinc/30/09/42/221300942.db2.gz QADIDHVJGLTRMW-LSDHHAIUSA-N 0 3 349.435 1.741 20 5 EDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000119674624 221373581 /nfs/dbraw/zinc/37/35/81/221373581.db2.gz CAQYHWZDMQHAQZ-AWEZNQCLSA-N 0 3 331.376 1.977 20 5 EDBDHN COC(=O)CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC(C)C ZINC000159784841 533414475 /nfs/dbraw/zinc/41/44/75/533414475.db2.gz OPCUXJLYNLCLQK-UHFFFAOYSA-N 0 3 325.365 1.278 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC12CC[NH2+]CC2 ZINC000368318351 296499604 /nfs/dbraw/zinc/49/96/04/296499604.db2.gz RIASALMBRBPTLE-GFCCVEGCSA-N 0 3 345.808 1.669 20 5 EDBDHN COc1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000270497550 140111705 /nfs/dbraw/zinc/11/17/05/140111705.db2.gz PFMYAGYJNCKDIT-TZMCWYRMSA-N 0 3 339.417 1.721 20 5 EDBDHN CC(C)[C@](C)(CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352895704 149206983 /nfs/dbraw/zinc/20/69/83/149206983.db2.gz WCUHWTWGHNLQHY-AWEZNQCLSA-N 0 3 330.406 1.365 20 5 EDBDHN CN(C[C@H]1CCN(C)C1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000354973303 150060580 /nfs/dbraw/zinc/06/05/80/150060580.db2.gz JGPUXOWLVZXZIZ-ZDUSSCGKSA-N 0 3 343.387 1.804 20 5 EDBDHN CN(C)C(=O)NCCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000355028070 150081044 /nfs/dbraw/zinc/08/10/44/150081044.db2.gz FUNLTVCFNJTAQQ-UHFFFAOYSA-N 0 3 337.380 1.126 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355386482 150247150 /nfs/dbraw/zinc/24/71/50/150247150.db2.gz RDYPOMZPZIISTM-HZPDHXFCSA-N 0 3 333.388 1.459 20 5 EDBDHN O=C(CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCC(F)F ZINC000360922440 152252803 /nfs/dbraw/zinc/25/28/03/152252803.db2.gz QBGBFLVCEGMICY-NXEZZACHSA-N 0 3 331.323 1.246 20 5 EDBDHN CNc1c(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000360940205 152258705 /nfs/dbraw/zinc/25/87/05/152258705.db2.gz CNIQKRZFWORZEV-STQMWFEESA-N 0 3 338.433 1.754 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000361212439 152336339 /nfs/dbraw/zinc/33/63/39/152336339.db2.gz NMTMGUNNJYMUNY-ZDUSSCGKSA-N 0 3 349.435 1.392 20 5 EDBDHN CC1(C)[C@H](O)CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000361405752 152384515 /nfs/dbraw/zinc/38/45/15/152384515.db2.gz YPVPTQPXUASKCB-CQSZACIVSA-N 0 3 335.360 1.738 20 5 EDBDHN Cc1nc(N[C@H]2CCN(CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000363887642 153085959 /nfs/dbraw/zinc/08/59/59/153085959.db2.gz GUSOMOLKMOAIDK-AWEZNQCLSA-N 0 3 335.408 1.117 20 5 EDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000364114044 153148909 /nfs/dbraw/zinc/14/89/09/153148909.db2.gz ZIEGPSGZIRWFLI-HNNXBMFYSA-N 0 3 346.387 1.149 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC2(CC1)NC(=O)NC2=O ZINC000272374649 292295831 /nfs/dbraw/zinc/29/58/31/292295831.db2.gz BBBSRYUIWMUJFJ-NSHDSACASA-N 0 3 332.360 1.638 20 5 EDBDHN COc1cc(CN[C@@H]2CCN(c3ccn(C)n3)C2)c([N+](=O)[O-])cc1O ZINC000367701821 154234799 /nfs/dbraw/zinc/23/47/99/154234799.db2.gz UEHSQHSFVNSYCW-GFCCVEGCSA-N 0 3 347.375 1.411 20 5 EDBDHN CN(C)CCN1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000378076563 158072472 /nfs/dbraw/zinc/07/24/72/158072472.db2.gz OCGVVDJGWCUCFA-UHFFFAOYSA-N 0 3 348.447 1.623 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Cc3cccnc3)CC2)c1 ZINC000378403941 158164444 /nfs/dbraw/zinc/16/44/44/158164444.db2.gz APKDHNXOQVSYJF-QGZVFWFLSA-N 0 3 345.403 1.502 20 5 EDBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122708057 222142205 /nfs/dbraw/zinc/14/22/05/222142205.db2.gz GEKZOZIENKKAAL-UHFFFAOYSA-N 0 3 335.451 1.975 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273477244 268047824 /nfs/dbraw/zinc/04/78/24/268047824.db2.gz PTJJLDSOFIUBRE-GFCCVEGCSA-N 0 3 340.355 1.702 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(N(C)C)CCC1 ZINC000275479901 268348777 /nfs/dbraw/zinc/34/87/77/268348777.db2.gz NKOIEYUWEROGEI-UHFFFAOYSA-N 0 3 327.406 1.666 20 5 EDBDHN CN(Cc1cccnc1)C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000275495486 268351260 /nfs/dbraw/zinc/35/12/60/268351260.db2.gz BUKTWNFFJGUIFL-AWEZNQCLSA-N 0 3 330.392 1.682 20 5 EDBDHN COCCO[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275508084 268353043 /nfs/dbraw/zinc/35/30/43/268353043.db2.gz HQZDTIJSAVDULG-UONOGXRCSA-N 0 3 340.376 1.072 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000275760872 273125882 /nfs/dbraw/zinc/12/58/82/273125882.db2.gz OSOWQMQAQCYANX-LBPRGKRZSA-N 0 3 338.364 1.398 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)NCC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000275862230 273131649 /nfs/dbraw/zinc/13/16/49/273131649.db2.gz JCYQDZUBLFKIER-UHFFFAOYSA-N 0 3 348.403 1.234 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H](c1cccs1)N1CCCC1 ZINC000032762872 272909480 /nfs/dbraw/zinc/90/94/80/272909480.db2.gz GGINKCOUNAAAFY-CYBMUJFWSA-N 0 3 349.416 1.806 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000277135268 273182727 /nfs/dbraw/zinc/18/27/27/273182727.db2.gz ZEUJAALYDKNANT-GXTWGEPZSA-N 0 3 341.433 1.782 20 5 EDBDHN C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])s2)CCCO1 ZINC000277520845 273204052 /nfs/dbraw/zinc/20/40/52/273204052.db2.gz LAHQZIDBDOJYJX-LLVKDONJSA-N 0 3 327.406 1.887 20 5 EDBDHN CN1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2C1 ZINC000284462733 274211025 /nfs/dbraw/zinc/21/10/25/274211025.db2.gz AOHMWNSZYQUFME-HOTGVXAUSA-N 0 3 349.387 1.366 20 5 EDBDHN CC(C)N(CCN1CCCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000345893135 275620472 /nfs/dbraw/zinc/62/04/72/275620472.db2.gz VSEVYCLYQSHMHV-UHFFFAOYSA-N 0 3 338.412 1.299 20 5 EDBDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000286569557 288036668 /nfs/dbraw/zinc/03/66/68/288036668.db2.gz DXNLXPAMLDLJMZ-SWLSCSKDSA-N 0 3 339.417 1.842 20 5 EDBDHN C[C@H](N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)NCCF ZINC000337545559 290044687 /nfs/dbraw/zinc/04/46/87/290044687.db2.gz LLVHJNIAXKLYGT-SDDRHHMPSA-N 0 3 327.360 1.339 20 5 EDBDHN Cc1c(CC(=O)N[C@H]2CCCN(CCCO)C2)cccc1[N+](=O)[O-] ZINC000295542728 303232715 /nfs/dbraw/zinc/23/27/15/303232715.db2.gz SGNWZFOOWYVOJT-HNNXBMFYSA-N 0 3 335.404 1.409 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@@H]2CNCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000423689556 304904356 /nfs/dbraw/zinc/90/43/56/304904356.db2.gz CIYNJFWPHRDZCI-LLVKDONJSA-N 0 3 343.286 1.108 20 5 EDBDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000429770889 305036690 /nfs/dbraw/zinc/03/66/90/305036690.db2.gz GFJGGWDJTBSSOJ-UONOGXRCSA-N 0 3 334.376 1.062 20 5 EDBDHN C[C@H]1[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCN1C ZINC000445252983 305258398 /nfs/dbraw/zinc/25/83/98/305258398.db2.gz SOLWLKTXEQFIEW-CMPLNLGQSA-N 0 3 346.391 1.753 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@@H](CO)[C@H]3CCCO3)o2)c1 ZINC000447911432 305288780 /nfs/dbraw/zinc/28/87/80/305288780.db2.gz DZQQDGDISIZIEY-LSDHHAIUSA-N 0 3 347.371 1.922 20 5 EDBDHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCCCN3CCO)cc2N1 ZINC000450609723 305330912 /nfs/dbraw/zinc/33/09/12/305330912.db2.gz GCPKISJZAFIOAA-CYBMUJFWSA-N 0 3 348.403 1.738 20 5 EDBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000516137342 305733691 /nfs/dbraw/zinc/73/36/91/305733691.db2.gz AXOFRMIUYBYMFG-AWEZNQCLSA-N 0 3 330.388 1.836 20 5 EDBDHN CC1(C)c2ccccc2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000552678703 306180686 /nfs/dbraw/zinc/18/06/86/306180686.db2.gz ZFFMLYOIXQKWLD-HNNXBMFYSA-N 0 3 330.388 1.946 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000449450861 447373605 /nfs/dbraw/zinc/37/36/05/447373605.db2.gz PGPVIZSWHDSTNF-LLVKDONJSA-N 0 3 340.376 1.786 20 5 EDBDHN CCCCNC(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664935 441247462 /nfs/dbraw/zinc/24/74/62/441247462.db2.gz WGOGEXPIDDKETQ-CYBMUJFWSA-N 0 3 335.408 1.782 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCN(C)C1 ZINC000108338628 441447505 /nfs/dbraw/zinc/44/75/05/441447505.db2.gz UGECQEVEBNBRGV-QWHCGFSZSA-N 0 3 348.403 1.171 20 5 EDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000065512326 441448099 /nfs/dbraw/zinc/44/80/99/441448099.db2.gz HFSALNZUZWMZFS-KRWDZBQOSA-N 0 3 337.420 1.498 20 5 EDBDHN CCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000112983722 441574375 /nfs/dbraw/zinc/57/43/75/441574375.db2.gz QDDGJHWVKGKAFP-UHFFFAOYSA-N 0 3 346.431 1.975 20 5 EDBDHN C[C@H](O)[C@H]1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000089928077 441597303 /nfs/dbraw/zinc/59/73/03/441597303.db2.gz GSOOISFFSWQJLU-STQMWFEESA-N 0 3 349.387 1.986 20 5 EDBDHN C[C@H](CC1CC1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015544 441614598 /nfs/dbraw/zinc/61/45/98/441614598.db2.gz UVSJLRNJFKMVLQ-LLVKDONJSA-N 0 3 327.406 1.651 20 5 EDBDHN Cc1ccc([C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000067267045 441621689 /nfs/dbraw/zinc/62/16/89/441621689.db2.gz RWGGBYUNVSGZKU-INIZCTEOSA-N 0 3 345.403 1.909 20 5 EDBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000041423111 441653290 /nfs/dbraw/zinc/65/32/90/441653290.db2.gz IQIJJOGKIBMHHV-UHFFFAOYSA-N 0 3 325.365 1.302 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000041443879 441655364 /nfs/dbraw/zinc/65/53/64/441655364.db2.gz ZNOCFFYQVZVZTL-UHFFFAOYSA-N 0 3 334.420 1.661 20 5 EDBDHN COC(=O)c1cc(C(=O)N2CCC[C@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000068342032 441780320 /nfs/dbraw/zinc/78/03/20/441780320.db2.gz MKQMJPLKUDRUCJ-ZDUSSCGKSA-N 0 3 335.360 1.548 20 5 EDBDHN CN1CCC(O)(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000077450384 441782215 /nfs/dbraw/zinc/78/22/15/441782215.db2.gz FRAIHJOBQGOCJM-UHFFFAOYSA-N 0 3 345.346 1.743 20 5 EDBDHN CCc1ccc(C(=O)NCCN2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000174229210 441905545 /nfs/dbraw/zinc/90/55/45/441905545.db2.gz UUWGDDKWSUHHKP-UHFFFAOYSA-N 0 3 334.420 1.525 20 5 EDBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000144142507 441879469 /nfs/dbraw/zinc/87/94/69/441879469.db2.gz BKJQDLMIKBXXFU-DZGCQCFKSA-N 0 3 335.404 1.958 20 5 EDBDHN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000144456833 441883638 /nfs/dbraw/zinc/88/36/38/441883638.db2.gz CLMLPHYBLHBEBO-ZFWWWQNUSA-N 0 3 335.404 1.958 20 5 EDBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000093583157 441890949 /nfs/dbraw/zinc/89/09/49/441890949.db2.gz UIFMXCGZXBDMIS-MQDFFIGUSA-N 0 3 335.404 1.233 20 5 EDBDHN Cc1cnc(NCCCN2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000078657449 441958938 /nfs/dbraw/zinc/95/89/38/441958938.db2.gz SYOBBOCVNKERTI-CYBMUJFWSA-N 0 3 335.408 1.653 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078659416 441959070 /nfs/dbraw/zinc/95/90/70/441959070.db2.gz JDJWXRWHABABOQ-UHFFFAOYSA-N 0 3 335.408 1.289 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000151603466 442091249 /nfs/dbraw/zinc/09/12/49/442091249.db2.gz SJKSGWNAKYOOBO-INIZCTEOSA-N 0 3 332.404 1.646 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000120495508 442083768 /nfs/dbraw/zinc/08/37/68/442083768.db2.gz XCFJUDJRFQXZFP-OLZOCXBDSA-N 0 3 348.403 1.783 20 5 EDBDHN CN(C)Cc1ccc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000129097681 442301196 /nfs/dbraw/zinc/30/11/96/442301196.db2.gz QPOXNIHFHUJWJE-UHFFFAOYSA-N 0 3 345.403 1.904 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C)(O)CC1 ZINC000177303774 442326399 /nfs/dbraw/zinc/32/63/99/442326399.db2.gz JOBKTEBFZIFMAR-UHFFFAOYSA-N 0 3 337.376 1.779 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)NCCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000192146316 442602536 /nfs/dbraw/zinc/60/25/36/442602536.db2.gz KKAKVUADBXITLR-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN CC1CCN(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000136173305 442654256 /nfs/dbraw/zinc/65/42/56/442654256.db2.gz ZGBALPDBOJXHOT-UHFFFAOYSA-N 0 3 346.431 1.975 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000173242986 442631393 /nfs/dbraw/zinc/63/13/93/442631393.db2.gz SHMHRVXNLWEZJN-GXTWGEPZSA-N 0 3 341.433 1.864 20 5 EDBDHN CS(=O)(=O)CCOCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193008049 442704799 /nfs/dbraw/zinc/70/47/99/442704799.db2.gz KXJXXNSYJDMUJW-HNNXBMFYSA-N 0 3 342.417 1.623 20 5 EDBDHN CN1CCC(N(Cc2ccco2)C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000192530725 442659175 /nfs/dbraw/zinc/65/91/75/442659175.db2.gz GCQAPXDMBUJEQK-UHFFFAOYSA-N 0 3 347.375 1.507 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(CO)CCCC2)cc1 ZINC000182208197 442745697 /nfs/dbraw/zinc/74/56/97/442745697.db2.gz PDPLYVXWROKZMY-UHFFFAOYSA-N 0 3 328.390 1.263 20 5 EDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000246624803 442797492 /nfs/dbraw/zinc/79/74/92/442797492.db2.gz KBDBEVWVABDKDU-STQMWFEESA-N 0 3 338.412 1.211 20 5 EDBDHN COc1cc(CCNC(=O)/C=C/CN(C)C)c([N+](=O)[O-])cc1OC ZINC000265623466 442850540 /nfs/dbraw/zinc/85/05/40/442850540.db2.gz HVZXPGOPUNVGCF-AATRIKPKSA-N 0 3 337.376 1.389 20 5 EDBDHN C[C@H](C(=O)NC[C@@](C)(O)CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000183476279 442934105 /nfs/dbraw/zinc/93/41/05/442934105.db2.gz ZXEGAGQEKUVXND-ZUZCIYMTSA-N 0 3 327.356 1.266 20 5 EDBDHN COCCN1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000194942464 442970943 /nfs/dbraw/zinc/97/09/43/442970943.db2.gz FJKFLZHVVGKRKH-UHFFFAOYSA-N 0 3 336.392 1.234 20 5 EDBDHN CN(C)C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000266335007 443100811 /nfs/dbraw/zinc/10/08/11/443100811.db2.gz HKIMAOUJFFEVAF-NSHDSACASA-N 0 3 331.319 1.963 20 5 EDBDHN CC(=O)N1CCN(CCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000268854028 443127372 /nfs/dbraw/zinc/12/73/72/443127372.db2.gz XEWBBGRISMQBDK-CQSZACIVSA-N 0 3 334.420 1.718 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000266534409 443159775 /nfs/dbraw/zinc/15/97/75/443159775.db2.gz NKYSNTAMKXNTTH-XJKSGUPXSA-N 0 3 334.351 1.781 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000382488605 319123954 /nfs/dbraw/zinc/12/39/54/319123954.db2.gz HIRTWBGBMABAFX-ZJUUUORDSA-N 0 3 329.378 1.009 20 5 EDBDHN CCN1CC[C@H](NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412867532 319244962 /nfs/dbraw/zinc/24/49/62/319244962.db2.gz ATHAXUYEVAFRDY-JTQLQIEISA-N 0 3 325.340 1.495 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CNCCC1(F)F ZINC000414661772 319337930 /nfs/dbraw/zinc/33/79/30/319337930.db2.gz XXKVYUZYIZCTAC-NSHDSACASA-N 0 3 330.291 1.722 20 5 EDBDHN COCCCN(C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269543987 443343723 /nfs/dbraw/zinc/34/37/23/443343723.db2.gz WAEVOIZVCDRWSU-UHFFFAOYSA-N 0 3 327.385 1.139 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000267096988 443340852 /nfs/dbraw/zinc/34/08/52/443340852.db2.gz JVEGLZPPRQUZAI-OAHLLOKOSA-N 0 3 339.417 1.771 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000264601415 443342581 /nfs/dbraw/zinc/34/25/81/443342581.db2.gz FEUOJUHHQBXSRA-GFCCVEGCSA-N 0 3 327.406 1.618 20 5 EDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000282476284 443350480 /nfs/dbraw/zinc/35/04/80/443350480.db2.gz OJGKMAWPSTVPND-UHFFFAOYSA-N 0 3 346.343 1.839 20 5 EDBDHN CC(C)c1n[nH]c(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269609906 443363414 /nfs/dbraw/zinc/36/34/14/443363414.db2.gz QVXZQYGIHHXNAL-NWDGAFQWSA-N 0 3 335.408 1.998 20 5 EDBDHN C[NH2+][C@@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420426160 319617154 /nfs/dbraw/zinc/61/71/54/319617154.db2.gz JMZVWXBADNGGGB-ZETCQYMHSA-N 0 3 341.311 1.500 20 5 EDBDHN COC(=O)[C@H]1CC12CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000269686171 443395806 /nfs/dbraw/zinc/39/58/06/443395806.db2.gz ZVCDRSYFXGWPSR-HUUCEWRRSA-N 0 3 334.372 1.903 20 5 EDBDHN C[C@H]1OCC[C@@]1(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000278700025 443405431 /nfs/dbraw/zinc/40/54/31/443405431.db2.gz QUDDJNYUIGLCDZ-YMTOWFKASA-N 0 3 332.303 1.826 20 5 EDBDHN C[C@@H]1CCCN(CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000272879696 443476930 /nfs/dbraw/zinc/47/69/30/443476930.db2.gz GOFSQBCWPNLNMG-LLVKDONJSA-N 0 3 342.421 1.386 20 5 EDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1[N+](=O)[O-] ZINC000271774119 443512746 /nfs/dbraw/zinc/51/27/46/443512746.db2.gz RASPJGVPRLLARM-JQWIXIFHSA-N 0 3 335.320 1.411 20 5 EDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000273044486 443527354 /nfs/dbraw/zinc/52/73/54/443527354.db2.gz PRLNZFFSTKYLHI-DOTOQJQBSA-N 0 3 346.383 2.000 20 5 EDBDHN C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000265094905 443531094 /nfs/dbraw/zinc/53/10/94/443531094.db2.gz DTQLAPQGZGACJB-LBPRGKRZSA-N 0 3 338.383 1.347 20 5 EDBDHN Nc1nc(NCc2ccccc2CN2CC[C@H](O)C2)ncc1[N+](=O)[O-] ZINC000273078377 443532298 /nfs/dbraw/zinc/53/22/98/443532298.db2.gz GULVZNIRZRRBMX-ZDUSSCGKSA-N 0 3 344.375 1.146 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272259435 443572118 /nfs/dbraw/zinc/57/21/18/443572118.db2.gz ALHNZCZEVKGIMO-XJKSGUPXSA-N 0 3 332.404 1.949 20 5 EDBDHN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN2CCC[C@@H]2C1 ZINC000283399951 443623460 /nfs/dbraw/zinc/62/34/60/443623460.db2.gz FINZEHWGBDTQNM-CQSZACIVSA-N 0 3 328.376 1.675 20 5 EDBDHN C[C@@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CN1C1CC1 ZINC000267851028 443598153 /nfs/dbraw/zinc/59/81/53/443598153.db2.gz FQCUUNLVKODIHU-NXEZZACHSA-N 0 3 340.405 1.279 20 5 EDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000440065575 320060825 /nfs/dbraw/zinc/06/08/25/320060825.db2.gz WACFWBIYBNOQCS-NSHDSACASA-N 0 3 329.422 1.912 20 5 EDBDHN C[C@@H]1CCN(C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448981035 320169876 /nfs/dbraw/zinc/16/98/76/320169876.db2.gz RMBNEMFSVBAVGP-CYBMUJFWSA-N 0 3 343.387 1.947 20 5 EDBDHN CCOc1ccc(C(=O)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000449662992 320197466 /nfs/dbraw/zinc/19/74/66/320197466.db2.gz NGLBOPFMRGOXFJ-GFCCVEGCSA-N 0 3 329.303 1.721 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450704567 320225450 /nfs/dbraw/zinc/22/54/50/320225450.db2.gz VTLPJCVIXLZGKD-UHFFFAOYSA-N 0 3 343.387 1.947 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000458710673 320339083 /nfs/dbraw/zinc/33/90/83/320339083.db2.gz YMAMIGBYYKBIFW-YGRLFVJLSA-N 0 3 344.375 1.317 20 5 EDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCN1CCCO ZINC000493661689 320396957 /nfs/dbraw/zinc/39/69/57/320396957.db2.gz OOELFJDOQGPTNS-XITLMJRVSA-N 0 3 333.388 1.571 20 5 EDBDHN COC(=O)C1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298524527 443791434 /nfs/dbraw/zinc/79/14/34/443791434.db2.gz STMXTKDVXHZFQH-UHFFFAOYSA-N 0 3 349.387 1.600 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@]3(CCN(C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000292639591 443805526 /nfs/dbraw/zinc/80/55/26/443805526.db2.gz WQDZEXCUTMLDCI-INIZCTEOSA-N 0 3 335.408 1.352 20 5 EDBDHN C[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285173574 443882981 /nfs/dbraw/zinc/88/29/81/443882981.db2.gz MZWXCILIUYUREZ-ZYHUDNBSSA-N 0 3 342.421 1.252 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])CC1CCS(=O)(=O)CC1 ZINC000285352281 443953042 /nfs/dbraw/zinc/95/30/42/443953042.db2.gz PSKDQFDOELQCMG-UHFFFAOYSA-N 0 3 326.418 1.894 20 5 EDBDHN CN(C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299312735 444014076 /nfs/dbraw/zinc/01/40/76/444014076.db2.gz DMFSPHWDDMWEOI-UHFFFAOYSA-N 0 3 332.360 1.793 20 5 EDBDHN Cc1n[n-]c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000299534925 444072025 /nfs/dbraw/zinc/07/20/25/444072025.db2.gz MSVWQQQLONAERF-LLVKDONJSA-N 0 3 333.348 1.786 20 5 EDBDHN O=C1[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000565653539 321195145 /nfs/dbraw/zinc/19/51/45/321195145.db2.gz FLHCQMRHGVDYQK-BFHYXJOUSA-N 0 3 349.387 1.078 20 5 EDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000340507678 444416768 /nfs/dbraw/zinc/41/67/68/444416768.db2.gz XODQAVYHMYRHBG-WFASDCNBSA-N 0 3 342.417 1.916 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)N(C)C ZINC000297987008 444378257 /nfs/dbraw/zinc/37/82/57/444378257.db2.gz WRJLZXAJZYVZPR-UHFFFAOYSA-N 0 3 336.392 1.607 20 5 EDBDHN Cc1c(CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000331192481 444437908 /nfs/dbraw/zinc/43/79/08/444437908.db2.gz QKTDIVXOGCGESK-KGLIPLIRSA-N 0 3 341.433 1.853 20 5 EDBDHN C[C@@H]1C[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000579828083 321974645 /nfs/dbraw/zinc/97/46/45/321974645.db2.gz CLIXJWNRXFSXPT-AGIUHOORSA-N 0 3 342.417 1.772 20 5 EDBDHN CN[C@@H](C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580449570 322053659 /nfs/dbraw/zinc/05/36/59/322053659.db2.gz UGXSXDVUOIBXFU-QMMMGPOBSA-N 0 3 334.298 1.750 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000581007396 322123581 /nfs/dbraw/zinc/12/35/81/322123581.db2.gz IGZXLKNINZQLTG-NOXHYTERSA-N 0 3 340.376 1.117 20 5 EDBDHN CCN1CCC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000342220612 444571796 /nfs/dbraw/zinc/57/17/96/444571796.db2.gz BOPHBRKEURMBNX-CYBMUJFWSA-N 0 3 343.387 1.995 20 5 EDBDHN COc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000341008487 444628338 /nfs/dbraw/zinc/62/83/38/444628338.db2.gz CLNWLZMXXNRROU-WCQYABFASA-N 0 3 336.392 1.885 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000340997023 444621447 /nfs/dbraw/zinc/62/14/47/444621447.db2.gz UWLYASYIIWSLQW-STQMWFEESA-N 0 3 335.408 1.789 20 5 EDBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000343961475 444695660 /nfs/dbraw/zinc/69/56/60/444695660.db2.gz BSFJUZZLOPQFKB-CQSZACIVSA-N 0 3 348.403 1.137 20 5 EDBDHN CS[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000342539606 444737030 /nfs/dbraw/zinc/73/70/30/444737030.db2.gz GEPXMJDMJFJEFZ-GJZGRUSLSA-N 0 3 325.434 1.951 20 5 EDBDHN C[C@H]1C[C@H](CO)CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000344126343 444795673 /nfs/dbraw/zinc/79/56/73/444795673.db2.gz HFPVLOBWDLHOMQ-QWHCGFSZSA-N 0 3 349.387 1.986 20 5 EDBDHN CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)N(C)C)cc1 ZINC000338838517 444881828 /nfs/dbraw/zinc/88/18/28/444881828.db2.gz VOIKSKATGAXDHD-LBPRGKRZSA-N 0 3 348.432 1.826 20 5 EDBDHN CN(CCCC(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000341577771 444904462 /nfs/dbraw/zinc/90/44/62/444904462.db2.gz NSLSBNPPWJITRY-UHFFFAOYSA-N 0 3 339.392 1.810 20 5 EDBDHN COc1cc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000330549982 445030218 /nfs/dbraw/zinc/03/02/18/445030218.db2.gz RPZLWCVDSKKZTE-GXTWGEPZSA-N 0 3 339.417 1.721 20 5 EDBDHN CN(C)CCOC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000330738992 445120700 /nfs/dbraw/zinc/12/07/00/445120700.db2.gz ZULGZOHXLLXKIY-UHFFFAOYSA-N 0 3 327.406 1.839 20 5 EDBDHN CCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)CC1 ZINC000330838832 445162003 /nfs/dbraw/zinc/16/20/03/445162003.db2.gz MNNPWAGMRCWWOJ-UHFFFAOYSA-N 0 3 342.783 1.010 20 5 EDBDHN O=C(NCC1CCN(CCO)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000351765003 445312601 /nfs/dbraw/zinc/31/26/01/445312601.db2.gz BXJSUGWOFQPUOL-UHFFFAOYSA-N 0 3 340.355 1.560 20 5 EDBDHN CC(C)[C@H]1CN(C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348545619 445322439 /nfs/dbraw/zinc/32/24/39/445322439.db2.gz VYVCEADRWPNQOB-NVXWUHKLSA-N 0 3 337.420 1.607 20 5 EDBDHN COc1ccc(NC(=O)CN[C@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000348149953 445289188 /nfs/dbraw/zinc/28/91/88/445289188.db2.gz XGCGHNMRDSRESC-VXGBXAGGSA-N 0 3 337.376 1.947 20 5 EDBDHN CCc1ccc(C(=O)N2CC[C@H](N(C)CCO)[C@H]2C)cc1[N+](=O)[O-] ZINC000356073073 445603776 /nfs/dbraw/zinc/60/37/76/445603776.db2.gz XBTZRJPZBBQBLI-DOMZBBRYSA-N 0 3 335.404 1.684 20 5 EDBDHN Cn1ccnc1[C@H](NC[C@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353676821 445703620 /nfs/dbraw/zinc/70/36/20/445703620.db2.gz WWUMHKUHMIORTB-NVXWUHKLSA-N 0 3 345.403 1.074 20 5 EDBDHN Cn1cc(CNC[C@H]2CC[C@H](CO)O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353694605 445711918 /nfs/dbraw/zinc/71/19/18/445711918.db2.gz ZEGUCZVBFNDJNA-HZPDHXFCSA-N 0 3 346.387 1.625 20 5 EDBDHN Cc1c(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cccc1[N+](=O)[O-] ZINC000363217927 445726365 /nfs/dbraw/zinc/72/63/65/445726365.db2.gz CXDKGEXUMRVYLI-OAHLLOKOSA-N 0 3 346.431 1.755 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000353733617 445730504 /nfs/dbraw/zinc/73/05/04/445730504.db2.gz ANDUNLKUHITKQX-SMDDNHRTSA-N 0 3 338.360 1.804 20 5 EDBDHN COC(=O)COc1ccc(CNCC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000353739220 445733345 /nfs/dbraw/zinc/73/33/45/445733345.db2.gz OWJORZWESVFBLJ-UHFFFAOYSA-N 0 3 338.360 1.541 20 5 EDBDHN C[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)CN1 ZINC000356344135 445744319 /nfs/dbraw/zinc/74/43/19/445744319.db2.gz KWPFMSIUWXPBCW-QWRGUYRKSA-N 0 3 335.360 1.117 20 5 EDBDHN C[C@@H]1C[C@H](c2cccnc2)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000358790370 445776913 /nfs/dbraw/zinc/77/69/13/445776913.db2.gz JMBPVOWXZUPXRR-DAXOMENPSA-N 0 3 331.376 1.630 20 5 EDBDHN CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000363507401 445836983 /nfs/dbraw/zinc/83/69/83/445836983.db2.gz VWPUPOFZAAPSKC-IIAWOOMASA-N 0 3 337.424 1.101 20 5 EDBDHN CCN1CCCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365927861 445911303 /nfs/dbraw/zinc/91/13/03/445911303.db2.gz MKGVNHJIXIZULW-CQSZACIVSA-N 0 3 335.408 1.829 20 5 EDBDHN Cc1cc(Sc2nnnn2C[C@@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000356782955 446015026 /nfs/dbraw/zinc/01/50/26/446015026.db2.gz SUJKEBZGHUJBHM-LLVKDONJSA-N 0 3 334.405 1.993 20 5 EDBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000365714375 446312280 /nfs/dbraw/zinc/31/22/80/446312280.db2.gz WRRPMGUCLKXQJB-LBPRGKRZSA-N 0 3 331.332 1.237 20 5 EDBDHN CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H](CC[NH3+])C(F)F)s1 ZINC000420272922 446442911 /nfs/dbraw/zinc/44/29/11/446442911.db2.gz WYIDFGSPPOZEQK-RXMQYKEDSA-N 0 3 329.350 1.454 20 5 EDBDHN CN1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000411160075 446413800 /nfs/dbraw/zinc/41/38/00/446413800.db2.gz WFXSAGNHTHEBQY-UHFFFAOYSA-N 0 3 334.376 1.530 20 5 EDBDHN NC(=O)c1ccc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000367018868 446467001 /nfs/dbraw/zinc/46/70/01/446467001.db2.gz DEUPIOZPWVAJCU-UONOGXRCSA-N 0 3 346.387 1.184 20 5 EDBDHN Cn1cc(CNC[C@@]2(C)CCC(=O)N2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000453586514 446565337 /nfs/dbraw/zinc/56/53/37/446565337.db2.gz IGPQVMOULFWIFJ-QGZVFWFLSA-N 0 3 343.387 1.754 20 5 EDBDHN CC(C)c1n[n-]c(C(=O)N[C@H](C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000433744810 446593478 /nfs/dbraw/zinc/59/34/78/446593478.db2.gz AKHMRXVJWUHWOG-LLVKDONJSA-N 0 3 339.396 1.282 20 5 EDBDHN Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000375291130 446697817 /nfs/dbraw/zinc/69/78/17/446697817.db2.gz DVNKRYBMYXLJAW-CXAGYDPISA-N 0 3 343.387 1.746 20 5 EDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000421029594 447000090 /nfs/dbraw/zinc/00/00/90/447000090.db2.gz VKAXWKMGIXUXKT-UHFFFAOYSA-N 0 3 327.406 1.605 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421294121 447107503 /nfs/dbraw/zinc/10/75/03/447107503.db2.gz FSNMRDBXWUCFRJ-CYBMUJFWSA-N 0 3 334.376 1.394 20 5 EDBDHN CCN(CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(C)C ZINC000444177700 447089559 /nfs/dbraw/zinc/08/95/59/447089559.db2.gz ZIINEDJQUNTZML-UHFFFAOYSA-N 0 3 329.422 1.912 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000455660536 447200894 /nfs/dbraw/zinc/20/08/94/447200894.db2.gz RSXUGZNQYVIUOW-UHFFFAOYSA-N 0 3 346.391 1.717 20 5 EDBDHN COC(=O)c1cc(C(=O)N(C)C[C@@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000421701870 447224049 /nfs/dbraw/zinc/22/40/49/447224049.db2.gz IQKHMDNRHXVADE-ZDUSSCGKSA-N 0 3 335.360 1.548 20 5 EDBDHN Cc1nc(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450421385 447485803 /nfs/dbraw/zinc/48/58/03/447485803.db2.gz SOFFXUVEUDXXPQ-LBPRGKRZSA-N 0 3 334.424 1.298 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000450809133 447583841 /nfs/dbraw/zinc/58/38/41/447583841.db2.gz JLFJUASGOMZHJZ-CYBMUJFWSA-N 0 3 342.403 1.925 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC3(CCC3)[C@H]3COC[C@H]32)c1 ZINC000459725539 447753628 /nfs/dbraw/zinc/75/36/28/447753628.db2.gz QBZAWBZQONAYGK-HYVNUMGLSA-N 0 3 348.399 1.835 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)C[C@@H](O)C1 ZINC000452072704 447810707 /nfs/dbraw/zinc/81/07/07/447810707.db2.gz XOMYURFDEBQHTC-DGCLKSJQSA-N 0 3 337.376 1.635 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000491413695 448018832 /nfs/dbraw/zinc/01/88/32/448018832.db2.gz GFZZAZSKVYHMHQ-XQRVVYSFSA-N 0 3 347.350 2.144 20 5 EDBDHN COC(=O)N[C@@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000497275241 448028933 /nfs/dbraw/zinc/02/89/33/448028933.db2.gz BGTBTMIGKIZAFS-HOTUBEGUSA-N 0 3 328.296 1.820 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000531481259 448090502 /nfs/dbraw/zinc/09/05/02/448090502.db2.gz ZMLRVBQRIWSISM-OLZOCXBDSA-N 0 3 348.403 1.898 20 5 EDBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)Cn2cccn2)cc(C(F)(F)F)c1 ZINC000571158291 448113058 /nfs/dbraw/zinc/11/30/58/448113058.db2.gz CFPSCOQBWUTVIJ-CYBMUJFWSA-N 0 3 344.293 1.961 20 5 EDBDHN CNc1nccc(C(=O)NCc2ccc(CN(C)C)cc2)c1[N+](=O)[O-] ZINC000565174031 448357429 /nfs/dbraw/zinc/35/74/29/448357429.db2.gz UOMRBIUIOHFNTQ-UHFFFAOYSA-N 0 3 343.387 2.023 20 5 EDBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccco1 ZINC000564470962 448331314 /nfs/dbraw/zinc/33/13/14/448331314.db2.gz OAYWCDJUFDXURE-PWSUYJOCSA-N 0 3 347.375 2.024 20 5 EDBDHN CN1CCN(CCCCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000577816721 448390963 /nfs/dbraw/zinc/39/09/63/448390963.db2.gz PQLPUVZWDLWIDH-UHFFFAOYSA-N 0 3 332.408 1.333 20 5 EDBDHN Cn1cncc1CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572658646 448432767 /nfs/dbraw/zinc/43/27/67/448432767.db2.gz BJBLTEAAWRFHFT-CYBMUJFWSA-N 0 3 330.392 1.842 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC2CCOCC2)cc1 ZINC000591739492 448477895 /nfs/dbraw/zinc/47/78/95/448477895.db2.gz YGKWUVMUEPFJNP-UHFFFAOYSA-N 0 3 342.417 1.775 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000591985743 448610893 /nfs/dbraw/zinc/61/08/93/448610893.db2.gz QZKGLDADJXIXIF-SECBINFHSA-N 0 3 327.772 1.199 20 5 EDBDHN CC[C@@H](C)N(C)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000574032448 448773960 /nfs/dbraw/zinc/77/39/60/448773960.db2.gz CZKVWINUTSHKGU-CYBMUJFWSA-N 0 3 343.449 1.688 20 5 EDBDHN CC1(C)CCN(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000567914139 448782914 /nfs/dbraw/zinc/78/29/14/448782914.db2.gz MNMXEPHKNNWZOE-UHFFFAOYSA-N 0 3 335.408 1.687 20 5 EDBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000592432744 448834296 /nfs/dbraw/zinc/83/42/96/448834296.db2.gz UQTMGESNWONIIJ-LSDHHAIUSA-N 0 3 344.433 1.754 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CO)Cc2ccccc2)c1 ZINC000592432060 448834371 /nfs/dbraw/zinc/83/43/71/448834371.db2.gz KDWSROUZSKXURO-WBVHZDCISA-N 0 3 346.383 1.528 20 5 EDBDHN CCc1ccc(S(=O)(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000574396453 448863748 /nfs/dbraw/zinc/86/37/48/448863748.db2.gz TZAZOLUSWQCJHG-NSHDSACASA-N 0 3 327.406 1.387 20 5 EDBDHN Nc1nccc(C(=O)N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000548091710 448982915 /nfs/dbraw/zinc/98/29/15/448982915.db2.gz ZCHYQELYJJNJPM-UHFFFAOYSA-N 0 3 333.392 1.663 20 5 EDBDHN CC(C)Oc1nc(NC[C@@H]2CCCCN2CCO)ccc1[N+](=O)[O-] ZINC000582132513 449020400 /nfs/dbraw/zinc/02/04/00/449020400.db2.gz OTKULDJCLMSADX-ZDUSSCGKSA-N 0 3 338.408 2.036 20 5 EDBDHN CN1CC[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2)C1 ZINC000589879217 449072055 /nfs/dbraw/zinc/07/20/55/449072055.db2.gz MRFXNFWTKPTOGX-KRWDZBQOSA-N 0 3 345.403 1.317 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)c1cccc([N+](=O)[O-])c1N)CCO2 ZINC000592898589 449042487 /nfs/dbraw/zinc/04/24/87/449042487.db2.gz IRINSVLSPDDILJ-UHFFFAOYSA-N 0 3 334.376 1.114 20 5 EDBDHN CN(C)c1nccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000522059451 449048066 /nfs/dbraw/zinc/04/80/66/449048066.db2.gz GFCCEMFJOHQDPR-ZIAGYGMSSA-N 0 3 345.407 1.921 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(O)(CO)CC1 ZINC000595732309 449136845 /nfs/dbraw/zinc/13/68/45/449136845.db2.gz LWXGBBIGQIBZJL-UHFFFAOYSA-N 0 3 337.376 1.051 20 5 EDBDHN COc1cc(OCC(=O)N2CC[C@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590440821 449162402 /nfs/dbraw/zinc/16/24/02/449162402.db2.gz CCUCNADQXPYDIZ-FZMZJTMJSA-N 0 3 335.360 1.145 20 5 EDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@@]2(O)CCOC2)c1 ZINC000593671355 449141290 /nfs/dbraw/zinc/14/12/90/449141290.db2.gz QUXNQQFPKJIFLI-CQSZACIVSA-N 0 3 332.303 1.827 20 5 EDBDHN O=C1CCCN1C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595831881 449196464 /nfs/dbraw/zinc/19/64/64/449196464.db2.gz MJPTZYSJXUUCGB-AWEZNQCLSA-N 0 3 333.388 1.918 20 5 EDBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000590588460 449203502 /nfs/dbraw/zinc/20/35/02/449203502.db2.gz HNNYTBKYGYDMIR-TZMCWYRMSA-N 0 3 341.433 1.492 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)c1C ZINC000590589873 449205466 /nfs/dbraw/zinc/20/54/66/449205466.db2.gz RUCBWKMKKGKVBA-STQMWFEESA-N 0 3 341.433 1.925 20 5 EDBDHN CN(CCN1CCCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000593882358 449260372 /nfs/dbraw/zinc/26/03/72/449260372.db2.gz IWSYYYQJMILYEE-UHFFFAOYSA-N 0 3 335.360 1.881 20 5 EDBDHN O=C([C@@H]1CN2CCC[C@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602131858 449369841 /nfs/dbraw/zinc/36/98/41/449369841.db2.gz DKWGIDMIMLXKAH-IRXDYDNUSA-N 0 3 345.399 1.949 20 5 EDBDHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000600621497 449464604 /nfs/dbraw/zinc/46/46/04/449464604.db2.gz BKOVWPKYLBQFMG-CWRNSKLLSA-N 0 3 348.403 1.670 20 5 EDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000600839948 449572389 /nfs/dbraw/zinc/57/23/89/449572389.db2.gz XZLDCLDYVCESEB-QGZVFWFLSA-N 0 3 346.431 1.722 20 5 EDBDHN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCCNCC1 ZINC000602425741 449577231 /nfs/dbraw/zinc/57/72/31/449577231.db2.gz UVIUXHMYZIMGEC-UHFFFAOYSA-N 0 3 328.166 1.793 20 5 EDBDHN COC(=O)COc1ccc(CN(C[C@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594614399 449595950 /nfs/dbraw/zinc/59/59/50/449595950.db2.gz GLHFFJLVCSSLRJ-NSHDSACASA-N 0 3 338.360 1.492 20 5 EDBDHN Cn1ncc(C2CC2)c1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594730146 449654064 /nfs/dbraw/zinc/65/40/64/449654064.db2.gz BTKHHJDLVTVADW-ZDUSSCGKSA-N 0 3 346.387 1.735 20 5 EDBDHN CN(C)CCN1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1=O ZINC000599096668 449729595 /nfs/dbraw/zinc/72/95/95/449729595.db2.gz UTYATOPOFZIIKA-UHFFFAOYSA-N 0 3 343.387 1.353 20 5 EDBDHN CC(C)C[C@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000601191442 449741654 /nfs/dbraw/zinc/74/16/54/449741654.db2.gz JBQGMISGSYIJDO-CABCVRRESA-N 0 3 349.435 1.979 20 5 EDBDHN O=C1CC[C@H](N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000602681091 449747434 /nfs/dbraw/zinc/74/74/34/449747434.db2.gz JLUUIICVYRIPCN-INIZCTEOSA-N 0 3 346.431 1.424 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@](CO)(c2ccccc2)C1 ZINC000602837492 449847021 /nfs/dbraw/zinc/84/70/21/449847021.db2.gz MZXAJJYCMARTCR-KRWDZBQOSA-N 0 3 330.388 1.736 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000602810448 449825616 /nfs/dbraw/zinc/82/56/16/449825616.db2.gz FVZGOPGXIVPOHH-JTQLQIEISA-N 0 3 349.313 1.100 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]CCC2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601328812 449837145 /nfs/dbraw/zinc/83/71/45/449837145.db2.gz ZXNLEEACBCSEND-UHFFFAOYSA-N 0 3 347.462 1.975 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](N2CCOCC2)CC1 ZINC000602827093 449838396 /nfs/dbraw/zinc/83/83/96/449838396.db2.gz PQUUJQPGQQJUJK-OAHLLOKOSA-N 0 3 337.424 1.286 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)CN1CCN(C)CC1 ZINC000595019538 449842345 /nfs/dbraw/zinc/84/23/45/449842345.db2.gz QPBFXJHZCNRYGT-ZIAGYGMSSA-N 0 3 336.436 1.890 20 5 EDBDHN CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000597190441 449865020 /nfs/dbraw/zinc/86/50/20/449865020.db2.gz JZUSXGRZEDXGJO-NJZAAPMLSA-N 0 3 342.417 1.318 20 5 EDBDHN CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCN(C)CC1 ZINC000609138229 449965632 /nfs/dbraw/zinc/96/56/32/449965632.db2.gz YVMPJWPYQRVCLA-UHFFFAOYSA-N 0 3 335.360 1.532 20 5 EDBDHN COc1ccc(CNC(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000609399555 450024421 /nfs/dbraw/zinc/02/44/21/450024421.db2.gz FXCMIOIOTAZNBE-ZDUSSCGKSA-N 0 3 336.392 1.744 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599627257 450113321 /nfs/dbraw/zinc/11/33/21/450113321.db2.gz WBVQZDPXKFOJRU-UDKBDQPSSA-N 0 3 337.376 1.943 20 5 EDBDHN CN(C)C[C@@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597652393 450172081 /nfs/dbraw/zinc/17/20/81/450172081.db2.gz ASOWXYPZSMWSDD-JTQLQIEISA-N 0 3 327.356 1.050 20 5 EDBDHN CNc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000597697751 450205123 /nfs/dbraw/zinc/20/51/23/450205123.db2.gz ZWFVNOGGFDYVSM-HOCLYGCPSA-N 0 3 348.403 1.572 20 5 EDBDHN CN1CCC(Nc2ncnc(NC3CCN(C)CC3)c2[N+](=O)[O-])CC1 ZINC000603269669 450196460 /nfs/dbraw/zinc/19/64/60/450196460.db2.gz XEISECDVNVGSEZ-UHFFFAOYSA-N 0 3 349.439 1.397 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000153180240 533876109 /nfs/dbraw/zinc/87/61/09/533876109.db2.gz YVUAUAWFFOKUJS-RYUDHWBXSA-N 0 3 329.360 1.603 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000159979953 534538753 /nfs/dbraw/zinc/53/87/53/534538753.db2.gz OGSDCWDBKBJLKK-GFCCVEGCSA-N 0 3 341.795 1.825 20 5 EDBDHN CN1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000248128965 536454022 /nfs/dbraw/zinc/45/40/22/536454022.db2.gz WCVFHVVWSJZHNX-NVXWUHKLSA-N 0 3 343.387 1.743 20 5 EDBDHN CC[C@H](NCCNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000346796577 535902417 /nfs/dbraw/zinc/90/24/17/535902417.db2.gz QZVIIESXUKUQJX-AWEZNQCLSA-N 0 3 329.360 1.856 20 5 EDBDHN CN(C)CCOc1cnccc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000345306733 535917930 /nfs/dbraw/zinc/91/79/30/535917930.db2.gz YUKBPVNCLRJIIL-UHFFFAOYSA-N 0 3 344.371 1.860 20 5 EDBDHN COC(=O)/C=C\c1ccc(NC2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000729921408 578599788 /nfs/dbraw/zinc/59/97/88/578599788.db2.gz VKRNAFIPBRMZNX-HYXAFXHYSA-N 0 3 349.387 1.650 20 5 EDBDHN CNC(=O)c1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678776 578678474 /nfs/dbraw/zinc/67/84/74/578678474.db2.gz PJIVYKMEYOHKOK-MRXNPFEDSA-N 0 3 329.356 1.778 20 5 EDBDHN CN(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCN(C2CC2)C1 ZINC000732188081 578695973 /nfs/dbraw/zinc/69/59/73/578695973.db2.gz FPAMJXWDWFWZRK-LBPRGKRZSA-N 0 3 344.371 1.317 20 5 EDBDHN COc1cccc([C@H](O)CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000734512519 578819783 /nfs/dbraw/zinc/81/97/83/578819783.db2.gz RKBLHYYXRDXNAS-IAGOWNOFSA-N 0 3 332.356 1.960 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000774537401 580364800 /nfs/dbraw/zinc/36/48/00/580364800.db2.gz SWMDCEYXRNHSIN-KGLIPLIRSA-N 0 3 338.433 1.436 20 5 EDBDHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000782004163 580563567 /nfs/dbraw/zinc/56/35/67/580563567.db2.gz HZIUIOPEELNTIY-CZUORRHYSA-N 0 3 337.420 1.405 20 5 EDBDHN CCS(=O)(=O)CCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000788427870 580721207 /nfs/dbraw/zinc/72/12/07/580721207.db2.gz AQQSFOVVSFMQEU-NWDGAFQWSA-N 0 3 330.410 1.299 20 5 EDBDHN Cc1ccc(CNC(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000892156673 590828243 /nfs/dbraw/zinc/82/82/43/590828243.db2.gz QUPWGUPWTIJUDO-LBPRGKRZSA-N 0 3 328.319 1.700 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCN1CC[C@H](O)C1 ZINC000894833032 591434652 /nfs/dbraw/zinc/43/46/52/591434652.db2.gz NABMADVGEWTPCD-NSHDSACASA-N 0 3 336.779 1.697 20 5 EDBDHN CN(C)CC[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000895323968 591713249 /nfs/dbraw/zinc/71/32/49/591713249.db2.gz CHHLZAVIHOTYNJ-SNVBAGLBSA-N 0 3 347.462 1.838 20 5 EDBDHN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCN(C2CC2)CC1 ZINC000022500455 591890066 /nfs/dbraw/zinc/89/00/66/591890066.db2.gz NZZRFOPXQYQTEQ-UHFFFAOYSA-N 0 3 347.371 1.495 20 5 EDBDHN CC[C@H]1CN(C)CCN1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000840091584 593166525 /nfs/dbraw/zinc/16/65/25/593166525.db2.gz MXTNSSVZURNWCQ-LBPRGKRZSA-N 0 3 347.375 1.395 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](CO)CN1CCCC1 ZINC000808221345 593242087 /nfs/dbraw/zinc/24/20/87/593242087.db2.gz PVQDRIKKIAPIFE-AWEZNQCLSA-N 0 3 335.404 1.707 20 5 EDBDHN CN1CC[C@@H]2CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000840133125 593246728 /nfs/dbraw/zinc/24/67/28/593246728.db2.gz OTHIUIAILYBTLB-HIFRSBDPSA-N 0 3 328.376 1.447 20 5 EDBDHN Cc1nnc([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH]1 ZINC000839661073 593359453 /nfs/dbraw/zinc/35/94/53/593359453.db2.gz JRKKEAYLLLHQFZ-LLVKDONJSA-N 0 3 332.320 1.919 20 5 EDBDHN CSc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813102256 593517389 /nfs/dbraw/zinc/51/73/89/593517389.db2.gz CSIYKTUEXYCNQL-GHMZBOCLSA-N 0 3 338.385 1.970 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813107270 593518263 /nfs/dbraw/zinc/51/82/63/593518263.db2.gz ODVREKAYDWBQNH-MRVPVSSYSA-N 0 3 328.277 1.824 20 5 EDBDHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(C)[N+](=O)[O-] ZINC000813109230 593518276 /nfs/dbraw/zinc/51/82/76/593518276.db2.gz HESFUQHRUXKLBT-ZUZCIYMTSA-N 0 3 333.344 1.424 20 5 EDBDHN CC1(C)OC[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000819155675 593741935 /nfs/dbraw/zinc/74/19/35/593741935.db2.gz PBFHURCUIFOVEG-VXGBXAGGSA-N 0 3 326.349 1.076 20 5 EDBDHN C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820752427 593880924 /nfs/dbraw/zinc/88/09/24/593880924.db2.gz MXWAEELEROZUFY-QPUJVOFHSA-N 0 3 330.352 1.065 20 5 EDBDHN C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820752427 593880927 /nfs/dbraw/zinc/88/09/27/593880927.db2.gz MXWAEELEROZUFY-QPUJVOFHSA-N 0 3 330.352 1.065 20 5 EDBDHN C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820752427 593880930 /nfs/dbraw/zinc/88/09/30/593880930.db2.gz MXWAEELEROZUFY-QPUJVOFHSA-N 0 3 330.352 1.065 20 5 EDBDHN C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820752427 593880931 /nfs/dbraw/zinc/88/09/31/593880931.db2.gz MXWAEELEROZUFY-QPUJVOFHSA-N 0 3 330.352 1.065 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000827836321 594287446 /nfs/dbraw/zinc/28/74/46/594287446.db2.gz BQGJPYRPSPIEQA-NUEKZKHPSA-N 0 3 347.415 1.660 20 5 EDBDHN CC([C@@H](OC(=O)Cn1ccccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845872843 595085171 /nfs/dbraw/zinc/08/51/71/595085171.db2.gz PNNYVKIBBFHXPQ-MEDUHNTESA-N 0 3 334.303 1.937 20 5 EDBDHN C[C@]1(F)CNCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843388385 595097507 /nfs/dbraw/zinc/09/75/07/595097507.db2.gz XKLSNJPCEOEXRE-AWEZNQCLSA-N 0 3 344.774 1.820 20 5 EDBDHN Cc1ccccc1[C@H](O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843072937 595281197 /nfs/dbraw/zinc/28/11/97/595281197.db2.gz FILDBTXZRWUTIG-MAUKXSAKSA-N 0 3 346.383 1.966 20 5 EDBDHN O=C(CCN1C[C@@H]2COC(=O)[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000860164862 595603080 /nfs/dbraw/zinc/60/30/80/595603080.db2.gz OLRAZCXOKNKKMJ-MWLCHTKSSA-N 0 3 337.307 1.167 20 5 EDBDHN CC(COC(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)[N+](=O)[O-] ZINC000851036251 595710685 /nfs/dbraw/zinc/71/06/85/595710685.db2.gz GULSRSUHZPVZQF-QMMMGPOBSA-N 0 3 334.250 1.938 20 5 EDBDHN C[C@H]1CO[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000851416990 595799493 /nfs/dbraw/zinc/79/94/93/595799493.db2.gz VZZGCYZTSWPCEJ-LCGIIJARSA-N 0 3 334.372 1.484 20 5 EDBDHN CCN1CCC(N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000109270132 595811795 /nfs/dbraw/zinc/81/17/95/595811795.db2.gz JAZAEQLMLXILHH-UHFFFAOYSA-N 0 3 349.387 1.729 20 5 EDBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCOC2(CNC2)C1 ZINC000854014671 595952517 /nfs/dbraw/zinc/95/25/17/595952517.db2.gz JAKHMXRDOZPMBG-UHFFFAOYSA-N 0 3 346.387 1.009 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1 ZINC000856490164 596004717 /nfs/dbraw/zinc/00/47/17/596004717.db2.gz XETASBOHXUWSBB-GDBMZVCRSA-N 0 3 346.387 1.544 20 5 EDBDHN CC1(C)CCNCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000866804708 596355757 /nfs/dbraw/zinc/35/57/57/596355757.db2.gz ORWWTNWOGFKBTH-UHFFFAOYSA-N 0 3 331.369 1.497 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000869776658 596626581 /nfs/dbraw/zinc/62/65/81/596626581.db2.gz QJUOFQDIVRYWAE-CWRNSKLLSA-N 0 3 347.415 1.660 20 5 EDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(N2CCN(C)CC2)CC1 ZINC000866212508 596830002 /nfs/dbraw/zinc/83/00/02/596830002.db2.gz GRANRNHDJWHBNS-UHFFFAOYSA-N 0 3 336.440 1.336 20 5 EDBDHN C[C@@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000872878366 597107354 /nfs/dbraw/zinc/10/73/54/597107354.db2.gz RLJUIMCXCUWRDU-HZSPNIEDSA-N 0 3 348.403 1.818 20 5 EDBDHN COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c([N+](=O)[O-])cc1OC ZINC000874847265 597198604 /nfs/dbraw/zinc/19/86/04/597198604.db2.gz NOMNBRGBQAKTMU-STQMWFEESA-N 0 3 349.387 1.921 20 5 EDBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000876470742 597212411 /nfs/dbraw/zinc/21/24/11/597212411.db2.gz ZPZVPHQPMFUNFQ-INIZCTEOSA-N 0 3 337.376 1.014 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000738357571 598422382 /nfs/dbraw/zinc/42/23/82/598422382.db2.gz FQFBMDYMTRFEED-GFCCVEGCSA-N 0 3 329.364 1.449 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000738357571 598422384 /nfs/dbraw/zinc/42/23/84/598422384.db2.gz FQFBMDYMTRFEED-GFCCVEGCSA-N 0 3 329.364 1.449 20 5 EDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738369261 598469122 /nfs/dbraw/zinc/46/91/22/598469122.db2.gz JTFSHQJIFBRLJE-LLVKDONJSA-N 0 3 344.379 1.235 20 5 EDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738369261 598469123 /nfs/dbraw/zinc/46/91/23/598469123.db2.gz JTFSHQJIFBRLJE-LLVKDONJSA-N 0 3 344.379 1.235 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=S)NC1CCN(C)CC1 ZINC000920311071 697419009 /nfs/dbraw/zinc/41/90/09/697419009.db2.gz KLHMOZSHQBKYLX-UHFFFAOYSA-N 0 3 338.433 1.662 20 5 EDBDHN O=C(NCC1CN(CCc2ccc(F)c(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661819 697435747 /nfs/dbraw/zinc/43/57/47/697435747.db2.gz ITLBVSMPSKXRAT-IUODEOHRSA-N 0 3 339.342 1.221 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000559857480 306259070 /nfs/dbraw/zinc/25/90/70/306259070.db2.gz WXQYECIUOASQHZ-NSHDSACASA-N 0 3 346.391 1.612 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000154111425 530054930 /nfs/dbraw/zinc/05/49/30/530054930.db2.gz BNUYKFAJHGVYOE-ZDUSSCGKSA-N 0 3 343.387 1.852 20 5 EDBDHN O=C(C[C@@H]1CSCCN1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000562977876 306314392 /nfs/dbraw/zinc/31/43/92/306314392.db2.gz OJWKDISZGLIJQA-LLVKDONJSA-N 0 3 339.421 1.050 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@@H]2CN)n1 ZINC000564729212 306364145 /nfs/dbraw/zinc/36/41/45/306364145.db2.gz HGCPJDAGDNKYQC-ZDUSSCGKSA-N 0 3 329.360 1.510 20 5 EDBDHN CC(C)NC(=O)[C@H](C)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414329879 304107069 /nfs/dbraw/zinc/10/70/69/304107069.db2.gz BQUXXORVHWCFNR-RYUDHWBXSA-N 0 3 336.392 1.815 20 5 EDBDHN C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000235669662 139026267 /nfs/dbraw/zinc/02/62/67/139026267.db2.gz HWZPIAUOPBLTBY-DTWKUNHWSA-N 0 3 333.797 1.667 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237326681 139048066 /nfs/dbraw/zinc/04/80/66/139048066.db2.gz BKHWRXZAUZCEHU-JQWIXIFHSA-N 0 3 343.405 1.399 20 5 EDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(O)CCOCC2)c1 ZINC000238133585 139069375 /nfs/dbraw/zinc/06/93/75/139069375.db2.gz CGWLDYVYETVNCK-UHFFFAOYSA-N 0 3 332.303 1.827 20 5 EDBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246253827 139101097 /nfs/dbraw/zinc/10/10/97/139101097.db2.gz SWAVCKSVRSAVHP-WFASDCNBSA-N 0 3 341.433 1.946 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N(C)C1 ZINC000346697800 250044312 /nfs/dbraw/zinc/04/43/12/250044312.db2.gz GYXVDGZSMGDBER-RYUDHWBXSA-N 0 3 346.387 1.867 20 5 EDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262917077 139312574 /nfs/dbraw/zinc/31/25/74/139312574.db2.gz ZADFOOCZMMMCRG-NWDGAFQWSA-N 0 3 329.360 1.603 20 5 EDBDHN CCCN(CCN1CCN(CC)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000426159558 252318740 /nfs/dbraw/zinc/31/87/40/252318740.db2.gz FWWVAHGYJGICLO-UHFFFAOYSA-N 0 3 338.408 1.678 20 5 EDBDHN CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1F ZINC000458275380 254902736 /nfs/dbraw/zinc/90/27/36/254902736.db2.gz NMVTXRWDPLSRBY-UHFFFAOYSA-N 0 3 337.311 1.650 20 5 EDBDHN CC(C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)S(C)(=O)=O ZINC000153886629 224171571 /nfs/dbraw/zinc/17/15/71/224171571.db2.gz LHZLYUWUVCYOOV-JTQLQIEISA-N 0 3 326.374 1.519 20 5 EDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(CCCO)C1 ZINC000493498925 255212301 /nfs/dbraw/zinc/21/23/01/255212301.db2.gz RZEOFBUHYOBFOG-ZPIQOJFGSA-N 0 3 333.388 1.571 20 5 EDBDHN CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2c([N+](=O)[O-])ncn2C)C1 ZINC000495544352 255298165 /nfs/dbraw/zinc/29/81/65/255298165.db2.gz UVWKAMZYSCCJHV-NWDGAFQWSA-N 0 3 339.396 1.675 20 5 EDBDHN COCCN(C)CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000152997506 533311843 /nfs/dbraw/zinc/31/18/43/533311843.db2.gz HFRBWVSBPZMRNT-UHFFFAOYSA-N 0 3 348.403 1.703 20 5 EDBDHN CN(C)C1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000270844295 140181211 /nfs/dbraw/zinc/18/12/11/140181211.db2.gz VZBQAJNFFIGOCL-UHFFFAOYSA-N 0 3 329.360 1.147 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000272934710 140534112 /nfs/dbraw/zinc/53/41/12/140534112.db2.gz VZWLXSBAYHZIGZ-KBPBESRZSA-N 0 3 340.767 1.129 20 5 EDBDHN COc1cc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000330549984 140874912 /nfs/dbraw/zinc/87/49/12/140874912.db2.gz RPZLWCVDSKKZTE-OCCSQVGLSA-N 0 3 339.417 1.721 20 5 EDBDHN CCN1CC[C@@H]2OCCN(CCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000339387147 142033760 /nfs/dbraw/zinc/03/37/60/142033760.db2.gz FRJSWPGTWPWQOG-IRXDYDNUSA-N 0 3 335.404 1.769 20 5 EDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCNc1ccncc1 ZINC000344697690 143000158 /nfs/dbraw/zinc/00/01/58/143000158.db2.gz XOVUPAYWJZQTDW-UHFFFAOYSA-N 0 3 339.355 1.595 20 5 EDBDHN CO[C@H]1C[C@H](CO)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344704537 143000891 /nfs/dbraw/zinc/00/08/91/143000891.db2.gz HOCKYWXICYTYNR-KGLIPLIRSA-N 0 3 337.376 1.313 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345013295 143039352 /nfs/dbraw/zinc/03/93/52/143039352.db2.gz QRPXBLMHNNWHFM-SLEUVZQESA-N 0 3 348.403 1.312 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)C(=O)NCc2ccccc2[N+](=O)[O-])N(C)C1 ZINC000346044522 143161092 /nfs/dbraw/zinc/16/10/92/143161092.db2.gz SFCMBKYXCMQMDY-KGLIPLIRSA-N 0 3 336.392 1.455 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346259933 143184500 /nfs/dbraw/zinc/18/45/00/143184500.db2.gz KGHSPBUSCBNWEI-UMVBOHGHSA-N 0 3 349.435 1.679 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000346620143 143222738 /nfs/dbraw/zinc/22/27/38/143222738.db2.gz MFCGDDAOQCYTIH-CABCVRRESA-N 0 3 336.392 1.455 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CSC[C@@H]1C ZINC000352818009 149180057 /nfs/dbraw/zinc/18/00/57/149180057.db2.gz SGYZNHTWUCNXNF-CABZTGNLSA-N 0 3 325.390 1.883 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)[C@@H]2C1 ZINC000355358565 150231627 /nfs/dbraw/zinc/23/16/27/150231627.db2.gz BMKIWUSWPKVFEG-HZPDHXFCSA-N 0 3 333.388 1.838 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000355386478 150246403 /nfs/dbraw/zinc/24/64/03/150246403.db2.gz RDYPOMZPZIISTM-HOTGVXAUSA-N 0 3 333.388 1.459 20 5 EDBDHN [NH3+]C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCCC1 ZINC000573681970 306629602 /nfs/dbraw/zinc/62/96/02/306629602.db2.gz GKOMWYZDFHHIIT-UHFFFAOYSA-N 0 3 328.394 1.320 20 5 EDBDHN COc1ccc(C(=O)N2CC[C@H](N(C)CCO)[C@H]2C)cc1[N+](=O)[O-] ZINC000356053051 150487910 /nfs/dbraw/zinc/48/79/10/150487910.db2.gz WEZIYSWADRDRBQ-YPMHNXCESA-N 0 3 337.376 1.131 20 5 EDBDHN CNc1c(C(=O)NC[C@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000361205226 152334808 /nfs/dbraw/zinc/33/48/08/152334808.db2.gz VOZUSSZKZSRBJI-ZDUSSCGKSA-N 0 3 349.435 1.250 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000123252248 286351458 /nfs/dbraw/zinc/35/14/58/286351458.db2.gz SKRQEOWJUMAEKE-GHMZBOCLSA-N 0 3 329.378 1.152 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000364781111 153331445 /nfs/dbraw/zinc/33/14/45/153331445.db2.gz FYJYQZALJMMCPF-CZUORRHYSA-N 0 3 335.360 1.699 20 5 EDBDHN O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000367456589 154131084 /nfs/dbraw/zinc/13/10/84/154131084.db2.gz CGNVXIQRDVOJOH-LRDDRELGSA-N 0 3 332.360 1.180 20 5 EDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)Cn1ccnn1)CCCC2 ZINC000417360844 304394919 /nfs/dbraw/zinc/39/49/19/304394919.db2.gz KHFTVZQCIGAZGA-ZBFHGGJFSA-N 0 3 331.376 1.605 20 5 EDBDHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000351520461 286622583 /nfs/dbraw/zinc/62/25/83/286622583.db2.gz FGGRHAIYDGQSPY-KGLIPLIRSA-N 0 3 327.406 1.545 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000050679618 287219841 /nfs/dbraw/zinc/21/98/41/287219841.db2.gz XZBBVGNDNLDMER-UHFFFAOYSA-N 0 3 348.403 1.221 20 5 EDBDHN COCCN(C)CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000118953885 287348663 /nfs/dbraw/zinc/34/86/63/287348663.db2.gz IWPHBSUDZGAMTA-UHFFFAOYSA-N 0 3 336.392 1.241 20 5 EDBDHN CN(C)CCN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000192744622 272985542 /nfs/dbraw/zinc/98/55/42/272985542.db2.gz HMYANISAAYQWHR-VMPITWQZSA-N 0 3 332.404 1.314 20 5 EDBDHN Cc1nn(C)c(C(=O)Nc2ccccc2CCN(C)C)c1[N+](=O)[O-] ZINC000275682027 273119103 /nfs/dbraw/zinc/11/91/03/273119103.db2.gz QFPHBHVNYNBAOA-UHFFFAOYSA-N 0 3 331.376 1.993 20 5 EDBDHN COC(=O)c1cc(C(=O)NC2(CN(C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000281051952 273430090 /nfs/dbraw/zinc/43/00/90/273430090.db2.gz KGTQEMILYKDYEC-UHFFFAOYSA-N 0 3 335.360 1.596 20 5 EDBDHN CC[C@H](NCCn1cc(C(=O)OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000284428663 274198332 /nfs/dbraw/zinc/19/83/32/274198332.db2.gz RSYRHTMHFOGIBF-ZDUSSCGKSA-N 0 3 333.348 1.714 20 5 EDBDHN Cn1nccc1[C@H]1[C@H](NCc2cccc([N+](=O)[O-])c2)CCC(=O)N1C ZINC000284448958 274206259 /nfs/dbraw/zinc/20/62/59/274206259.db2.gz GGTKPEPZQDMAPX-RHSMWYFYSA-N 0 3 343.387 1.780 20 5 EDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@](O)(Cn3ccnn3)C2)c1 ZINC000284606943 274262076 /nfs/dbraw/zinc/26/20/76/274262076.db2.gz QGQXOCIECUOLGG-MRXNPFEDSA-N 0 3 347.375 1.092 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000359088656 280398815 /nfs/dbraw/zinc/39/88/15/280398815.db2.gz ADNMEINXJAHXOY-CQSZACIVSA-N 0 3 347.419 1.349 20 5 EDBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000359519224 289135470 /nfs/dbraw/zinc/13/54/70/289135470.db2.gz VEZYROOMKXOASP-UHFFFAOYSA-N 0 3 337.424 1.912 20 5 EDBDHN CN1CC[C@]2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000292452467 289351195 /nfs/dbraw/zinc/35/11/95/289351195.db2.gz YBPNDBAGEQXOHU-KRWDZBQOSA-N 0 3 347.371 1.534 20 5 EDBDHN CN1CCC[C@]2(CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)C1 ZINC000293888575 303034177 /nfs/dbraw/zinc/03/41/77/303034177.db2.gz GFTOORSUHOHIAK-KRWDZBQOSA-N 0 3 347.371 1.881 20 5 EDBDHN COc1cc(C(=O)Nc2ccnn2CCN(C)C)ccc1[N+](=O)[O-] ZINC000293954089 303043813 /nfs/dbraw/zinc/04/38/13/303043813.db2.gz DOJOAEVBVSKZRF-UHFFFAOYSA-N 0 3 333.348 1.614 20 5 EDBDHN CCN(CCO)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295011635 303162657 /nfs/dbraw/zinc/16/26/57/303162657.db2.gz PIHNNKHAJRLDHO-UHFFFAOYSA-N 0 3 349.309 1.658 20 5 EDBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000295396552 303213478 /nfs/dbraw/zinc/21/34/78/303213478.db2.gz RLBZUCVMROXKDG-ZETCQYMHSA-N 0 3 333.753 1.156 20 5 EDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(CCCO)C1 ZINC000295634711 303245359 /nfs/dbraw/zinc/24/53/59/303245359.db2.gz ALPNGQNQTXKUAP-XVJNWHFHSA-N 0 3 333.388 1.571 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000295824831 303272588 /nfs/dbraw/zinc/27/25/88/303272588.db2.gz VOWBKMYVTSMSMX-QWRGUYRKSA-N 0 3 325.365 1.539 20 5 EDBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301507763 303681822 /nfs/dbraw/zinc/68/18/22/303681822.db2.gz HMNMVRXXEAQFRJ-GFCCVEGCSA-N 0 3 335.408 1.132 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC12CC[NH2+]CC2 ZINC000367830242 303838973 /nfs/dbraw/zinc/83/89/73/303838973.db2.gz BCHOOXVQJOGLIQ-CYBMUJFWSA-N 0 3 341.389 1.024 20 5 EDBDHN COC[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000434781430 305129942 /nfs/dbraw/zinc/12/99/42/305129942.db2.gz CAZYYSIVTBFOIF-IPYPFGDCSA-N 0 3 340.376 1.118 20 5 EDBDHN COc1cc(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000444750951 305251948 /nfs/dbraw/zinc/25/19/48/305251948.db2.gz MNKDYLGOPGRHNB-GJZGRUSLSA-N 0 3 346.387 1.545 20 5 EDBDHN CC(C)N(CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)COc1ccccc1 ZINC000444803843 305253152 /nfs/dbraw/zinc/25/31/52/305253152.db2.gz GPSMUQNONAXHOA-MRXNPFEDSA-N 0 3 348.403 1.942 20 5 EDBDHN O=C1CCC(=O)N1CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552207 305353017 /nfs/dbraw/zinc/35/30/17/305353017.db2.gz WBWVJZRJPXASPF-CQSZACIVSA-N 0 3 331.372 1.923 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000457251964 305486072 /nfs/dbraw/zinc/48/60/72/305486072.db2.gz VPYGOKCIAISIGK-UHFFFAOYSA-N 0 3 331.376 1.851 20 5 EDBDHN CN(C)[C@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000551888011 306165671 /nfs/dbraw/zinc/16/56/71/306165671.db2.gz CKNGGWPWQBLISI-GOEBONIOSA-N 0 3 349.387 1.820 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000449707810 447388439 /nfs/dbraw/zinc/38/84/39/447388439.db2.gz DVAIYMQTFILAFL-CHWSQXEVSA-N 0 3 338.360 1.397 20 5 EDBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000044532869 440852970 /nfs/dbraw/zinc/85/29/70/440852970.db2.gz GECFHBRXKMONFI-LLVKDONJSA-N 0 3 335.360 1.928 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000044571770 440857189 /nfs/dbraw/zinc/85/71/89/440857189.db2.gz CYTBFHYUQTYTBZ-CQSZACIVSA-N 0 3 343.387 1.995 20 5 EDBDHN CCCNC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717129 441326673 /nfs/dbraw/zinc/32/66/73/441326673.db2.gz LJYUILKOFOFPJV-NSHDSACASA-N 0 3 328.390 1.733 20 5 EDBDHN CN1CCC(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000048773654 441331862 /nfs/dbraw/zinc/33/18/62/441331862.db2.gz YFBZGZTVCVIZIP-UHFFFAOYSA-N 0 3 340.767 1.397 20 5 EDBDHN Cc1sc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000064333907 441374040 /nfs/dbraw/zinc/37/40/40/441374040.db2.gz LJYQTZCIFSWQSI-QWRGUYRKSA-N 0 3 325.390 1.558 20 5 EDBDHN O=Cc1ccc(OCC(=O)NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000074340178 441423660 /nfs/dbraw/zinc/42/36/60/441423660.db2.gz IAJLUGFESFDQPO-UHFFFAOYSA-N 0 3 347.371 1.529 20 5 EDBDHN CN1CCN(CCCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000075654420 441545891 /nfs/dbraw/zinc/54/58/91/441545891.db2.gz XSUJVRZIADZULX-BQYQJAHWSA-N 0 3 346.431 1.752 20 5 EDBDHN CC1CCN(C[C@H](O)CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000088364036 441506260 /nfs/dbraw/zinc/50/62/60/441506260.db2.gz XZFXJYABNLMBSD-QGZVFWFLSA-N 0 3 349.431 1.736 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112922713 441569768 /nfs/dbraw/zinc/56/97/68/441569768.db2.gz MHTNTOSIADDKMJ-HNNXBMFYSA-N 0 3 348.447 1.527 20 5 EDBDHN O=C([C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000054886983 441605318 /nfs/dbraw/zinc/60/53/18/441605318.db2.gz LSQBOBNRFYNBJV-OAHLLOKOSA-N 0 3 333.388 1.666 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000041240553 441639459 /nfs/dbraw/zinc/63/94/59/441639459.db2.gz NXIUIRYHQKPCMM-UHFFFAOYSA-N 0 3 346.387 1.585 20 5 EDBDHN CNS(=O)(=O)c1ccc(NC[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000140024417 441832153 /nfs/dbraw/zinc/83/21/53/441832153.db2.gz LKWNCZDYCZPKOP-JTQLQIEISA-N 0 3 328.394 1.009 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000116785390 441844899 /nfs/dbraw/zinc/84/48/99/441844899.db2.gz QDRMPMXEUYACGT-LBPRGKRZSA-N 0 3 332.360 1.479 20 5 EDBDHN COc1cc(CNc2ccn(CC[NH+](C)C)n2)c([N+](=O)[O-])cc1[O-] ZINC000119809671 441955506 /nfs/dbraw/zinc/95/55/06/441955506.db2.gz KMBWHGOLAJAKSH-UHFFFAOYSA-N 0 3 335.364 1.679 20 5 EDBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000078675020 441961529 /nfs/dbraw/zinc/96/15/29/441961529.db2.gz IPWRBVUASIMRDR-AWEZNQCLSA-N 0 3 342.403 1.925 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000125223434 441999818 /nfs/dbraw/zinc/99/98/18/441999818.db2.gz KEGIUSWRVFSRJT-NXEZZACHSA-N 0 3 329.378 1.152 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000125106007 441985317 /nfs/dbraw/zinc/98/53/17/441985317.db2.gz UKQGAEQQJYQULS-NXEZZACHSA-N 0 3 329.378 1.152 20 5 EDBDHN CCOC(=O)c1cc(N2CCCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000125342903 442012413 /nfs/dbraw/zinc/01/24/13/442012413.db2.gz ITWNPPJYZMSLCQ-UHFFFAOYSA-N 0 3 337.376 1.276 20 5 EDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000162289256 442080874 /nfs/dbraw/zinc/08/08/74/442080874.db2.gz DGPYJRHQPDEOEX-PBHICJAKSA-N 0 3 346.431 1.894 20 5 EDBDHN Cc1nc(N2CCCC[C@@H](N3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000127053079 442165935 /nfs/dbraw/zinc/16/59/35/442165935.db2.gz WLONCSZLCJZASS-OAHLLOKOSA-N 0 3 333.436 1.905 20 5 EDBDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176239186 442198372 /nfs/dbraw/zinc/19/83/72/442198372.db2.gz IAUGVYHSPKAQCQ-LLVKDONJSA-N 0 3 327.385 1.636 20 5 EDBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000164808261 442203179 /nfs/dbraw/zinc/20/31/79/442203179.db2.gz AMVSHZNRDMFRFN-GFCCVEGCSA-N 0 3 349.343 1.741 20 5 EDBDHN O=[N+]([O-])c1cccc(OCCN2CCC(Cn3cncn3)CC2)c1 ZINC000186247886 442496922 /nfs/dbraw/zinc/49/69/22/442496922.db2.gz YQUSUVSWXRHLMZ-UHFFFAOYSA-N 0 3 331.376 1.977 20 5 EDBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000179496348 442466582 /nfs/dbraw/zinc/46/65/82/442466582.db2.gz QSBGVFLWIPABIC-UHFFFAOYSA-N 0 3 343.387 1.755 20 5 EDBDHN CCOc1cccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000180716533 442651650 /nfs/dbraw/zinc/65/16/50/442651650.db2.gz SUCKHZDJRPXACY-DOMZBBRYSA-N 0 3 334.376 1.902 20 5 EDBDHN C[C@H]1CCNC(=O)[C@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000193574823 442755629 /nfs/dbraw/zinc/75/56/29/442755629.db2.gz XDPLUPXYTAQMQI-XPTSAGLGSA-N 0 3 338.339 1.177 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000265550272 442820800 /nfs/dbraw/zinc/82/08/00/442820800.db2.gz YPTKNTNPPNNMGD-UHFFFAOYSA-N 0 3 346.387 1.653 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000182965151 442856367 /nfs/dbraw/zinc/85/63/67/442856367.db2.gz MVHANBKGUDLETD-QGZVFWFLSA-N 0 3 336.436 1.198 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000183250324 442911375 /nfs/dbraw/zinc/91/13/75/442911375.db2.gz ZKXMHWDGDKWTEY-MRXNPFEDSA-N 0 3 347.415 1.974 20 5 EDBDHN CCN1CCN(C[C@H](C)CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000189443513 442954884 /nfs/dbraw/zinc/95/48/84/442954884.db2.gz DSVCCXFFZPQJGU-CYBMUJFWSA-N 0 3 349.435 1.379 20 5 EDBDHN CCc1nn(C)c(NC[C@H](C)CN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000189448273 442955985 /nfs/dbraw/zinc/95/59/85/442955985.db2.gz RVDYQWLHQKHGFQ-ZDUSSCGKSA-N 0 3 338.456 1.576 20 5 EDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000265943425 442978990 /nfs/dbraw/zinc/97/89/90/442978990.db2.gz IPSALKUPOFBJKW-BXUZGUMPSA-N 0 3 339.367 1.911 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000294274668 318608525 /nfs/dbraw/zinc/60/85/25/318608525.db2.gz ZIOWQVJDNDRSDK-UHFFFAOYSA-N 0 3 346.391 1.428 20 5 EDBDHN COc1ccc(CN2CCN(CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000189881777 443023378 /nfs/dbraw/zinc/02/33/78/443023378.db2.gz YGUXNINETRESBP-CYBMUJFWSA-N 0 3 337.420 1.880 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000184501446 443029766 /nfs/dbraw/zinc/02/97/66/443029766.db2.gz OZJAUOVEDIOVQK-UHFFFAOYSA-N 0 3 336.348 1.978 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000189958316 443037827 /nfs/dbraw/zinc/03/78/27/443037827.db2.gz JMRQIQZOJXKBIQ-ZDUSSCGKSA-N 0 3 341.433 1.832 20 5 EDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184603102 443047553 /nfs/dbraw/zinc/04/75/53/443047553.db2.gz OACFYYGYCVBIHY-CQSZACIVSA-N 0 3 341.433 1.841 20 5 EDBDHN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c([N+](=O)[O-])c1 ZINC000268892553 443138937 /nfs/dbraw/zinc/13/89/37/443138937.db2.gz YMBOUWJHCONETR-OAHLLOKOSA-N 0 3 332.404 1.646 20 5 EDBDHN Cc1c([C@H](C)NCCCN2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000268897880 443141004 /nfs/dbraw/zinc/14/10/04/443141004.db2.gz KNWUJXNKLGSALI-XJKSGUPXSA-N 0 3 334.420 1.894 20 5 EDBDHN CCCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000185187437 443157719 /nfs/dbraw/zinc/15/77/19/443157719.db2.gz QAXWVGLJHJELIO-UHFFFAOYSA-N 0 3 340.355 1.650 20 5 EDBDHN C[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H](C)CN1 ZINC000272623104 443386561 /nfs/dbraw/zinc/38/65/61/443386561.db2.gz VBXXDCKNGDRPPT-VXGBXAGGSA-N 0 3 329.360 1.603 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC(C)CCS(C)=O)cc1[N+](=O)[O-] ZINC000267262066 443397879 /nfs/dbraw/zinc/39/78/79/443397879.db2.gz UCCYBJZVUICCGF-OTHYDSGKSA-N 0 3 343.361 1.698 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270967751 443485466 /nfs/dbraw/zinc/48/54/66/443485466.db2.gz BHHWYQCXLHXHTK-VHSXEESVSA-N 0 3 341.437 1.559 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270967751 443485471 /nfs/dbraw/zinc/48/54/71/443485471.db2.gz BHHWYQCXLHXHTK-VHSXEESVSA-N 0 3 341.437 1.559 20 5 EDBDHN CC(C)[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000449193302 320177524 /nfs/dbraw/zinc/17/75/24/320177524.db2.gz ZZMOSNVHBCIVOU-PBHICJAKSA-N 0 3 349.431 1.999 20 5 EDBDHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]12 ZINC000449519986 320193575 /nfs/dbraw/zinc/19/35/75/320193575.db2.gz DREHLXHQECCTCB-OKILXGFUSA-N 0 3 341.323 1.559 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000449622180 320195468 /nfs/dbraw/zinc/19/54/68/320195468.db2.gz CXUXEJOLAOIDNB-CQSZACIVSA-N 0 3 338.360 1.661 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000453627780 320264909 /nfs/dbraw/zinc/26/49/09/320264909.db2.gz IGRURJDEAAFKIT-YPMHNXCESA-N 0 3 338.360 1.804 20 5 EDBDHN CN(C)CCn1nnnc1SCc1c(F)cc([N+](=O)[O-])cc1F ZINC000505701130 320427631 /nfs/dbraw/zinc/42/76/31/320427631.db2.gz VEUCXGBBTHJHKA-UHFFFAOYSA-N 0 3 344.347 1.713 20 5 EDBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000523481839 320486094 /nfs/dbraw/zinc/48/60/94/320486094.db2.gz SKUWMXCHRPZOQI-UHFFFAOYSA-N 0 3 340.380 1.268 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)N(C)C1 ZINC000285005514 443817509 /nfs/dbraw/zinc/81/75/09/443817509.db2.gz ZDNVGKIVLFQANK-STQMWFEESA-N 0 3 334.376 1.887 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000277473007 443987376 /nfs/dbraw/zinc/98/73/76/443987376.db2.gz NLUTYRAXHKRQCR-WCQYABFASA-N 0 3 337.376 1.947 20 5 EDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H](OCCN2CCCCC2)C1 ZINC000554889635 320959770 /nfs/dbraw/zinc/95/97/70/320959770.db2.gz TWLAWSWRJPJUFI-LBPRGKRZSA-N 0 3 337.380 1.035 20 5 EDBDHN Cc1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000281894421 444033642 /nfs/dbraw/zinc/03/36/42/444033642.db2.gz YPPQUTRJVNLRGK-UHFFFAOYSA-N 0 3 334.420 1.659 20 5 EDBDHN C[C@@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000564857069 321152116 /nfs/dbraw/zinc/15/21/16/321152116.db2.gz QNDNALDHBNEKLJ-AWEZNQCLSA-N 0 3 328.390 1.385 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278106388 444097156 /nfs/dbraw/zinc/09/71/56/444097156.db2.gz RHMHNTGTQLTERO-LBPRGKRZSA-N 0 3 346.391 1.755 20 5 EDBDHN CNC(=O)c1ccc(N2CCN(C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000294868155 444152023 /nfs/dbraw/zinc/15/20/23/444152023.db2.gz DVFFTFWIZLHBFE-GFCCVEGCSA-N 0 3 332.404 1.875 20 5 EDBDHN C[C@@H]1[C@H](N2CCOCC2)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289918828 444219692 /nfs/dbraw/zinc/21/96/92/444219692.db2.gz UCINZZKNBHEOLY-XYPHTWIQSA-N 0 3 335.404 1.423 20 5 EDBDHN CC(C)c1n[nH]c(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295356243 444180348 /nfs/dbraw/zinc/18/03/48/444180348.db2.gz NQHAKRRRKHDZFQ-LLVKDONJSA-N 0 3 335.408 1.998 20 5 EDBDHN CC(C)c1[nH]nc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295356243 444180351 /nfs/dbraw/zinc/18/03/51/444180351.db2.gz NQHAKRRRKHDZFQ-LLVKDONJSA-N 0 3 335.408 1.998 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000290327224 444267891 /nfs/dbraw/zinc/26/78/91/444267891.db2.gz WDISNYUCHVFKJL-CYBMUJFWSA-N 0 3 334.376 1.258 20 5 EDBDHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000578482949 321780685 /nfs/dbraw/zinc/78/06/85/321780685.db2.gz YNLJMRIJERMODP-AVGNSLFASA-N 0 3 344.437 1.688 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCc2ccccc2[C@H]1CN ZINC000580835830 322101974 /nfs/dbraw/zinc/10/19/74/322101974.db2.gz SRGKIXKCDFYEQT-OAHLLOKOSA-N 0 3 343.387 1.575 20 5 EDBDHN O=C1[C@H](N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344048886 444749865 /nfs/dbraw/zinc/74/98/65/444749865.db2.gz ZGJDMUGAIOONMU-AEAUEXCSSA-N 0 3 331.372 1.403 20 5 EDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000342614214 444776962 /nfs/dbraw/zinc/77/69/62/444776962.db2.gz KGSCRMIUOPQHPU-CQSZACIVSA-N 0 3 332.360 1.964 20 5 EDBDHN C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000338663808 444798481 /nfs/dbraw/zinc/79/84/81/444798481.db2.gz BTXVIPSHPYGGNB-CHWSQXEVSA-N 0 3 337.424 1.906 20 5 EDBDHN CCN1CCC(N(C)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000330438666 444980585 /nfs/dbraw/zinc/98/05/85/444980585.db2.gz NPZKNDVRVFZOKE-UHFFFAOYSA-N 0 3 337.424 1.741 20 5 EDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330459845 444990519 /nfs/dbraw/zinc/99/05/19/444990519.db2.gz ZZRIGYMMEXTZNN-STQMWFEESA-N 0 3 337.424 1.763 20 5 EDBDHN CC(=O)c1ccc(NCCCN2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000339033974 444999013 /nfs/dbraw/zinc/99/90/13/444999013.db2.gz HHGJQJYDEWRUAX-CQSZACIVSA-N 0 3 348.403 1.797 20 5 EDBDHN CS(=O)(=O)NC[C@H]1CCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000337286840 445016783 /nfs/dbraw/zinc/01/67/83/445016783.db2.gz MPIZWSTWITVARB-GHMZBOCLSA-N 0 3 333.435 1.464 20 5 EDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C(=O)NCCF ZINC000337482119 445099709 /nfs/dbraw/zinc/09/97/09/445099709.db2.gz RBXRFNXKYVVPOC-QWRGUYRKSA-N 0 3 340.355 1.376 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348378371 445271388 /nfs/dbraw/zinc/27/13/88/445271388.db2.gz GHJMKTYMOBCHJO-OLZOCXBDSA-N 0 3 339.417 1.651 20 5 EDBDHN O=[N+]([O-])c1cnc(NC[C@]2(O)CCN(Cc3ccccc3)C2)nc1 ZINC000354570791 445298879 /nfs/dbraw/zinc/29/88/79/445298879.db2.gz HIVAJXORXJMYQA-MRXNPFEDSA-N 0 3 329.360 1.434 20 5 EDBDHN CN(C)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000359810263 445440027 /nfs/dbraw/zinc/44/00/27/445440027.db2.gz UCGOBLGVACPGRY-AWEZNQCLSA-N 0 3 335.339 1.350 20 5 EDBDHN Cc1ccc(NCCCNC(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000353437671 445601104 /nfs/dbraw/zinc/60/11/04/445601104.db2.gz JMTCGALRMZMKQE-CYBMUJFWSA-N 0 3 337.424 1.955 20 5 EDBDHN O=C1[C@@H](N[C@@H]2CCc3nccn3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000363069736 445666182 /nfs/dbraw/zinc/66/61/82/445666182.db2.gz YOFJFJNXNJWNCV-DOMZBBRYSA-N 0 3 341.371 1.501 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000353735155 445731088 /nfs/dbraw/zinc/73/10/88/445731088.db2.gz HJJCATDQOUNBSB-LBPRGKRZSA-N 0 3 326.349 1.253 20 5 EDBDHN COC(=O)COc1ccc(CNCCn2cc(C)cn2)cc1[N+](=O)[O-] ZINC000353736886 445732120 /nfs/dbraw/zinc/73/21/20/445732120.db2.gz KCTPVURTVXLJMD-UHFFFAOYSA-N 0 3 348.359 1.441 20 5 EDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363325930 445767337 /nfs/dbraw/zinc/76/73/37/445767337.db2.gz MTWCKUFZVKCPNS-UONOGXRCSA-N 0 3 349.387 1.343 20 5 EDBDHN CN1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000363404557 445790724 /nfs/dbraw/zinc/79/07/24/445790724.db2.gz MYFHWRFLMIVPDT-CABCVRRESA-N 0 3 339.417 1.842 20 5 EDBDHN C[C@@H]1CCN(C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354019023 445857254 /nfs/dbraw/zinc/85/72/54/445857254.db2.gz ISOBXAKYRXSKCO-CYBMUJFWSA-N 0 3 348.403 1.267 20 5 EDBDHN Cc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000366198906 446079187 /nfs/dbraw/zinc/07/91/87/446079187.db2.gz WIUPPTNSSORKMD-CYBMUJFWSA-N 0 3 348.403 1.469 20 5 EDBDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351493580 446097195 /nfs/dbraw/zinc/09/71/95/446097195.db2.gz LYXWTGSVCWWJOP-SNVBAGLBSA-N 0 3 340.355 1.519 20 5 EDBDHN CCC[C@@H]1CNCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420243563 446429362 /nfs/dbraw/zinc/42/93/62/446429362.db2.gz XXLMYRZSUFRFSA-LLVKDONJSA-N 0 3 327.406 1.577 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CNCCO1 ZINC000420277306 446446677 /nfs/dbraw/zinc/44/66/77/446446677.db2.gz HTGWLZVBUXUIJU-VIFPVBQESA-N 0 3 329.740 1.435 20 5 EDBDHN CN1C(=O)N[C@]2(CCC[C@H]2CNCc2ccccc2[N+](=O)[O-])C1=O ZINC000371092143 446623215 /nfs/dbraw/zinc/62/32/15/446623215.db2.gz ZFFKNBWKWKVXRB-LRDDRELGSA-N 0 3 332.360 1.405 20 5 EDBDHN C[C@H]1C[C@H]1N1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000420636975 446714373 /nfs/dbraw/zinc/71/43/73/446714373.db2.gz NBAMMGFCAXSXEY-SLEUVZQESA-N 0 3 332.404 1.860 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368341229 446798887 /nfs/dbraw/zinc/79/88/87/446798887.db2.gz XFOAUHUOVQTITN-ITGUQSILSA-N 0 3 335.360 1.102 20 5 EDBDHN Cc1c(NC(=O)N2CCCN([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000376957123 446820517 /nfs/dbraw/zinc/82/05/17/446820517.db2.gz IUAFKCPGHYEYJS-LBPRGKRZSA-N 0 3 336.392 1.824 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@]2(CO)Cc2ccccc2)c1 ZINC000375471357 446825546 /nfs/dbraw/zinc/82/55/46/446825546.db2.gz SNBDBNUKQZZETM-KRWDZBQOSA-N 0 3 330.388 1.861 20 5 EDBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(CCO)CC1 ZINC000444625102 447110040 /nfs/dbraw/zinc/11/00/40/447110040.db2.gz HCDUBCWWXRHYHY-UHFFFAOYSA-N 0 3 333.392 1.360 20 5 EDBDHN CCN(CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000444177802 447089551 /nfs/dbraw/zinc/08/95/51/447089551.db2.gz SWRBZQJGVNQCDY-UHFFFAOYSA-N 0 3 335.451 1.973 20 5 EDBDHN Cc1ccnc(NCC2(N3CCOCC3)CCN(C)CC2)c1[N+](=O)[O-] ZINC000413485372 447198321 /nfs/dbraw/zinc/19/83/21/447198321.db2.gz WCXWCKZACRISSR-UHFFFAOYSA-N 0 3 349.435 1.507 20 5 EDBDHN Cc1c(NC(=O)CCN2CC[C@@](O)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000451431647 447731896 /nfs/dbraw/zinc/73/18/96/447731896.db2.gz NLRBMCAUGQTDRW-HNNXBMFYSA-N 0 3 343.330 1.934 20 5 EDBDHN CN1CCC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000569902835 447911891 /nfs/dbraw/zinc/91/18/91/447911891.db2.gz DJILGTMSKOXJNS-SNVBAGLBSA-N 0 3 327.331 1.874 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1C ZINC000525104923 447969370 /nfs/dbraw/zinc/96/93/70/447969370.db2.gz HPKHPWVKGSUFSP-QWRGUYRKSA-N 0 3 335.360 1.579 20 5 EDBDHN C[C@@H](C(=O)NCCN1CCN(C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000554616653 448044316 /nfs/dbraw/zinc/04/43/16/448044316.db2.gz JALRSMCMJIHZCW-CQSZACIVSA-N 0 3 348.447 1.841 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CN1C1CC1 ZINC000531243885 448045318 /nfs/dbraw/zinc/04/53/18/448045318.db2.gz MGLRVSLMRMTTHH-NXEZZACHSA-N 0 3 333.344 1.679 20 5 EDBDHN CN1CCC(O)(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492065872 448173714 /nfs/dbraw/zinc/17/37/14/448173714.db2.gz FWKHWXMARTUXJX-HYXAFXHYSA-N 0 3 337.351 1.320 20 5 EDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000532196864 448215056 /nfs/dbraw/zinc/21/50/56/448215056.db2.gz GONWLCQMUKWCTE-NWDGAFQWSA-N 0 3 340.405 1.095 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1C[C@@H](O)C1(C)C ZINC000577408985 448291865 /nfs/dbraw/zinc/29/18/65/448291865.db2.gz MLPICFMRAAVLNW-QCZZGDTMSA-N 0 3 337.376 1.679 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000577952324 448424405 /nfs/dbraw/zinc/42/44/05/448424405.db2.gz DBQMDUKOSXAVQM-YUMQZZPRSA-N 0 3 335.357 1.147 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000536883467 448544778 /nfs/dbraw/zinc/54/47/78/448544778.db2.gz WPHCUORNLPXVJJ-QWHCGFSZSA-N 0 3 341.433 1.978 20 5 EDBDHN CCN1CCC(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000573406852 448616815 /nfs/dbraw/zinc/61/68/15/448616815.db2.gz MFDCZHITWCFQDG-UHFFFAOYSA-N 0 3 341.433 1.746 20 5 EDBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000567419800 448688757 /nfs/dbraw/zinc/68/87/57/448688757.db2.gz DNZKRDKIPPPUSG-CYBMUJFWSA-N 0 3 333.348 1.359 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000541819317 448695701 /nfs/dbraw/zinc/69/57/01/448695701.db2.gz MUYQYOULZIRLMJ-CYBMUJFWSA-N 0 3 341.433 1.832 20 5 EDBDHN COC(=O)[C@@H]1C[C@@H](O)CN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592196157 448734594 /nfs/dbraw/zinc/73/45/94/448734594.db2.gz AOGAUSOSTFCPMX-TZMCWYRMSA-N 0 3 338.360 1.220 20 5 EDBDHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586756912 448800024 /nfs/dbraw/zinc/80/00/24/448800024.db2.gz GGUGCXUDZJWGOP-AWEZNQCLSA-N 0 3 343.387 1.960 20 5 EDBDHN CC(C)(C(=O)Nc1cccc2c1CCNC2)n1cc([N+](=O)[O-])cn1 ZINC000579581835 448826395 /nfs/dbraw/zinc/82/63/95/448826395.db2.gz NGNMQDLWRPWPAD-UHFFFAOYSA-N 0 3 329.360 1.811 20 5 EDBDHN CC[C@@H](C)C[C@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592430652 448832590 /nfs/dbraw/zinc/83/25/90/448832590.db2.gz YNSARAVSRUECIF-CHWSQXEVSA-N 0 3 344.433 1.755 20 5 EDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000579976448 448929043 /nfs/dbraw/zinc/92/90/43/448929043.db2.gz KIYQMHZXTMSQQW-GMXVVIOVSA-N 0 3 333.392 1.374 20 5 EDBDHN C[C@H]1CCCN(CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000589107780 448969622 /nfs/dbraw/zinc/96/96/22/448969622.db2.gz YWFIRXGDMZJCBR-NSHDSACASA-N 0 3 342.421 1.386 20 5 EDBDHN CC(C)Oc1nc(NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000520838160 448937669 /nfs/dbraw/zinc/93/76/69/448937669.db2.gz RPKGYKBJRNGKOS-ZDUSSCGKSA-N 0 3 338.408 2.036 20 5 EDBDHN CNc1nccc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000521988576 449036502 /nfs/dbraw/zinc/03/65/02/449036502.db2.gz LKHBASSUYHVVNG-NEPJUHHUSA-N 0 3 335.408 1.882 20 5 EDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597859612 449126616 /nfs/dbraw/zinc/12/66/16/449126616.db2.gz WGMZUDKKPMBVOJ-LLVKDONJSA-N 0 3 335.360 1.926 20 5 EDBDHN CC(C)(C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000599939952 449118268 /nfs/dbraw/zinc/11/82/68/449118268.db2.gz KADRAETYFMQNSU-KGLIPLIRSA-N 0 3 347.415 1.540 20 5 EDBDHN CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(C)C1 ZINC000597945559 449154243 /nfs/dbraw/zinc/15/42/43/449154243.db2.gz IDAXFBOMRFTAHK-OAHLLOKOSA-N 0 3 343.387 1.947 20 5 EDBDHN COC(=O)c1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590442599 449164369 /nfs/dbraw/zinc/16/43/69/449164369.db2.gz GHEPYOJEOPBYAX-HZMBPMFUSA-N 0 3 333.344 1.158 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590444166 449165515 /nfs/dbraw/zinc/16/55/15/449165515.db2.gz LSLCEARHWJYNOX-YMTOWFKASA-N 0 3 325.315 1.578 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590443631 449165966 /nfs/dbraw/zinc/16/59/66/449165966.db2.gz LFJNVTODRMRVBN-WBMJQRKESA-N 0 3 330.388 1.945 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593233275 449180683 /nfs/dbraw/zinc/18/06/83/449180683.db2.gz NYLPKVAKLNBNJS-UHFFFAOYSA-N 0 3 348.403 1.058 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC3(CCOC3)CC2)c1 ZINC000611177773 449203651 /nfs/dbraw/zinc/20/36/51/449203651.db2.gz KZVXQOCFWICVEZ-OAHLLOKOSA-N 0 3 336.388 1.837 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000590589069 449204663 /nfs/dbraw/zinc/20/46/63/449204663.db2.gz LKMLSBPPLDUOHI-CMPLNLGQSA-N 0 3 343.405 1.317 20 5 EDBDHN C[C@@H](C(=O)NC[C@H](O)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602166076 449396979 /nfs/dbraw/zinc/39/69/79/449396979.db2.gz WGCAWJDHWXEQQM-CJNGLKHVSA-N 0 3 335.404 1.661 20 5 EDBDHN COCCN1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702517 449387925 /nfs/dbraw/zinc/38/79/25/449387925.db2.gz VCXYHPIEEJDJRL-UHFFFAOYSA-N 0 3 331.376 1.697 20 5 EDBDHN CC(C)N1CCN([C@@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596157754 449388895 /nfs/dbraw/zinc/38/88/95/449388895.db2.gz DRZIPXWCSGXDNN-CYBMUJFWSA-N 0 3 335.408 1.300 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCN1 ZINC000598573807 449471665 /nfs/dbraw/zinc/47/16/65/449471665.db2.gz OVYXVPMRRMTVEI-AWEZNQCLSA-N 0 3 344.375 1.246 20 5 EDBDHN CC(C)(C)c1ccc(C(=O)N2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000596581069 449560649 /nfs/dbraw/zinc/56/06/49/449560649.db2.gz VKDWGJOFULLPBT-UHFFFAOYSA-N 0 3 333.388 1.707 20 5 EDBDHN CCNCc1ccn(Cc2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC000594640922 449600869 /nfs/dbraw/zinc/60/08/69/449600869.db2.gz PTTDIFTWCUFHNQ-UHFFFAOYSA-N 0 3 327.348 1.530 20 5 EDBDHN CC(C)(CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCOCC1 ZINC000602638513 449721443 /nfs/dbraw/zinc/72/14/43/449721443.db2.gz UQRMTYQFYKFFJA-UHFFFAOYSA-N 0 3 333.392 1.672 20 5 EDBDHN COCCN(C)CCN1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000601177923 449735187 /nfs/dbraw/zinc/73/51/87/449735187.db2.gz DWYURYSADIHYQP-AWEZNQCLSA-N 0 3 336.392 1.186 20 5 EDBDHN NC(=O)[C@H]1C[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602697227 449755520 /nfs/dbraw/zinc/75/55/20/449755520.db2.gz DYGDOERHMFVTGD-OLQVQODUSA-N 0 3 334.195 1.772 20 5 EDBDHN O=[N+]([O-])c1ccccc1CNS(=O)(=O)CCCN1CCCC1 ZINC000601308644 449818838 /nfs/dbraw/zinc/81/88/38/449818838.db2.gz BFAYCOJBCYGVIN-UHFFFAOYSA-N 0 3 327.406 1.500 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC12CC(C1)C[NH2+]2 ZINC000595121606 449882645 /nfs/dbraw/zinc/88/26/45/449882645.db2.gz GHEYDAXERORBJA-UHFFFAOYSA-N 0 3 331.781 1.279 20 5 EDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000601422308 449939572 /nfs/dbraw/zinc/93/95/72/449939572.db2.gz PQTXEUKIEQCCET-WDEREUQCSA-N 0 3 343.405 1.317 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597586034 450129146 /nfs/dbraw/zinc/12/91/46/450129146.db2.gz KGUHFNDSNAOCPQ-INIZCTEOSA-N 0 3 339.367 1.192 20 5 EDBDHN CNS(=O)(=O)C[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599694437 450158687 /nfs/dbraw/zinc/15/86/87/450158687.db2.gz UCEZXQOPDDDOHO-CQSZACIVSA-N 0 3 341.433 1.399 20 5 EDBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](CO)CN(C)C ZINC000597655683 450174604 /nfs/dbraw/zinc/17/46/04/450174604.db2.gz ZYVGHAZSAUFAQC-KOLCDFICSA-N 0 3 345.783 1.054 20 5 EDBDHN COCC1(NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCOCC1 ZINC000595498506 450186365 /nfs/dbraw/zinc/18/63/65/450186365.db2.gz DJMJMPMFLMIZDV-UHFFFAOYSA-N 0 3 337.376 1.627 20 5 EDBDHN CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000610484785 450239514 /nfs/dbraw/zinc/23/95/14/450239514.db2.gz CRHZFBSMILQYCC-UHFFFAOYSA-N 0 3 343.387 1.816 20 5 EDBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cnc[nH]1 ZINC000595592806 450251339 /nfs/dbraw/zinc/25/13/39/450251339.db2.gz QSKFKPCZYQRMSI-UHFFFAOYSA-N 0 3 331.332 1.748 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCN([C@H]4CCC[C@H]4O)CC3)nc2c1 ZINC000618584713 450253205 /nfs/dbraw/zinc/25/32/05/450253205.db2.gz HFPWOVDQBVEURB-LSDHHAIUSA-N 0 3 331.376 1.507 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)c2ccccc2O1 ZINC000610761961 450326187 /nfs/dbraw/zinc/32/61/87/450326187.db2.gz QMNXMINTOHXJGN-GFCCVEGCSA-N 0 3 344.371 1.903 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459648021 486636792 /nfs/dbraw/zinc/63/67/92/486636792.db2.gz BPDTXTPUVWMFOU-IJEWVQPXSA-N 0 3 348.399 1.835 20 5 EDBDHN COc1cc(CCNC(=O)[C@@H](N)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000178348938 533764311 /nfs/dbraw/zinc/76/43/11/533764311.db2.gz RBZISMUSJZKRGO-CQSZACIVSA-N 0 3 339.392 1.644 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000184324471 533915141 /nfs/dbraw/zinc/91/51/41/533915141.db2.gz PVRQQXMCZOWTRK-GFCCVEGCSA-N 0 3 338.383 1.490 20 5 EDBDHN CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271435790 535803912 /nfs/dbraw/zinc/80/39/12/535803912.db2.gz FLTQUKRXNSVAHH-GFCCVEGCSA-N 0 3 327.406 1.651 20 5 EDBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270790150 535864335 /nfs/dbraw/zinc/86/43/35/535864335.db2.gz LVYVPOYOEUBGAI-UHFFFAOYSA-N 0 3 349.366 1.671 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000353211791 536476765 /nfs/dbraw/zinc/47/67/65/536476765.db2.gz VFFPDHQTEBNCQC-GXTWGEPZSA-N 0 3 338.360 1.540 20 5 EDBDHN CNS(=O)(=O)c1ccc(NCCN2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000742426849 579451814 /nfs/dbraw/zinc/45/18/14/579451814.db2.gz CLAPOBIWBIWFFA-NSHDSACASA-N 0 3 342.421 1.399 20 5 EDBDHN CN(C)CCOC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000738210240 578624534 /nfs/dbraw/zinc/62/45/34/578624534.db2.gz PZFHIJXUJAQZDO-UHFFFAOYSA-N 0 3 347.419 1.945 20 5 EDBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN2CCC[C@@H]2C1 ZINC000732042789 578688217 /nfs/dbraw/zinc/68/82/17/578688217.db2.gz FUGMRCBRGQIZFN-CQSZACIVSA-N 0 3 330.388 1.771 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000750094802 579751797 /nfs/dbraw/zinc/75/17/97/579751797.db2.gz RECMGYCLQWBJHK-WMLDXEAASA-N 0 3 335.404 1.282 20 5 EDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771510080 580288200 /nfs/dbraw/zinc/28/82/00/580288200.db2.gz RJVWGFJSPVVFBE-NSHDSACASA-N 0 3 347.400 1.814 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000771800166 580294414 /nfs/dbraw/zinc/29/44/14/580294414.db2.gz GUIDCCRLQOMYEV-CYBMUJFWSA-N 0 3 337.376 1.683 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1C ZINC000781989268 580562716 /nfs/dbraw/zinc/56/27/16/580562716.db2.gz FZINRLKRJFMQSB-XHBSWPGZSA-N 0 3 346.387 1.687 20 5 EDBDHN C/C(=C\C(=O)N1CCN(CCN(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785062616 580634846 /nfs/dbraw/zinc/63/48/46/580634846.db2.gz JLMGGUCNTOKSFW-CCEZHUSRSA-N 0 3 346.431 1.704 20 5 EDBDHN CN(C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000786780998 580679063 /nfs/dbraw/zinc/67/90/63/580679063.db2.gz GLKIVUZRADVMRG-LBPRGKRZSA-N 0 3 341.433 1.776 20 5 EDBDHN Cc1cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000788207708 580714088 /nfs/dbraw/zinc/71/40/88/580714088.db2.gz GXQBDTDYQVBRMR-MRXNPFEDSA-N 0 3 336.392 1.014 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791255216 580787513 /nfs/dbraw/zinc/78/75/13/580787513.db2.gz RCMSCUSCYHLCHZ-HNNXBMFYSA-N 0 3 341.795 1.777 20 5 EDBDHN COC(=O)[C@H]1[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C[C@@H]21 ZINC000794970349 580909473 /nfs/dbraw/zinc/90/94/73/580909473.db2.gz YIVCLSOSYKIZPW-VIKVFOODSA-N 0 3 347.371 1.583 20 5 EDBDHN COc1c(O)ccc(CN[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000892580770 591079512 /nfs/dbraw/zinc/07/95/12/591079512.db2.gz MFDIDSSTFDRIMC-LLVKDONJSA-N 0 3 325.365 1.119 20 5 EDBDHN CS[C@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000893001860 591251607 /nfs/dbraw/zinc/25/16/07/591251607.db2.gz PDWQTIORYVINRW-OLZOCXBDSA-N 0 3 326.378 1.985 20 5 EDBDHN C[C@@H]1[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCN1C ZINC000895740922 591262789 /nfs/dbraw/zinc/26/27/89/591262789.db2.gz USLOCWMESZZQJQ-PWSUYJOCSA-N 0 3 342.421 1.350 20 5 EDBDHN O=[N+]([O-])c1c(NC[C@@H]2CCN2C2CCOCC2)nc2sccn21 ZINC000896515386 591487697 /nfs/dbraw/zinc/48/76/97/591487697.db2.gz BYUBYRAWCBFEQM-NSHDSACASA-N 0 3 337.405 1.969 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1C ZINC000896708632 591588797 /nfs/dbraw/zinc/58/87/97/591588797.db2.gz VOYWXHQPGDWOTD-ZDUSSCGKSA-N 0 3 348.447 1.825 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(N2CC[C@H]3[C@H]2CCCN3CCO)cc1F ZINC000897219253 591773298 /nfs/dbraw/zinc/77/32/98/591773298.db2.gz JXOGDRFJRJVHJA-UONOGXRCSA-N 0 3 339.367 1.262 20 5 EDBDHN O=C(CNC1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000895487342 591773798 /nfs/dbraw/zinc/77/37/98/591773798.db2.gz FMBXWGREEASQSC-UHFFFAOYSA-N 0 3 341.371 1.674 20 5 EDBDHN CNCCN(C(C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000903589736 592225854 /nfs/dbraw/zinc/22/58/54/592225854.db2.gz JZHDIVVQBIQYGE-UHFFFAOYSA-N 0 3 335.813 1.867 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000908278376 592422117 /nfs/dbraw/zinc/42/21/17/592422117.db2.gz HADSIPYZBWVRPG-DOMZBBRYSA-N 0 3 335.360 1.795 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(C)CCN(C)C1 ZINC000908282124 592423165 /nfs/dbraw/zinc/42/31/65/592423165.db2.gz SMQQEZPIKQMMCI-UHFFFAOYSA-N 0 3 336.392 1.425 20 5 EDBDHN CCN1CC[C@H]2OCCN(Cn3ncc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000840084713 593147209 /nfs/dbraw/zinc/14/72/09/593147209.db2.gz XFWIQPKDQHIDOF-DLBZAZTESA-N 0 3 345.403 1.697 20 5 EDBDHN CN1CC[C@@H]2CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000840133917 593250765 /nfs/dbraw/zinc/25/07/65/593250765.db2.gz UUTVBPWESUJURZ-HIFRSBDPSA-N 0 3 328.376 1.447 20 5 EDBDHN CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C2=O ZINC000813104692 593517928 /nfs/dbraw/zinc/51/79/28/593517928.db2.gz FVUAHEFIQWQWPN-RWWNRMGGSA-N 0 3 341.364 1.086 20 5 EDBDHN Cc1cc(NC(=O)[C@H](C)SCC(=O)OCC(C)[N+](=O)[O-])no1 ZINC000813107704 593518078 /nfs/dbraw/zinc/51/80/78/593518078.db2.gz UPRADMKUBRQTMF-APPZFPTMSA-N 0 3 331.350 1.252 20 5 EDBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[N+](=O)[O-] ZINC000813111295 593518432 /nfs/dbraw/zinc/51/84/32/593518432.db2.gz QYFWZKSYSCWSEU-NSHDSACASA-N 0 3 342.373 1.293 20 5 EDBDHN CC(C)n1ncc2cc(C=CC(=O)OCC(C)[N+](=O)[O-])c(=O)[nH]c21 ZINC000813111314 593518644 /nfs/dbraw/zinc/51/86/44/593518644.db2.gz GKPKZJHIYBYNDL-UMCURTJPSA-N 0 3 334.332 1.527 20 5 EDBDHN C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625105 593885463 /nfs/dbraw/zinc/88/54/63/593885463.db2.gz FWMKIMYPCVTROE-RISCZKNCSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625105 593885465 /nfs/dbraw/zinc/88/54/65/593885465.db2.gz FWMKIMYPCVTROE-RISCZKNCSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625105 593885467 /nfs/dbraw/zinc/88/54/67/593885467.db2.gz FWMKIMYPCVTROE-RISCZKNCSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625105 593885468 /nfs/dbraw/zinc/88/54/68/593885468.db2.gz FWMKIMYPCVTROE-RISCZKNCSA-N 0 3 343.391 1.695 20 5 EDBDHN COCCN(C)C[C@@H](O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821391298 594035660 /nfs/dbraw/zinc/03/56/60/594035660.db2.gz JFMIBLXURMKZIE-CQSZACIVSA-N 0 3 345.827 1.619 20 5 EDBDHN C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000826033547 594311142 /nfs/dbraw/zinc/31/11/42/594311142.db2.gz GUSFWROATOIPJT-UHFFFAOYSA-N 0 3 343.391 1.840 20 5 EDBDHN C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000826033547 594311144 /nfs/dbraw/zinc/31/11/44/594311144.db2.gz GUSFWROATOIPJT-UHFFFAOYSA-N 0 3 343.391 1.840 20 5 EDBDHN C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000826033547 594311145 /nfs/dbraw/zinc/31/11/45/594311145.db2.gz GUSFWROATOIPJT-UHFFFAOYSA-N 0 3 343.391 1.840 20 5 EDBDHN C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000826033547 594311147 /nfs/dbraw/zinc/31/11/47/594311147.db2.gz GUSFWROATOIPJT-UHFFFAOYSA-N 0 3 343.391 1.840 20 5 EDBDHN CC(C)CN(CC1CCN(C)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000829584257 594645070 /nfs/dbraw/zinc/64/50/70/594645070.db2.gz XUOFLSAYZMWBLH-UHFFFAOYSA-N 0 3 337.424 1.768 20 5 EDBDHN CCO[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)CN(C)C ZINC000831751127 594699344 /nfs/dbraw/zinc/69/93/44/594699344.db2.gz DQCHVPHGZDRTMN-LBPRGKRZSA-N 0 3 343.355 1.196 20 5 EDBDHN C[C@@H](CN)N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000841178881 594864404 /nfs/dbraw/zinc/86/44/04/594864404.db2.gz UVBSMKSEJJLQAA-JTQLQIEISA-N 0 3 336.392 1.636 20 5 EDBDHN CN(C)C1(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000841454785 594902408 /nfs/dbraw/zinc/90/24/08/594902408.db2.gz ICBFBMCQJXMAJP-CQSZACIVSA-N 0 3 332.360 1.298 20 5 EDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCN1CCN(C)CC1 ZINC000843757074 595179091 /nfs/dbraw/zinc/17/90/91/595179091.db2.gz IYIBZFVHLCOFLU-UHFFFAOYSA-N 0 3 338.383 1.410 20 5 EDBDHN O=C1O[C@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CN1C1CC1 ZINC000844324710 595324712 /nfs/dbraw/zinc/32/47/12/595324712.db2.gz PYNVMNRFFRPRAM-CYBMUJFWSA-N 0 3 335.364 1.411 20 5 EDBDHN COCCN1CCC(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000847880288 595495333 /nfs/dbraw/zinc/49/53/33/595495333.db2.gz HWYHHKMGDUWVOF-UHFFFAOYSA-N 0 3 338.360 1.871 20 5 EDBDHN O=C([N-]C[C@H]1C[NH2+]CCCO1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768375 595601614 /nfs/dbraw/zinc/60/16/14/595601614.db2.gz OZRPUIHSVOSOOM-GFCCVEGCSA-N 0 3 345.302 1.061 20 5 EDBDHN CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000855360547 595685458 /nfs/dbraw/zinc/68/54/58/595685458.db2.gz HDDOZUXMDMNOBF-CYBMUJFWSA-N 0 3 335.360 1.339 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCNCCC2(C)C)c(C)cc1[N+](=O)[O-] ZINC000866803574 596355239 /nfs/dbraw/zinc/35/52/39/596355239.db2.gz XHGYWXIHERGHNZ-UHFFFAOYSA-N 0 3 341.433 1.974 20 5 EDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000862629008 596367087 /nfs/dbraw/zinc/36/70/87/596367087.db2.gz LWGZXDARGJPWIH-GFCCVEGCSA-N 0 3 333.392 1.709 20 5 EDBDHN C[C@@H]1C[C@@H](N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CCN1C ZINC000863504835 596603910 /nfs/dbraw/zinc/60/39/10/596603910.db2.gz YYFFWVJTKZRNAZ-BTJLNZGRSA-N 0 3 346.387 1.845 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000869778762 596630375 /nfs/dbraw/zinc/63/03/75/596630375.db2.gz JIFSYFJTFOXHBI-JTQLQIEISA-N 0 3 341.795 1.823 20 5 EDBDHN COc1cccc(N2CCC(N3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000866212973 596829887 /nfs/dbraw/zinc/82/98/87/596829887.db2.gz LTFMIEXHDGJSQQ-UHFFFAOYSA-N 0 3 334.420 1.820 20 5 EDBDHN CN(CCN1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])c2nonc21 ZINC000866256245 596839054 /nfs/dbraw/zinc/83/90/54/596839054.db2.gz HQMBOYCDHRNJPD-UHFFFAOYSA-N 0 3 347.375 1.680 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCOCCS(C)(=O)=O ZINC000873060495 597175676 /nfs/dbraw/zinc/17/56/76/597175676.db2.gz KBTFRTMRTKHBAU-UHFFFAOYSA-N 0 3 330.406 1.362 20 5 EDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000874851149 597201697 /nfs/dbraw/zinc/20/16/97/597201697.db2.gz ZNJIZSPSSMPGLM-HUUCEWRRSA-N 0 3 346.387 1.020 20 5 EDBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1Cc2ccccc2CN1 ZINC000877344009 597496945 /nfs/dbraw/zinc/49/69/45/597496945.db2.gz CGAFQJSRMIHJNF-HNNXBMFYSA-N 0 3 340.383 1.837 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000879990677 597799718 /nfs/dbraw/zinc/79/97/18/597799718.db2.gz FQGLRPRSBHEKFT-NRMKIYEFSA-N 0 3 333.388 1.571 20 5 EDBDHN O=C(N[C@H](CO)CN1CCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000879991344 597799900 /nfs/dbraw/zinc/79/99/00/597799900.db2.gz WKLGUASICSQWOX-AWEZNQCLSA-N 0 3 343.383 1.935 20 5 EDBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000917067971 696907516 /nfs/dbraw/zinc/90/75/16/696907516.db2.gz GFINKMNUPLNGRU-LLVKDONJSA-N 0 3 334.380 1.569 20 5 EDBDHN COc1ccc(CNC(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000559517028 306255929 /nfs/dbraw/zinc/25/59/29/306255929.db2.gz HKNOQIWAFIWSGY-AWEZNQCLSA-N 0 3 348.403 1.983 20 5 EDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562786317 306308806 /nfs/dbraw/zinc/30/88/06/306308806.db2.gz BUQYMGLRZOBYBW-RYUDHWBXSA-N 0 3 329.422 1.882 20 5 EDBDHN CN1CC[C@H]2OCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC000345565204 283155488 /nfs/dbraw/zinc/15/54/88/283155488.db2.gz HHDGIRBIKYQPIA-LSDHHAIUSA-N 0 3 344.371 1.621 20 5 EDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000367325326 283349836 /nfs/dbraw/zinc/34/98/36/283349836.db2.gz CFWFZGANEQZBDJ-CQSZACIVSA-N 0 3 333.392 1.096 20 5 EDBDHN Cc1cc([N+](=O)[O-])cn(C[C@@H](O)CN2CCc3ccccc3C2)c1=O ZINC000414135126 304101851 /nfs/dbraw/zinc/10/18/51/304101851.db2.gz DEMJUHAXWLXBIG-KRWDZBQOSA-N 0 3 343.383 1.484 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cccc1[N+](=O)[O-] ZINC000072639606 216286618 /nfs/dbraw/zinc/28/66/18/216286618.db2.gz IGDBLYKREDENLU-OLZOCXBDSA-N 0 3 346.387 1.537 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H]1N(C)C ZINC000414462992 304116708 /nfs/dbraw/zinc/11/67/08/304116708.db2.gz IREWFQRYGMPBBA-RYUDHWBXSA-N 0 3 343.405 1.364 20 5 EDBDHN CCN1CCCC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000109966996 220005919 /nfs/dbraw/zinc/00/59/19/220005919.db2.gz UQDPWQSPDMSDLP-HNNXBMFYSA-N 0 3 348.403 1.315 20 5 EDBDHN NCc1cn([C@@H]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000415103281 304160238 /nfs/dbraw/zinc/16/02/38/304160238.db2.gz DASXZVMCHCODDJ-QQNRWZHASA-N 0 3 342.403 1.995 20 5 EDBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000236748596 139030312 /nfs/dbraw/zinc/03/03/12/139030312.db2.gz BSICYVHAIFLVDY-SNVBAGLBSA-N 0 3 331.394 1.399 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000237363098 139049231 /nfs/dbraw/zinc/04/92/31/139049231.db2.gz GTLVLPHOUADBAC-NEPJUHHUSA-N 0 3 329.360 1.603 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000237363122 139049265 /nfs/dbraw/zinc/04/92/65/139049265.db2.gz GTLVLPHOUADBAC-VXGBXAGGSA-N 0 3 329.360 1.603 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249169285 139188302 /nfs/dbraw/zinc/18/83/02/139188302.db2.gz KWURKPLPQJZXTL-GXTWGEPZSA-N 0 3 348.403 1.783 20 5 EDBDHN CN(C)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000569504277 306509178 /nfs/dbraw/zinc/50/91/78/306509178.db2.gz UXNSZMNZSDAGDO-RYUDHWBXSA-N 0 3 347.293 1.361 20 5 EDBDHN NC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000152756447 224008066 /nfs/dbraw/zinc/00/80/66/224008066.db2.gz NXIVFKVMHFBFRZ-UHFFFAOYSA-N 0 3 325.368 1.750 20 5 EDBDHN CCCCN(C)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000112310083 220298660 /nfs/dbraw/zinc/29/86/60/220298660.db2.gz ATFXKFVKSXTCTA-UHFFFAOYSA-N 0 3 337.376 1.843 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000264124474 139381682 /nfs/dbraw/zinc/38/16/82/139381682.db2.gz LLZSVUNFSARTSK-UHFFFAOYSA-N 0 3 341.433 1.866 20 5 EDBDHN CN(C)[C@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000264635269 139421418 /nfs/dbraw/zinc/42/14/18/139421418.db2.gz SKMCWFJHQWTTSB-AWEZNQCLSA-N 0 3 327.406 1.451 20 5 EDBDHN COCCN(CCN(C)C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271726883 140340198 /nfs/dbraw/zinc/34/01/98/140340198.db2.gz MTORMQRWMBBQAK-CYBMUJFWSA-N 0 3 338.408 1.875 20 5 EDBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1F ZINC000271777331 140348717 /nfs/dbraw/zinc/34/87/17/140348717.db2.gz KBBGSTHLSLQMKO-MWLCHTKSSA-N 0 3 326.303 1.781 20 5 EDBDHN CCN1C[C@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346188345 143176991 /nfs/dbraw/zinc/17/69/91/143176991.db2.gz JDCKQSLOKICLLK-DZKIICNBSA-N 0 3 337.420 1.749 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)n1 ZINC000346883188 143255803 /nfs/dbraw/zinc/25/58/03/143255803.db2.gz AHWYTJYBOHNEPH-NXEZZACHSA-N 0 3 345.363 1.717 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)n1 ZINC000346883193 143255861 /nfs/dbraw/zinc/25/58/61/143255861.db2.gz AHWYTJYBOHNEPH-UWVGGRQHSA-N 0 3 345.363 1.717 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000347138785 143286791 /nfs/dbraw/zinc/28/67/91/143286791.db2.gz UZSLZPJVTPHOFC-MRXNPFEDSA-N 0 3 346.431 1.547 20 5 EDBDHN CC(C)(CCO)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572721848 306597823 /nfs/dbraw/zinc/59/78/23/306597823.db2.gz HHTZTDVRLOLQGI-UHFFFAOYSA-N 0 3 330.406 1.367 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CSC[C@H]1C ZINC000352818008 149179842 /nfs/dbraw/zinc/17/98/42/149179842.db2.gz SGYZNHTWUCNXNF-BXKDBHETSA-N 0 3 325.390 1.883 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@@](C)(CO)C(C)C)c([N+](=O)[O-])c1 ZINC000352908934 149212046 /nfs/dbraw/zinc/21/20/46/149212046.db2.gz IRFFCYDGEKSSOA-INIZCTEOSA-N 0 3 339.392 1.929 20 5 EDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2n[nH]cc2c1 ZINC000353284399 149352234 /nfs/dbraw/zinc/35/22/34/149352234.db2.gz DVDPBEAXEZXZEN-IINYFYTJSA-N 0 3 330.348 1.379 20 5 EDBDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357594569 151078592 /nfs/dbraw/zinc/07/85/92/151078592.db2.gz NIWMAFXXOFNNTO-QMMMGPOBSA-N 0 3 328.756 1.253 20 5 EDBDHN CN(C)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000357965100 151212725 /nfs/dbraw/zinc/21/27/25/151212725.db2.gz PDRPYNFMQLAJFU-ZDUSSCGKSA-N 0 3 331.376 1.231 20 5 EDBDHN Cc1nc(N2CCC[C@@H](CN3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000360471457 152057739 /nfs/dbraw/zinc/05/77/39/152057739.db2.gz BEFDHJXKGUEVNX-HNNXBMFYSA-N 0 3 333.436 1.762 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000360845792 152228260 /nfs/dbraw/zinc/22/82/60/152228260.db2.gz BTFOTHLKJCYEER-YOEHRIQHSA-N 0 3 346.431 1.693 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN(CCC(=O)N(C)C)CC2)n1 ZINC000360882064 152240846 /nfs/dbraw/zinc/24/08/46/152240846.db2.gz COFXVRGBSCBGSB-UHFFFAOYSA-N 0 3 335.408 1.653 20 5 EDBDHN CNS(=O)(=O)c1ccc(N[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000361065548 152293518 /nfs/dbraw/zinc/29/35/18/152293518.db2.gz KTRHDMZADZEYJQ-MNOVXSKESA-N 0 3 342.421 1.398 20 5 EDBDHN CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000361377837 152376821 /nfs/dbraw/zinc/37/68/21/152376821.db2.gz KUQJTZNGZSPGRM-CABCVRRESA-N 0 3 349.435 1.965 20 5 EDBDHN O=C1NCCN1[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363636497 153018707 /nfs/dbraw/zinc/01/87/07/153018707.db2.gz BXJKRGXYDNYMCB-OAHLLOKOSA-N 0 3 348.403 1.853 20 5 EDBDHN CN1CCC(NC(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000364365262 153217829 /nfs/dbraw/zinc/21/78/29/153217829.db2.gz WCVQPGMOMSUYDP-CYBMUJFWSA-N 0 3 336.396 1.232 20 5 EDBDHN COCCCN(C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491924533 292333783 /nfs/dbraw/zinc/33/37/83/292333783.db2.gz JNDRNVYWJARPKZ-ALCCZGGFSA-N 0 3 339.367 1.832 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000372156254 156247274 /nfs/dbraw/zinc/24/72/74/156247274.db2.gz NONRWOVAXFRMCG-IXDOHACOSA-N 0 3 335.404 1.159 20 5 EDBDHN CN(C)C[C@H]1CCCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000081790933 287315782 /nfs/dbraw/zinc/31/57/82/287315782.db2.gz FCIFXICJTBDCNI-OAHLLOKOSA-N 0 3 348.403 1.267 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)C(=O)N(C)C ZINC000114186452 287342746 /nfs/dbraw/zinc/34/27/46/287342746.db2.gz KSUBOHXVJUIZIT-UHFFFAOYSA-N 0 3 336.392 1.688 20 5 EDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000273477738 268047921 /nfs/dbraw/zinc/04/79/21/268047921.db2.gz JRWIITMCWZQDHR-ZFWWWQNUSA-N 0 3 339.417 1.641 20 5 EDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000273477738 268047923 /nfs/dbraw/zinc/04/79/23/268047923.db2.gz JRWIITMCWZQDHR-ZFWWWQNUSA-N 0 3 339.417 1.641 20 5 EDBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000273477738 268047924 /nfs/dbraw/zinc/04/79/24/268047924.db2.gz JRWIITMCWZQDHR-ZFWWWQNUSA-N 0 3 339.417 1.641 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000274128123 268107290 /nfs/dbraw/zinc/10/72/90/268107290.db2.gz XZRCAODZTFWXIR-LBPRGKRZSA-N 0 3 325.365 1.539 20 5 EDBDHN CN(C)C1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC000275709661 268371164 /nfs/dbraw/zinc/37/11/64/268371164.db2.gz CJGKTCSEXMZBCQ-UHFFFAOYSA-N 0 3 325.340 1.713 20 5 EDBDHN CN(C)CCN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000044681138 272911125 /nfs/dbraw/zinc/91/11/25/272911125.db2.gz VUDXLJWUSYJNRO-UHFFFAOYSA-N 0 3 331.376 1.382 20 5 EDBDHN COC(=O)c1cn(CCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000276348065 273162063 /nfs/dbraw/zinc/16/20/63/273162063.db2.gz VUDOQHLHFIBSMK-LLVKDONJSA-N 0 3 333.348 1.632 20 5 EDBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000278948483 273275258 /nfs/dbraw/zinc/27/52/58/273275258.db2.gz YNHYVCRUVHTTLY-LBPRGKRZSA-N 0 3 349.391 1.707 20 5 EDBDHN COC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000279143943 273283183 /nfs/dbraw/zinc/28/31/83/273283183.db2.gz XUVPNDMRZZURSN-VNQPRFMTSA-N 0 3 340.376 1.118 20 5 EDBDHN Cc1cc(S(=O)(=O)NC2(CN(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281438092 273473195 /nfs/dbraw/zinc/47/31/95/273473195.db2.gz GXFYGXMBXQNFGG-UHFFFAOYSA-N 0 3 327.406 1.666 20 5 EDBDHN CN1CCO[C@@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284767341 274323966 /nfs/dbraw/zinc/32/39/66/274323966.db2.gz MLLICJZIDRCBBX-HZPDHXFCSA-N 0 3 348.403 1.328 20 5 EDBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000130651252 274664719 /nfs/dbraw/zinc/66/47/19/274664719.db2.gz FMLBLBLPOYZGJQ-OBJOEFQTSA-N 0 3 348.403 1.864 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@H](N(C)C)C2)n1 ZINC000286501432 288021118 /nfs/dbraw/zinc/02/11/18/288021118.db2.gz MZIVPIQUCZFXNW-VXGBXAGGSA-N 0 3 340.405 1.258 20 5 EDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286722838 288070678 /nfs/dbraw/zinc/07/06/78/288070678.db2.gz NJOXBUZOVLIWMB-WFASDCNBSA-N 0 3 339.417 1.842 20 5 EDBDHN Cc1cccc(N2CCN([C@@H]3CCNC(=O)CC3)CC2)c1[N+](=O)[O-] ZINC000450890507 281228624 /nfs/dbraw/zinc/22/86/24/281228624.db2.gz HFJZTTWZKLQZAX-AWEZNQCLSA-N 0 3 332.404 1.694 20 5 EDBDHN CN(C)CC[C@](C)(O)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000352125589 289185666 /nfs/dbraw/zinc/18/56/66/289185666.db2.gz JJTHDCKCWWPUCJ-INIZCTEOSA-N 0 3 338.408 1.216 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292119268 289265719 /nfs/dbraw/zinc/26/57/19/289265719.db2.gz WLZWQDUTSMLLHV-OAHLLOKOSA-N 0 3 339.417 1.620 20 5 EDBDHN CN1CCC[C@]2(CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294298647 303088584 /nfs/dbraw/zinc/08/85/84/303088584.db2.gz VQSBBPOEYAPITJ-KRWDZBQOSA-N 0 3 333.388 1.918 20 5 EDBDHN CC[C@H](CNS(C)(=O)=O)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000295836925 303273518 /nfs/dbraw/zinc/27/35/18/303273518.db2.gz AHESIXIGCMBZRS-DOMZBBRYSA-N 0 3 341.433 1.890 20 5 EDBDHN COCCCN(C)CCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000297212446 303373354 /nfs/dbraw/zinc/37/33/54/303373354.db2.gz SEUWJJCOGHHLMG-UHFFFAOYSA-N 0 3 339.392 1.691 20 5 EDBDHN Cc1nn(C)c(NC2CCN(CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000301473311 303680097 /nfs/dbraw/zinc/68/00/97/303680097.db2.gz LVXYDDOUPITLBZ-UHFFFAOYSA-N 0 3 325.413 1.938 20 5 EDBDHN CC1CCN(C[C@H](O)CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301892272 303701960 /nfs/dbraw/zinc/70/19/60/303701960.db2.gz AERPPNHCHFZUAB-GFCCVEGCSA-N 0 3 334.380 1.142 20 5 EDBDHN CN(C)C1(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000351593886 303813531 /nfs/dbraw/zinc/81/35/31/303813531.db2.gz AAMVPGUTBHNCRC-UHFFFAOYSA-N 0 3 338.339 1.273 20 5 EDBDHN O=C(NC[C@H]1CNCCO1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000423989606 304922905 /nfs/dbraw/zinc/92/29/05/304922905.db2.gz IQOJWBOGNRJLJD-SECBINFHSA-N 0 3 333.266 1.332 20 5 EDBDHN COc1cc(C(=O)N[C@@H]2CNCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000449655483 305316310 /nfs/dbraw/zinc/31/63/10/305316310.db2.gz HDKYECWEVPAJKG-GFCCVEGCSA-N 0 3 345.302 1.339 20 5 EDBDHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451404459 305343915 /nfs/dbraw/zinc/34/39/15/305343915.db2.gz GKXLRLKGCYKUTQ-SCVCMEIPSA-N 0 3 336.314 1.815 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1COCC1(C)C ZINC000451805040 305370166 /nfs/dbraw/zinc/37/01/66/305370166.db2.gz AQAWNQNKEHATLC-IINYFYTJSA-N 0 3 337.376 1.945 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCCN(CCCO)C1 ZINC000452385047 305396077 /nfs/dbraw/zinc/39/60/77/305396077.db2.gz STIRQWYCMFHUNM-ZDUSSCGKSA-N 0 3 339.367 1.239 20 5 EDBDHN CN1CCC(CCO)(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492435596 305591150 /nfs/dbraw/zinc/59/11/50/305591150.db2.gz FSMLJTAPGRWOSX-QPJJXVBHSA-N 0 3 333.388 1.571 20 5 EDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000552155307 306176466 /nfs/dbraw/zinc/17/64/66/306176466.db2.gz PJRAJHXPZALCJC-SWHYSGLUSA-N 0 3 339.417 1.209 20 5 EDBDHN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000552308479 306178880 /nfs/dbraw/zinc/17/88/80/306178880.db2.gz VJSMOMMRGZADPU-SECBINFHSA-N 0 3 342.783 1.044 20 5 EDBDHN CN1CCNC[C@@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414963474 447375425 /nfs/dbraw/zinc/37/54/25/447375425.db2.gz KWBNCEVHKZMPIT-CYBMUJFWSA-N 0 3 330.388 1.848 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000415430141 447432295 /nfs/dbraw/zinc/43/22/95/447432295.db2.gz SPOOWYUKAYQLDR-OAHLLOKOSA-N 0 3 348.403 1.866 20 5 EDBDHN CC(C)[NH+](CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C ZINC000072717222 441254189 /nfs/dbraw/zinc/25/41/89/441254189.db2.gz KLAKPBQAZSTXTF-UHFFFAOYSA-N 0 3 344.437 1.777 20 5 EDBDHN C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000062120946 441297512 /nfs/dbraw/zinc/29/75/12/441297512.db2.gz OANOOIUNBGNDBF-CHWSQXEVSA-N 0 3 348.403 1.770 20 5 EDBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000024086375 441304638 /nfs/dbraw/zinc/30/46/38/441304638.db2.gz HDWHBWOICPIZGO-UHFFFAOYSA-N 0 3 342.355 1.717 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1OCC(=O)NC1CCN(C2CC2)CC1 ZINC000031674237 441534497 /nfs/dbraw/zinc/53/44/97/441534497.db2.gz UHEPHUVGFHKZMP-UHFFFAOYSA-N 0 3 349.387 1.725 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](N(C)C)C1 ZINC000109808486 441508516 /nfs/dbraw/zinc/50/85/16/441508516.db2.gz JYVKUXBEZWYEQQ-CYBMUJFWSA-N 0 3 336.392 1.568 20 5 EDBDHN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000114856576 441690905 /nfs/dbraw/zinc/69/09/05/441690905.db2.gz DGEBICNPEMRQNY-GFCCVEGCSA-N 0 3 345.359 1.064 20 5 EDBDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000115579794 441759970 /nfs/dbraw/zinc/75/99/70/441759970.db2.gz PLMNGHMNJITMQH-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115586048 441762092 /nfs/dbraw/zinc/76/20/92/441762092.db2.gz TXJCBEMWTQPRFA-CYBMUJFWSA-N 0 3 341.433 1.866 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000121786696 441780982 /nfs/dbraw/zinc/78/09/82/441780982.db2.gz OBCVROVJONGXHS-ZDUSSCGKSA-N 0 3 348.403 1.703 20 5 EDBDHN CN1CCN(C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000077450582 441782953 /nfs/dbraw/zinc/78/29/53/441782953.db2.gz BJWHRQHLGDPDIW-HNNXBMFYSA-N 0 3 346.431 1.694 20 5 EDBDHN C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000069440359 441936637 /nfs/dbraw/zinc/93/66/37/441936637.db2.gz BYVKGKKHLULLGD-GFCCVEGCSA-N 0 3 336.392 1.756 20 5 EDBDHN CC(C)[C@@H]1CN(C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000151295349 442038545 /nfs/dbraw/zinc/03/85/45/442038545.db2.gz CDZISTZNQBIQDJ-AWEZNQCLSA-N 0 3 331.376 1.883 20 5 EDBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000162409095 442091069 /nfs/dbraw/zinc/09/10/69/442091069.db2.gz NGUFRRGGKJXSPF-CYBMUJFWSA-N 0 3 338.433 1.395 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C2CC2)CC1 ZINC000126081512 442077138 /nfs/dbraw/zinc/07/71/38/442077138.db2.gz AIZLLDAZDHQRQO-UHFFFAOYSA-N 0 3 348.403 1.712 20 5 EDBDHN CN(C)[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000151775091 442118715 /nfs/dbraw/zinc/11/87/15/442118715.db2.gz RWOMKCVUSXDNHN-OAHLLOKOSA-N 0 3 346.391 1.393 20 5 EDBDHN Cc1c(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000120762030 442128495 /nfs/dbraw/zinc/12/84/95/442128495.db2.gz QRPFDAJFKRXXBK-DGCLKSJQSA-N 0 3 348.403 1.783 20 5 EDBDHN C[C@@H]1CCCN(CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000079914655 442096921 /nfs/dbraw/zinc/09/69/21/442096921.db2.gz IJNMRNBCGWUNTN-LLVKDONJSA-N 0 3 331.376 1.975 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000128110428 442245835 /nfs/dbraw/zinc/24/58/35/442245835.db2.gz BCCIDTKMLJGUFZ-ZDUSSCGKSA-N 0 3 343.387 1.995 20 5 EDBDHN COc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177066035 442292977 /nfs/dbraw/zinc/29/29/77/442292977.db2.gz AKYBXDAUSVHFIY-GHMZBOCLSA-N 0 3 349.387 1.967 20 5 EDBDHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130661981 442352851 /nfs/dbraw/zinc/35/28/51/442352851.db2.gz IHOOWMOXOZYJPV-ZIAGYGMSSA-N 0 3 346.387 1.118 20 5 EDBDHN CN1CCC[C@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000171748227 442376227 /nfs/dbraw/zinc/37/62/27/442376227.db2.gz SSDUJVDHFVUUID-CYBMUJFWSA-N 0 3 335.408 1.648 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000191953604 442546719 /nfs/dbraw/zinc/54/67/19/442546719.db2.gz LWTYTJXUJHJGFE-CYBMUJFWSA-N 0 3 341.433 1.832 20 5 EDBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180546639 442620546 /nfs/dbraw/zinc/62/05/46/442620546.db2.gz KAZYOGFPTWCGHB-GRYCIOLGSA-N 0 3 335.408 1.668 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CNCC[C@H]1C ZINC000193412323 442740808 /nfs/dbraw/zinc/74/08/08/442740808.db2.gz WZZKFNZULVVKNH-RNCFNFMXSA-N 0 3 327.406 1.488 20 5 EDBDHN COc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000268176140 442884681 /nfs/dbraw/zinc/88/46/81/442884681.db2.gz KSBFJEMDSJFBJU-GXFFZTMASA-N 0 3 349.387 1.825 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000268310170 442942022 /nfs/dbraw/zinc/94/20/22/442942022.db2.gz ZDDQTMIYLNNCCW-JSGCOSHPSA-N 0 3 341.433 1.782 20 5 EDBDHN O=C1CC[C@@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1 ZINC000296521159 318704706 /nfs/dbraw/zinc/70/47/06/318704706.db2.gz MQMPXYAYQUWAMB-CQSZACIVSA-N 0 3 332.404 1.633 20 5 EDBDHN C[C@@H](C(=O)N1CCO[C@H](CN(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185249656 443169359 /nfs/dbraw/zinc/16/93/59/443169359.db2.gz ISSUPDVZZGOSDP-DGCLKSJQSA-N 0 3 339.367 1.626 20 5 EDBDHN Cc1ccc([C@@H](C)NCCCN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000268941418 443154539 /nfs/dbraw/zinc/15/45/39/443154539.db2.gz SVHLFYAACVUQEM-HIFRSBDPSA-N 0 3 334.420 1.894 20 5 EDBDHN COCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000266534465 443159496 /nfs/dbraw/zinc/15/94/96/443159496.db2.gz NQNVLBIENIMOMZ-PBHICJAKSA-N 0 3 348.403 1.862 20 5 EDBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)Cc2cccc(O)c2)c1[N+](=O)[O-] ZINC000269241669 443246964 /nfs/dbraw/zinc/24/69/64/443246964.db2.gz VTROWPQPDNXPRP-UHFFFAOYSA-N 0 3 347.375 1.536 20 5 EDBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)c1[N+](=O)[O-] ZINC000269241669 443246969 /nfs/dbraw/zinc/24/69/69/443246969.db2.gz VTROWPQPDNXPRP-UHFFFAOYSA-N 0 3 347.375 1.536 20 5 EDBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000264169327 443253438 /nfs/dbraw/zinc/25/34/38/443253438.db2.gz VEZMHNHEQZFXCK-UHFFFAOYSA-N 0 3 327.406 1.557 20 5 EDBDHN CCN1CC[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000413565233 319277796 /nfs/dbraw/zinc/27/77/96/319277796.db2.gz HBGRVNSTJCGIHF-LLVKDONJSA-N 0 3 342.421 1.351 20 5 EDBDHN CCN1CCC[C@@H]1CN(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000267033740 443319366 /nfs/dbraw/zinc/31/93/66/443319366.db2.gz LSTODULCQHBLOB-LLVKDONJSA-N 0 3 342.421 1.163 20 5 EDBDHN CN(CC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000272455937 443324870 /nfs/dbraw/zinc/32/48/70/443324870.db2.gz JYZUUOHOSVREAR-XJKSGUPXSA-N 0 3 332.404 1.584 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000278429225 443329182 /nfs/dbraw/zinc/32/91/82/443329182.db2.gz DARDWBZPHPLCPR-CQSZACIVSA-N 0 3 334.420 1.659 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c1C ZINC000264596346 443339581 /nfs/dbraw/zinc/33/95/81/443339581.db2.gz BWTNMMXFFQVYCO-CYBMUJFWSA-N 0 3 341.433 1.926 20 5 EDBDHN CCN1CCN([C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000278546238 443360070 /nfs/dbraw/zinc/36/00/70/443360070.db2.gz VKVYYTBGTGMEEZ-CQSZACIVSA-N 0 3 344.419 1.687 20 5 EDBDHN O=C1[C@H](N2C[C@H]3CCC[C@@H](C2)N3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420388429 319615339 /nfs/dbraw/zinc/61/53/39/319615339.db2.gz GWVKBBTXRPUIRJ-DVOMOZLQSA-N 0 3 330.388 1.526 20 5 EDBDHN Cc1nc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)n[nH]1 ZINC000270612917 443477163 /nfs/dbraw/zinc/47/71/63/443477163.db2.gz ZQKMMBFOXKNVJR-GFCCVEGCSA-N 0 3 332.364 1.063 20 5 EDBDHN Cc1n[nH]c([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000270612917 443477167 /nfs/dbraw/zinc/47/71/67/443477167.db2.gz ZQKMMBFOXKNVJR-GFCCVEGCSA-N 0 3 332.364 1.063 20 5 EDBDHN Cc1nnc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH]1 ZINC000270612917 443477168 /nfs/dbraw/zinc/47/71/68/443477168.db2.gz ZQKMMBFOXKNVJR-GFCCVEGCSA-N 0 3 332.364 1.063 20 5 EDBDHN CC(C)OCCOC[C@H](O)CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000265276491 443592003 /nfs/dbraw/zinc/59/20/03/443592003.db2.gz VZZQIHZBFKHJEG-QGZVFWFLSA-N 0 3 340.420 1.872 20 5 EDBDHN O=C(CN[C@H]1CCC[C@@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279337687 443558538 /nfs/dbraw/zinc/55/85/38/443558538.db2.gz ULZHMGMMMCMTOI-DOMZBBRYSA-N 0 3 333.388 1.625 20 5 EDBDHN CC(C)(N)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423900115 319825679 /nfs/dbraw/zinc/82/56/79/319825679.db2.gz LRUDBBPYSWYFOQ-UHFFFAOYSA-N 0 3 346.391 1.247 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@@H]2N(C)C)c1C ZINC000429332139 319925741 /nfs/dbraw/zinc/92/57/41/319925741.db2.gz SJTSYMQTBHPGKZ-STQMWFEESA-N 0 3 341.433 1.973 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCOCCN(C)C ZINC000439918458 320053555 /nfs/dbraw/zinc/05/35/55/320053555.db2.gz UQBBHRBPEBTDSU-UHFFFAOYSA-N 0 3 340.380 1.693 20 5 EDBDHN COc1nccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453262505 320261500 /nfs/dbraw/zinc/26/15/00/320261500.db2.gz SRBOPKARBUKZSH-QWHCGFSZSA-N 0 3 332.364 1.863 20 5 EDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCN1CCCO ZINC000493659168 320396698 /nfs/dbraw/zinc/39/66/98/320396698.db2.gz LFGQTAHHSIFOAM-HWYHOQROSA-N 0 3 333.388 1.571 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000290909628 443708937 /nfs/dbraw/zinc/70/89/37/443708937.db2.gz WMAFVDNNUFKIBX-AWEZNQCLSA-N 0 3 348.403 1.696 20 5 EDBDHN COc1ccc(NC(=O)CCN2CCC[C@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000298455118 443773338 /nfs/dbraw/zinc/77/33/38/443773338.db2.gz RHEBSWVMXODOKI-ABAIWWIYSA-N 0 3 337.376 1.777 20 5 EDBDHN CN1CCC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292786114 443843342 /nfs/dbraw/zinc/84/33/42/443843342.db2.gz LCBLLWBKLHZGQB-HNNXBMFYSA-N 0 3 339.417 1.701 20 5 EDBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285126247 443865414 /nfs/dbraw/zinc/86/54/14/443865414.db2.gz KOLXGCVCQWWDEU-UHFFFAOYSA-N 0 3 343.387 1.755 20 5 EDBDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000285418554 443977068 /nfs/dbraw/zinc/97/70/68/443977068.db2.gz GNWSXGHQMSEQCJ-TZMCWYRMSA-N 0 3 341.433 1.792 20 5 EDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285639278 444056812 /nfs/dbraw/zinc/05/68/12/444056812.db2.gz LELAZWXOEAGWRV-IUODEOHRSA-N 0 3 346.387 1.619 20 5 EDBDHN CC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000563138248 321098236 /nfs/dbraw/zinc/09/82/36/321098236.db2.gz LTQKSOOEVMWICA-DRZSPHRISA-N 0 3 334.319 1.329 20 5 EDBDHN Cc1nn(C)c(N2CCC(CN3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000301287925 444161030 /nfs/dbraw/zinc/16/10/30/444161030.db2.gz OYNZDXFUMNTTRM-UHFFFAOYSA-N 0 3 336.440 1.101 20 5 EDBDHN CC[C@H](C)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000296121742 444206218 /nfs/dbraw/zinc/20/62/18/444206218.db2.gz QYFULPKCJHUDLM-GJZGRUSLSA-N 0 3 337.420 1.751 20 5 EDBDHN Cc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301961080 444198420 /nfs/dbraw/zinc/19/84/20/444198420.db2.gz MNHYOWAVTWMWNE-INIZCTEOSA-N 0 3 332.404 1.822 20 5 EDBDHN Cc1cc(NC[C@H]2CN3CCN2CC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000302104640 444204377 /nfs/dbraw/zinc/20/43/77/444204377.db2.gz WVZNJXZORCKTSP-AWEZNQCLSA-N 0 3 327.388 1.863 20 5 EDBDHN Cc1cc(=O)n(C[C@@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000305078561 444256468 /nfs/dbraw/zinc/25/64/68/444256468.db2.gz RFNHODPAAUQFKN-HNNXBMFYSA-N 0 3 331.372 1.558 20 5 EDBDHN O=C([C@@H]1CCCN1C1CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297043180 444270248 /nfs/dbraw/zinc/27/02/48/444270248.db2.gz UVQZLFMGLOGGQE-HNNXBMFYSA-N 0 3 345.403 1.265 20 5 EDBDHN Cc1cc(NCCCCS(N)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000324055401 444350039 /nfs/dbraw/zinc/35/00/39/444350039.db2.gz VJNIRKFNNRVRSN-UHFFFAOYSA-N 0 3 338.389 1.932 20 5 EDBDHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000298043690 444395882 /nfs/dbraw/zinc/39/58/82/444395882.db2.gz HCJLUZGPEBNUBO-VIFPVBQESA-N 0 3 340.767 1.349 20 5 EDBDHN NCc1cn([C@H]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000581428628 322176473 /nfs/dbraw/zinc/17/64/73/322176473.db2.gz TYCWDZPMFWXEIT-AWEZNQCLSA-N 0 3 344.375 1.051 20 5 EDBDHN COc1ccc(CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000341008489 444628053 /nfs/dbraw/zinc/62/80/53/444628053.db2.gz CLNWLZMXXNRROU-YPMHNXCESA-N 0 3 336.392 1.885 20 5 EDBDHN CNC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000342353138 444649729 /nfs/dbraw/zinc/64/97/29/444649729.db2.gz KJOVZLDLUWLLBL-GFCCVEGCSA-N 0 3 349.391 1.235 20 5 EDBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H]2CCC(=O)NC2(C)C)cccc1[N+](=O)[O-] ZINC000338593836 444762252 /nfs/dbraw/zinc/76/22/52/444762252.db2.gz VAHXZDKHZDWNJJ-BXUZGUMPSA-N 0 3 348.403 1.877 20 5 EDBDHN Cc1c(C(=O)NC[C@@H](O)CN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000337022768 444904974 /nfs/dbraw/zinc/90/49/74/444904974.db2.gz SSSVHPSEPVKLFV-CQSZACIVSA-N 0 3 335.404 1.726 20 5 EDBDHN Cc1cnc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000343421761 445219403 /nfs/dbraw/zinc/21/94/03/445219403.db2.gz DMVWOXFUVCLSHA-GJZGRUSLSA-N 0 3 333.436 1.760 20 5 EDBDHN COc1cc(OCC(=O)N[C@@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343468423 445228559 /nfs/dbraw/zinc/22/85/59/445228559.db2.gz DLUMIFJKODQEGT-WCQYABFASA-N 0 3 337.376 1.581 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCN1C ZINC000343450187 445225269 /nfs/dbraw/zinc/22/52/69/445225269.db2.gz QQBOKLQYISNZTN-AAEUAGOBSA-N 0 3 349.387 1.507 20 5 EDBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351730273 445297012 /nfs/dbraw/zinc/29/70/12/445297012.db2.gz KRMCGPRMOOPPSR-GFCCVEGCSA-N 0 3 335.408 1.812 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000360118798 445577502 /nfs/dbraw/zinc/57/75/02/445577502.db2.gz RQSXYLUEANNLKI-KGLIPLIRSA-N 0 3 339.417 1.863 20 5 EDBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])cn1 ZINC000363145998 445695736 /nfs/dbraw/zinc/69/57/36/445695736.db2.gz VGKHCDCRQNYGOA-QLPKVWCKSA-N 0 3 338.367 1.850 20 5 EDBDHN CC[C@@H](NC(=O)NC[C@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358707248 445731939 /nfs/dbraw/zinc/73/19/39/445731939.db2.gz ONQHYQCRJWXNCC-GDBMZVCRSA-N 0 3 336.392 1.412 20 5 EDBDHN O=C(CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCC(F)F ZINC000360922443 445738635 /nfs/dbraw/zinc/73/86/35/445738635.db2.gz QBGBFLVCEGMICY-ZJUUUORDSA-N 0 3 331.323 1.246 20 5 EDBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000353770397 445747252 /nfs/dbraw/zinc/74/72/52/445747252.db2.gz UIFMXCGZXBDMIS-DQOPKJQZSA-N 0 3 335.404 1.233 20 5 EDBDHN CN(CC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000363269981 445748548 /nfs/dbraw/zinc/74/85/48/445748548.db2.gz QBNRBPQFPSHFHV-KBPBESRZSA-N 0 3 348.403 1.010 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C1CC1)N(C)C ZINC000354190990 445984633 /nfs/dbraw/zinc/98/46/33/445984633.db2.gz MTGSPQAGVVKFNS-HNNXBMFYSA-N 0 3 348.403 1.552 20 5 EDBDHN C[C@@H](O)CC(C)(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583929322 326166918 /nfs/dbraw/zinc/16/69/18/326166918.db2.gz CCUOJYLSXYGGNB-GFCCVEGCSA-N 0 3 344.433 1.755 20 5 EDBDHN CCc1ccc([C@H](CO)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000359538351 446280884 /nfs/dbraw/zinc/28/08/84/446280884.db2.gz MTNGNXQPYYYHIN-HOTGVXAUSA-N 0 3 334.376 1.038 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366868083 446389596 /nfs/dbraw/zinc/38/95/96/446389596.db2.gz LRYSTNYFYAAXCQ-UKRRQHHQSA-N 0 3 346.387 1.442 20 5 EDBDHN C[C@@H](NC(=O)N[C@H]1CNCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000417977658 446406038 /nfs/dbraw/zinc/40/60/38/446406038.db2.gz HEALQEBDZKCHCD-SKDRFNHKSA-N 0 3 328.319 1.952 20 5 EDBDHN Cc1cc(NC[C@@H]2CNCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420292354 446455624 /nfs/dbraw/zinc/45/56/24/446455624.db2.gz YSOGWWGPTNEZGN-AWEZNQCLSA-N 0 3 329.360 1.182 20 5 EDBDHN C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000420326469 446493882 /nfs/dbraw/zinc/49/38/82/446493882.db2.gz CHVSWASPAXFEOK-GXTWGEPZSA-N 0 3 341.433 1.428 20 5 EDBDHN CN(C)[C@H]1CCOc2c(Nc3ncc([N+](=O)[O-])c(N)n3)cccc21 ZINC000432944296 446516365 /nfs/dbraw/zinc/51/63/65/446516365.db2.gz MBFZYIKINBJFFK-NSHDSACASA-N 0 3 330.348 2.096 20 5 EDBDHN COc1cc(OCC(=O)N2CC[C@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000375022632 446520334 /nfs/dbraw/zinc/52/03/34/446520334.db2.gz SADNCZCLBLFGOG-DOMZBBRYSA-N 0 3 349.387 1.535 20 5 EDBDHN C[C@@H](C[S@](C)=O)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411511329 446578765 /nfs/dbraw/zinc/57/87/65/446578765.db2.gz IVDLXNAGRXSQMD-SAHAZLINSA-N 0 3 327.406 1.622 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCOCC3(CCC3)C2)c1 ZINC000375188400 446631799 /nfs/dbraw/zinc/63/17/99/446631799.db2.gz SWIDTHYYUCBISO-HNNXBMFYSA-N 0 3 336.388 1.837 20 5 EDBDHN CN1CC[C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375187914 446632075 /nfs/dbraw/zinc/63/20/75/446632075.db2.gz QCFGQMKEDZXFHG-WFASDCNBSA-N 0 3 339.417 1.451 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CNCCC1(F)F ZINC000418769437 446688993 /nfs/dbraw/zinc/68/89/93/446688993.db2.gz ROUUSZIJOCTXON-ZDUSSCGKSA-N 0 3 342.346 1.776 20 5 EDBDHN C[C@@H]1CN(CCCNc2c(C(N)=O)cccc2[N+](=O)[O-])CCCO1 ZINC000420608888 446700337 /nfs/dbraw/zinc/70/03/37/446700337.db2.gz FOZXBXQFOSVHCI-GFCCVEGCSA-N 0 3 336.392 1.607 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000368232157 446725805 /nfs/dbraw/zinc/72/58/05/446725805.db2.gz PYHRGSMWZBBXSL-KFWWJZLASA-N 0 3 336.392 1.186 20 5 EDBDHN O=C([C@H]1CN2CCN1CCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000371368088 446810683 /nfs/dbraw/zinc/81/06/83/446810683.db2.gz FCHZERZDVPOIEW-QGZVFWFLSA-N 0 3 344.415 1.476 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@]2(CO)Cc2ccccc2)n1 ZINC000375467353 446822942 /nfs/dbraw/zinc/82/29/42/446822942.db2.gz IGUFROIVYSYROB-KRWDZBQOSA-N 0 3 330.388 1.861 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](O)CC23CCC3)c1 ZINC000420993679 446971240 /nfs/dbraw/zinc/97/12/40/446971240.db2.gz MCICOTZEJXXLKY-GJZGRUSLSA-N 0 3 336.388 1.714 20 5 EDBDHN COCC[C@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979039 446951299 /nfs/dbraw/zinc/95/12/99/446951299.db2.gz YFOXGJPIBZAVSS-LBPRGKRZSA-N 0 3 345.421 1.230 20 5 EDBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCCC2)C1 ZINC000372182424 447023262 /nfs/dbraw/zinc/02/32/62/447023262.db2.gz YQZZIMCWAAOCAH-CQSZACIVSA-N 0 3 348.403 1.233 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCOCC2(CCC2)C1 ZINC000368708549 447056331 /nfs/dbraw/zinc/05/63/31/447056331.db2.gz VSJHGYMWQUSVBL-AWEZNQCLSA-N 0 3 336.388 1.837 20 5 EDBDHN CCCN1CCC[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444643066 447113476 /nfs/dbraw/zinc/11/34/76/447113476.db2.gz JJKIKWDPGLSTKQ-CQSZACIVSA-N 0 3 331.376 1.962 20 5 EDBDHN COC(=O)c1cn([C@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000368856982 447161739 /nfs/dbraw/zinc/16/17/39/447161739.db2.gz RQXOXCLYMOBTEL-AWEZNQCLSA-N 0 3 345.359 1.462 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H](c4nc[nH]n4)C3)n2)c1 ZINC000425528150 447215186 /nfs/dbraw/zinc/21/51/86/447215186.db2.gz CFZHIIFHSDRKRJ-LLVKDONJSA-N 0 3 341.331 1.752 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000421713902 447230917 /nfs/dbraw/zinc/23/09/17/447230917.db2.gz UGBGUQVEMGTSBA-CYBMUJFWSA-N 0 3 349.387 1.461 20 5 EDBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCCN1C ZINC000450547801 447521947 /nfs/dbraw/zinc/52/19/47/447521947.db2.gz PECSUBWVKWDJGE-TZMCWYRMSA-N 0 3 343.387 1.993 20 5 EDBDHN CC(COC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[N+](=O)[O-] ZINC000495946662 447665550 /nfs/dbraw/zinc/66/55/50/447665550.db2.gz CZZUNUQZGWOAPI-MNOVXSKESA-N 0 3 332.353 1.221 20 5 EDBDHN O=C(NC1CC1)c1ccc(N2C[C@H]3CCC[C@@H](C2)N3)c([N+](=O)[O-])c1 ZINC000420237835 447682946 /nfs/dbraw/zinc/68/29/46/447682946.db2.gz MFLGARWMQCHDAW-OKILXGFUSA-N 0 3 330.388 1.818 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000429808313 447757707 /nfs/dbraw/zinc/75/77/07/447757707.db2.gz LXZAQKSRPCWJLV-UHFFFAOYSA-N 0 3 345.403 2.269 20 5 EDBDHN CC(COC(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000496820922 447941333 /nfs/dbraw/zinc/94/13/33/447941333.db2.gz YPIMJFZJFKCCQC-JRPNMDOOSA-N 0 3 328.365 1.842 20 5 EDBDHN CN(Cc1ccc2c(c1)OCCO2)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525275484 447986344 /nfs/dbraw/zinc/98/63/44/447986344.db2.gz QFDZXOCMPIJFGX-CQSZACIVSA-N 0 3 348.359 1.055 20 5 EDBDHN CC[C@H](CNS(C)(=O)=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576172090 447991221 /nfs/dbraw/zinc/99/12/21/447991221.db2.gz CZWOPZVHRLPSGC-ZWNOBZJWSA-N 0 3 327.406 1.500 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc3c(c2)OCCCO3)c1 ZINC000570837028 448072916 /nfs/dbraw/zinc/07/29/16/448072916.db2.gz NNZQVHRCCSQKSF-AWEZNQCLSA-N 0 3 348.359 1.103 20 5 EDBDHN CCC[C@@H](C)[C@H](CO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000514792033 448204773 /nfs/dbraw/zinc/20/47/73/448204773.db2.gz GDNBDIPRYYAOAJ-DOMZBBRYSA-N 0 3 335.404 1.871 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCCN1CCC[C@H]1C(N)=O ZINC000532514544 448267889 /nfs/dbraw/zinc/26/78/89/448267889.db2.gz UNFSEQIOMCUJJG-CJNGLKHVSA-N 0 3 334.420 1.894 20 5 EDBDHN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000591377839 448350181 /nfs/dbraw/zinc/35/01/81/448350181.db2.gz IKVZZWKRVUUXOV-LSDHHAIUSA-N 0 3 337.420 1.751 20 5 EDBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccco1 ZINC000564470961 448331350 /nfs/dbraw/zinc/33/13/50/448331350.db2.gz OAYWCDJUFDXURE-JQWIXIFHSA-N 0 3 347.375 2.024 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000591734444 448476562 /nfs/dbraw/zinc/47/65/62/448476562.db2.gz YMXQMAQOZCSYJE-IXDOHACOSA-N 0 3 346.387 1.662 20 5 EDBDHN COCC(C)(C)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000591829774 448500333 /nfs/dbraw/zinc/50/03/33/448500333.db2.gz LHMINCJAHQNTNN-UHFFFAOYSA-N 0 3 338.408 1.216 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000536883452 448544672 /nfs/dbraw/zinc/54/46/72/448544672.db2.gz WPHCUORNLPXVJJ-CHWSQXEVSA-N 0 3 341.433 1.978 20 5 EDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000591984891 448610721 /nfs/dbraw/zinc/61/07/21/448610721.db2.gz JRBDRMSOSDOQAV-LLVKDONJSA-N 0 3 344.375 1.094 20 5 EDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC1(OCCO)CCOCC1 ZINC000584849754 448657407 /nfs/dbraw/zinc/65/74/07/448657407.db2.gz KNGZUBJKJYLAEX-HNNXBMFYSA-N 0 3 336.388 1.730 20 5 EDBDHN C[C@H](C(=O)NC[C@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000518315178 448663899 /nfs/dbraw/zinc/66/38/99/448663899.db2.gz ZBISMLXHBWGVJP-XJKSGUPXSA-N 0 3 335.404 1.661 20 5 EDBDHN CC[C@@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000579000617 448691294 /nfs/dbraw/zinc/69/12/94/448691294.db2.gz KECIAGRCHZOWRO-SECBINFHSA-N 0 3 334.298 1.879 20 5 EDBDHN CC(C)Oc1nc(NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000579025162 448698601 /nfs/dbraw/zinc/69/86/01/448698601.db2.gz XYRBTMVEPJGIFA-UHFFFAOYSA-N 0 3 338.408 2.036 20 5 EDBDHN C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCN1C ZINC000587985129 448850550 /nfs/dbraw/zinc/85/05/50/448850550.db2.gz WNLCQOIVXWROEG-WDEREUQCSA-N 0 3 333.392 1.680 20 5 EDBDHN Cc1ccc([C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])N(C)C)cc1 ZINC000548085823 448981575 /nfs/dbraw/zinc/98/15/75/448981575.db2.gz OOZAPIXXVZFNIJ-AWEZNQCLSA-N 0 3 343.387 1.913 20 5 EDBDHN CNc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000548112519 448985171 /nfs/dbraw/zinc/98/51/71/448985171.db2.gz XIQRKTZBJXGDFJ-CYBMUJFWSA-N 0 3 349.435 1.392 20 5 EDBDHN CCC(O)(CC)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569352518 449010244 /nfs/dbraw/zinc/01/02/44/449010244.db2.gz SQDHGSKDBFOPEP-UHFFFAOYSA-N 0 3 344.433 1.899 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CCCC[C@H]2C(N)=O)c1 ZINC000593024987 449105765 /nfs/dbraw/zinc/10/57/65/449105765.db2.gz QJGYJCROUZGUMW-CHWSQXEVSA-N 0 3 335.360 1.515 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595780823 449161786 /nfs/dbraw/zinc/16/17/86/449161786.db2.gz ITWFWICYPXIMDI-COLVAYQJSA-N 0 3 349.387 1.824 20 5 EDBDHN Nc1n[nH]c(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000590602208 449215334 /nfs/dbraw/zinc/21/53/34/449215334.db2.gz UHIYZJZPODYXRM-UHFFFAOYSA-N 0 3 332.364 1.554 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C2CCCCC2)n1 ZINC000600230017 449255750 /nfs/dbraw/zinc/25/57/50/449255750.db2.gz OCRFPEFOEDCYNH-ZDUSSCGKSA-N 0 3 335.408 1.948 20 5 EDBDHN C[C@]1(NC(=O)c2[nH]ncc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000593878753 449257630 /nfs/dbraw/zinc/25/76/30/449257630.db2.gz KUOCSWCOKUZOCU-INIZCTEOSA-N 0 3 329.360 1.712 20 5 EDBDHN C[C@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000593878753 449257636 /nfs/dbraw/zinc/25/76/36/449257636.db2.gz KUOCSWCOKUZOCU-INIZCTEOSA-N 0 3 329.360 1.712 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000602071716 449321681 /nfs/dbraw/zinc/32/16/81/449321681.db2.gz FAUVZKVWEQRVDI-DZGCQCFKSA-N 0 3 335.360 1.083 20 5 EDBDHN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596099687 449360503 /nfs/dbraw/zinc/36/05/03/449360503.db2.gz VYLPYFHVXGSYBJ-KBPBESRZSA-N 0 3 349.435 1.690 20 5 EDBDHN CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000600623780 449464702 /nfs/dbraw/zinc/46/47/02/449464702.db2.gz RGJDJSSBFJQSJX-HZSPNIEDSA-N 0 3 336.392 1.305 20 5 EDBDHN CC(C)N1CC[C@@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000602555436 449671297 /nfs/dbraw/zinc/67/12/97/449671297.db2.gz QWEZBTYUVQWCQJ-OAHLLOKOSA-N 0 3 347.419 1.558 20 5 EDBDHN CN(C)CCOC1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601164376 449728111 /nfs/dbraw/zinc/72/81/11/449728111.db2.gz SZQIZHPSQAHLGO-UHFFFAOYSA-N 0 3 339.367 1.917 20 5 EDBDHN C[C@]12CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602731261 449772366 /nfs/dbraw/zinc/77/23/66/449772366.db2.gz LZMZNDJWYIHPRM-VWEWPCDYSA-N 0 3 329.356 1.593 20 5 EDBDHN CN(C)CCOCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095716 449810288 /nfs/dbraw/zinc/81/02/88/449810288.db2.gz FSROSKYRRANOAO-UHFFFAOYSA-N 0 3 345.787 1.530 20 5 EDBDHN CCC[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CCN1CCOC ZINC000602796608 449816410 /nfs/dbraw/zinc/81/64/10/449816410.db2.gz DHJCVQWWZWGCCD-HNNXBMFYSA-N 0 3 339.440 1.532 20 5 EDBDHN CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCN(CC)C1 ZINC000595132243 449890869 /nfs/dbraw/zinc/89/08/69/449890869.db2.gz VTKIEOSNPIOLDV-CQSZACIVSA-N 0 3 348.403 1.784 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000601422810 449941644 /nfs/dbraw/zinc/94/16/44/449941644.db2.gz ZVWGDJCMAYCLTF-OLZOCXBDSA-N 0 3 341.433 1.925 20 5 EDBDHN Cc1[nH]ncc1CN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602944663 449946148 /nfs/dbraw/zinc/94/61/48/449946148.db2.gz WTFNLUDFBVHHIK-UHFFFAOYSA-N 0 3 329.360 1.647 20 5 EDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602905142 449910263 /nfs/dbraw/zinc/91/02/63/449910263.db2.gz BQZXCMXNCQQWKP-AWEZNQCLSA-N 0 3 337.424 1.404 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(C)(C)NS(C)(=O)=O ZINC000615724124 450212848 /nfs/dbraw/zinc/21/28/48/450212848.db2.gz MKTFMXRRAJIZOI-XYOKQWHBSA-N 0 3 341.433 1.916 20 5 EDBDHN CCOc1ccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610335640 450194967 /nfs/dbraw/zinc/19/49/67/450194967.db2.gz HYRVHMGAZZQYFZ-DOMZBBRYSA-N 0 3 334.376 1.902 20 5 EDBDHN C[C@](CO)(NC(=O)[C@H](C1CC1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601779386 450234746 /nfs/dbraw/zinc/23/47/46/450234746.db2.gz QYDOCNYGYDVVMK-FUHWJXTLSA-N 0 3 347.415 1.793 20 5 EDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCN2CCC1CC2 ZINC000615880148 450265179 /nfs/dbraw/zinc/26/51/79/450265179.db2.gz JZZQNGSGPIFRNY-UHFFFAOYSA-N 0 3 328.372 1.856 20 5 EDBDHN CC(C)[C@@](C)(CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352895705 535311280 /nfs/dbraw/zinc/31/12/80/535311280.db2.gz WCUHWTWGHNLQHY-CQSZACIVSA-N 0 3 330.406 1.365 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000069126518 535561147 /nfs/dbraw/zinc/56/11/47/535561147.db2.gz MGYGPLNDDBKEQI-GFCCVEGCSA-N 0 3 337.376 1.583 20 5 EDBDHN CN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000248082725 536454791 /nfs/dbraw/zinc/45/47/91/536454791.db2.gz SDIULMZODGFRPN-GDBMZVCRSA-N 0 3 329.360 1.353 20 5 EDBDHN COC(=O)COc1ccc(CN[C@]2(C)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000353208104 536477314 /nfs/dbraw/zinc/47/73/14/536477314.db2.gz JSLUTDXLKFXFOL-MEDUHNTESA-N 0 3 338.360 1.804 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000727703378 578537858 /nfs/dbraw/zinc/53/78/58/578537858.db2.gz OXADHSQWWAJYDL-AWEZNQCLSA-N 0 3 338.433 1.992 20 5 EDBDHN C[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000729497270 578577896 /nfs/dbraw/zinc/57/78/96/578577896.db2.gz PYZKETXZIXDDIL-MAZHCROVSA-N 0 3 348.403 1.818 20 5 EDBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCCN2CCCS2(=O)=O)c1 ZINC000729684493 578587298 /nfs/dbraw/zinc/58/72/98/578587298.db2.gz WGGHNCFNPLZCEA-UHFFFAOYSA-N 0 3 347.824 1.763 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCN(C)C1CC1 ZINC000732567201 578718555 /nfs/dbraw/zinc/71/85/55/578718555.db2.gz FAAWHNCRTMJNKU-UHFFFAOYSA-N 0 3 338.320 1.796 20 5 EDBDHN CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC000736349733 578981340 /nfs/dbraw/zinc/98/13/40/578981340.db2.gz JVABXVCYUNFEGC-JTQLQIEISA-N 0 3 332.368 1.456 20 5 EDBDHN CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC000736349733 578981341 /nfs/dbraw/zinc/98/13/41/578981341.db2.gz JVABXVCYUNFEGC-JTQLQIEISA-N 0 3 332.368 1.456 20 5 EDBDHN C/C(=C/C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000751746316 579820160 /nfs/dbraw/zinc/82/01/60/579820160.db2.gz RSTYCIAUIKYZDS-ZOHQOTHLSA-N 0 3 345.399 1.978 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000753707480 579885415 /nfs/dbraw/zinc/88/54/15/579885415.db2.gz PXPRIYASPXLPFU-YPMHNXCESA-N 0 3 343.387 1.686 20 5 EDBDHN CCN(CC)C(=O)CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000765335660 580140135 /nfs/dbraw/zinc/14/01/35/580140135.db2.gz WSZGNGAPMCSSEY-LBPRGKRZSA-N 0 3 336.392 1.770 20 5 EDBDHN CN(C)CCN(CCc1ccccc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000766807856 580174388 /nfs/dbraw/zinc/17/43/88/580174388.db2.gz RSUBPSBDHHSMQH-UHFFFAOYSA-N 0 3 345.403 1.575 20 5 EDBDHN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cs1 ZINC000768807145 580220832 /nfs/dbraw/zinc/22/08/32/580220832.db2.gz JCUCSHAOCGCHCP-WDEREUQCSA-N 0 3 331.419 1.561 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000770174050 580255079 /nfs/dbraw/zinc/25/50/79/580255079.db2.gz QYAJMCSKQRHKMM-LBPRGKRZSA-N 0 3 338.383 1.490 20 5 EDBDHN C[C@@H](N[C@@H](CO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771815461 580295322 /nfs/dbraw/zinc/29/53/22/580295322.db2.gz VBBMSAMJLJYMJQ-OQPBUACISA-N 0 3 327.768 1.936 20 5 EDBDHN COC(=O)[C@H]1[C@@H]2CN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C[C@@H]21 ZINC000794992544 580910391 /nfs/dbraw/zinc/91/03/91/580910391.db2.gz WQXWSUZNBIVKAS-ATCWAGBWSA-N 0 3 347.371 1.583 20 5 EDBDHN CCN1CCN(CCCNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000895715053 591259058 /nfs/dbraw/zinc/25/90/58/591259058.db2.gz MIDRJFCWPLMLET-UHFFFAOYSA-N 0 3 348.447 1.969 20 5 EDBDHN COC(=O)c1cc(C)nc(N2C[C@]3(C)CN(C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000894802886 591422221 /nfs/dbraw/zinc/42/22/21/591422221.db2.gz SDOWASCRHPPYLR-IRXDYDNUSA-N 0 3 348.403 1.863 20 5 EDBDHN COc1c(O)ccc(CN[C@@H]2CCN(CC(F)F)C2)c1[N+](=O)[O-] ZINC000894967498 591501776 /nfs/dbraw/zinc/50/17/76/591501776.db2.gz TTYBGDASJJGPHV-SNVBAGLBSA-N 0 3 331.319 1.738 20 5 EDBDHN COc1c(O)ccc(CNC[C@@]2(OC)CCSC2)c1[N+](=O)[O-] ZINC000896576035 591540120 /nfs/dbraw/zinc/54/01/20/591540120.db2.gz XCHSXSLPZZUQSO-AWEZNQCLSA-N 0 3 328.390 1.921 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@]1(OCCO)CCOC1 ZINC000895338599 591719635 /nfs/dbraw/zinc/71/96/35/591719635.db2.gz SPCHDOQOZUMBBD-CQSZACIVSA-N 0 3 330.768 1.506 20 5 EDBDHN CN(CCO)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000899734839 591925222 /nfs/dbraw/zinc/92/52/22/591925222.db2.gz UOPCSIUANLVNJP-UHFFFAOYSA-N 0 3 346.181 1.011 20 5 EDBDHN O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H]4[C@H]3CCCN4CCO)c2c1 ZINC000902643839 592034745 /nfs/dbraw/zinc/03/47/45/592034745.db2.gz MOSOKGLZRZJHJR-HZPDHXFCSA-N 0 3 345.403 1.433 20 5 EDBDHN COc1cc([C@H](C)NC[C@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])c1 ZINC000903061573 592111524 /nfs/dbraw/zinc/11/15/24/592111524.db2.gz HFUISTICNZITPT-WDEREUQCSA-N 0 3 328.390 1.689 20 5 EDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccnn1CCN(C)C)CC2 ZINC000901318974 592339144 /nfs/dbraw/zinc/33/91/44/592339144.db2.gz ZFAIDMALIFTNOK-UHFFFAOYSA-N 0 3 343.387 1.864 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)OCCN(C)Cc1ccccc1 ZINC000910205691 592788616 /nfs/dbraw/zinc/78/86/16/592788616.db2.gz MZFTWLJSXSBDNF-UHFFFAOYSA-N 0 3 332.360 1.775 20 5 EDBDHN CCO[C@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])CN(C)C ZINC000906373529 592801288 /nfs/dbraw/zinc/80/12/88/592801288.db2.gz WPLPGNQTMMUYCP-SECBINFHSA-N 0 3 331.319 1.570 20 5 EDBDHN CCN1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910283909 592820879 /nfs/dbraw/zinc/82/08/79/592820879.db2.gz KALXZZLGXAERCM-CYBMUJFWSA-N 0 3 349.387 1.729 20 5 EDBDHN CN(CCO)CCN(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000912598869 593107361 /nfs/dbraw/zinc/10/73/61/593107361.db2.gz IRGIASDWVVUBLG-UHFFFAOYSA-N 0 3 349.309 1.610 20 5 EDBDHN O=C([C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000805809933 593146555 /nfs/dbraw/zinc/14/65/55/593146555.db2.gz ABLNXWLPLKFMOU-GOEBONIOSA-N 0 3 333.388 1.573 20 5 EDBDHN CC(COC(=O)[C@H](c1ccccc1F)N1CCOCC1)[N+](=O)[O-] ZINC000813107582 593518291 /nfs/dbraw/zinc/51/82/91/593518291.db2.gz UEAMRCBSLIIPME-RISCZKNCSA-N 0 3 326.324 1.407 20 5 EDBDHN CC(COC(=O)c1cc(N2CCNC2=O)ccc1Cl)[N+](=O)[O-] ZINC000813108525 593518317 /nfs/dbraw/zinc/51/83/17/593518317.db2.gz GXSMUSCDCTTYAD-QMMMGPOBSA-N 0 3 327.724 1.692 20 5 EDBDHN Cc1sc2ncn(CC(=O)OCC(C)[N+](=O)[O-])c(=O)c2c1C ZINC000813111239 593518366 /nfs/dbraw/zinc/51/83/66/593518366.db2.gz DOJQHNYMPUAFEX-SSDOTTSWSA-N 0 3 325.346 1.283 20 5 EDBDHN CC(COC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[N+](=O)[O-] ZINC000813113206 593518880 /nfs/dbraw/zinc/51/88/80/593518880.db2.gz OIQVLHLWHKBXPS-JOYOIKCWSA-N 0 3 326.736 1.901 20 5 EDBDHN CN1C[C@@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816953589 593563237 /nfs/dbraw/zinc/56/32/37/593563237.db2.gz JYCOWTZEHXAEKE-QPUJVOFHSA-N 0 3 333.373 1.376 20 5 EDBDHN CC(C)Oc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000818964883 593730634 /nfs/dbraw/zinc/73/06/34/593730634.db2.gz KAXBWSFNHHSMEV-OAHLLOKOSA-N 0 3 334.376 1.729 20 5 EDBDHN CC1(C)OC[C@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000819155669 593741911 /nfs/dbraw/zinc/74/19/11/593741911.db2.gz OYPGVQGELYBDTK-JSGCOSHPSA-N 0 3 326.349 1.076 20 5 EDBDHN CC(=O)Nc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819271397 593747822 /nfs/dbraw/zinc/74/78/22/593747822.db2.gz ACZAVQNNLMRGKD-OAHLLOKOSA-N 0 3 330.344 1.771 20 5 EDBDHN C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820752039 593881040 /nfs/dbraw/zinc/88/10/40/593881040.db2.gz JSUXYZJEUBBZES-ZYHUDNBSSA-N 0 3 331.380 1.551 20 5 EDBDHN C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820752039 593881042 /nfs/dbraw/zinc/88/10/42/593881042.db2.gz JSUXYZJEUBBZES-ZYHUDNBSSA-N 0 3 331.380 1.551 20 5 EDBDHN Nc1ccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000823997678 593904309 /nfs/dbraw/zinc/90/43/09/593904309.db2.gz GNLOEUSSIUXWMN-RYUDHWBXSA-N 0 3 335.364 1.162 20 5 EDBDHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821001363 593942437 /nfs/dbraw/zinc/94/24/37/593942437.db2.gz QRTABQOFQRDVAE-STQMWFEESA-N 0 3 343.391 1.838 20 5 EDBDHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821001363 593942439 /nfs/dbraw/zinc/94/24/39/593942439.db2.gz QRTABQOFQRDVAE-STQMWFEESA-N 0 3 343.391 1.838 20 5 EDBDHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821001363 593942440 /nfs/dbraw/zinc/94/24/40/593942440.db2.gz QRTABQOFQRDVAE-STQMWFEESA-N 0 3 343.391 1.838 20 5 EDBDHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821001363 593942442 /nfs/dbraw/zinc/94/24/42/593942442.db2.gz QRTABQOFQRDVAE-STQMWFEESA-N 0 3 343.391 1.838 20 5 EDBDHN O=C(NC[C@@H]1CCCCN1CCO)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821051666 593954175 /nfs/dbraw/zinc/95/41/75/593954175.db2.gz FQLMKGKAUGFQFL-BBWFWOEESA-N 0 3 347.415 1.661 20 5 EDBDHN O=[N+]([O-])c1cc(-c2nc(N3CCNCC3)no2)ccc1-n1ccnc1 ZINC000823309885 594183568 /nfs/dbraw/zinc/18/35/68/594183568.db2.gz NZSOQONUVHEWJW-UHFFFAOYSA-N 0 3 341.331 1.240 20 5 EDBDHN CC(C)(C)N1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825505762 594193936 /nfs/dbraw/zinc/19/39/36/594193936.db2.gz ULJOMTMJNKRBBB-HNNXBMFYSA-N 0 3 335.404 1.961 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823635096 594223567 /nfs/dbraw/zinc/22/35/67/594223567.db2.gz RIPHPEMKSSCFFN-OAHLLOKOSA-N 0 3 340.343 1.598 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000825727558 594232335 /nfs/dbraw/zinc/23/23/35/594232335.db2.gz RVHOGESOGSXSTN-UHFFFAOYSA-N 0 3 338.383 1.968 20 5 EDBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1CC1 ZINC000828774085 594500446 /nfs/dbraw/zinc/50/04/46/594500446.db2.gz DBIMUQPAFAXIRT-UHFFFAOYSA-N 0 3 338.383 1.966 20 5 EDBDHN CCO[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)CN(C)C ZINC000831775974 594702073 /nfs/dbraw/zinc/70/20/73/594702073.db2.gz BZJXCVAEIVIPLJ-PMPSAXMXSA-N 0 3 335.404 1.781 20 5 EDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832400671 594747811 /nfs/dbraw/zinc/74/78/11/594747811.db2.gz MPMYTRKKUMGDQN-UHOFOFEASA-N 0 3 333.388 1.713 20 5 EDBDHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000840956811 594832939 /nfs/dbraw/zinc/83/29/39/594832939.db2.gz FEMKAYBHEWVHSM-GFCCVEGCSA-N 0 3 341.795 1.785 20 5 EDBDHN C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000836283774 594947172 /nfs/dbraw/zinc/94/71/72/594947172.db2.gz NRIFCMFJWIPZDT-RCBQFDQVSA-N 0 3 348.403 1.818 20 5 EDBDHN CCC(=O)N[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874332 595085843 /nfs/dbraw/zinc/08/58/43/595085843.db2.gz HPFFIEYXWGQAMM-RULNRJAQSA-N 0 3 326.324 1.990 20 5 EDBDHN CNC(=O)NCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879290 595086221 /nfs/dbraw/zinc/08/62/21/595086221.db2.gz IMLRMGIDOYLTLO-TVQRCGJNSA-N 0 3 327.312 1.394 20 5 EDBDHN CN(C)CCN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1=O ZINC000844375564 595333463 /nfs/dbraw/zinc/33/34/63/595333463.db2.gz ISJRRSIBYNLODZ-UHFFFAOYSA-N 0 3 340.811 1.454 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306673 595357372 /nfs/dbraw/zinc/35/73/72/595357372.db2.gz XGXRDSSHXNCRPD-KIIBNJGVSA-N 0 3 331.372 1.276 20 5 EDBDHN CN(C)[C@H]1CCCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848478088 595389395 /nfs/dbraw/zinc/38/93/95/595389395.db2.gz BNQSONNTYHOSHG-DLBZAZTESA-N 0 3 346.431 1.894 20 5 EDBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000860828700 595810075 /nfs/dbraw/zinc/81/00/75/595810075.db2.gz KSYQRJRIRONAHF-QGZVFWFLSA-N 0 3 329.356 1.544 20 5 EDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854643833 596147163 /nfs/dbraw/zinc/14/71/63/596147163.db2.gz YPIZXOGTWWYNLN-GJZGRUSLSA-N 0 3 337.351 1.669 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCCN1CCCC1 ZINC000866693345 596296804 /nfs/dbraw/zinc/29/68/04/596296804.db2.gz AUBJDLYJTDDERN-UHFFFAOYSA-N 0 3 344.389 1.798 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(N2CCN(C[C@H]3CCOC3)CC2)cc1F ZINC000865592234 596620260 /nfs/dbraw/zinc/62/02/60/596620260.db2.gz QUYUZBPZAGMBQC-GFCCVEGCSA-N 0 3 339.367 1.385 20 5 EDBDHN CC(C)(CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000863582111 596626075 /nfs/dbraw/zinc/62/60/75/596626075.db2.gz DBAXRPJLCOPHNR-HNNXBMFYSA-N 0 3 335.404 1.866 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000872781315 597065379 /nfs/dbraw/zinc/06/53/79/597065379.db2.gz RUWGFECQIXPXEY-CHWSQXEVSA-N 0 3 334.376 1.758 20 5 EDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000877451244 597517405 /nfs/dbraw/zinc/51/74/05/597517405.db2.gz KUDAIUSQMDXKCA-ZMSDIMECSA-N 0 3 332.404 1.464 20 5 EDBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H](CO)[C@H](CO)C2)o1 ZINC000877764564 597553446 /nfs/dbraw/zinc/55/34/46/597553446.db2.gz IUKSCGSAOMSQGP-BETUJISGSA-N 0 3 332.356 1.887 20 5 EDBDHN COc1ccc(CNC(=S)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000920311077 697419212 /nfs/dbraw/zinc/41/92/12/697419212.db2.gz KYDZMIHWQMAYRL-UHFFFAOYSA-N 0 3 338.433 1.662 20 5 EDBDHN C/C=C(\C)C(=O)N1CCC(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997664280 703992409 /nfs/dbraw/zinc/99/24/09/703992409.db2.gz RRWSCPSVCUNWSM-UUILKARUSA-N 0 3 335.408 1.623 20 5 EDBDHN C[C@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCCN1 ZINC000180903091 234024254 /nfs/dbraw/zinc/02/42/54/234024254.db2.gz BZQXXSDHRXNQFX-QGZVFWFLSA-N 0 3 332.404 1.776 20 5 EDBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])o1 ZINC000183406470 235054237 /nfs/dbraw/zinc/05/42/37/235054237.db2.gz UTIVKMABBQMYNI-AWEZNQCLSA-N 0 3 345.355 1.684 20 5 EDBDHN NC(=O)CC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000077168580 138251857 /nfs/dbraw/zinc/25/18/57/138251857.db2.gz FAKGUTPZCNZHBD-UHFFFAOYSA-N 0 3 334.376 1.511 20 5 EDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123744831 138320872 /nfs/dbraw/zinc/32/08/72/138320872.db2.gz BMGJXUTVMFJBFP-VIFPVBQESA-N 0 3 335.451 1.973 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000187709007 236282081 /nfs/dbraw/zinc/28/20/81/236282081.db2.gz SMELNPKEYXUXIO-UHFFFAOYSA-N 0 3 334.376 1.394 20 5 EDBDHN Cc1c(NC(=O)CCN(C)[C@@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000565577758 306386641 /nfs/dbraw/zinc/38/66/41/306386641.db2.gz DSDTVFCADDKRTA-CYBMUJFWSA-N 0 3 348.403 1.784 20 5 EDBDHN CC(C)NC(=O)[C@H](C)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414348061 304109542 /nfs/dbraw/zinc/10/95/42/304109542.db2.gz RSIKYKJZSRNIPM-RYUDHWBXSA-N 0 3 336.392 1.815 20 5 EDBDHN C[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000074137674 203281694 /nfs/dbraw/zinc/28/16/94/203281694.db2.gz NXNUJJUBUIFMRM-MVGZEHJDSA-N 0 3 346.431 1.608 20 5 EDBDHN CCN(CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000101957367 204027731 /nfs/dbraw/zinc/02/77/31/204027731.db2.gz VBMRLZLQNDETQQ-UHFFFAOYSA-N 0 3 325.340 1.713 20 5 EDBDHN CC(C)[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N(C)C ZINC000106409229 204192408 /nfs/dbraw/zinc/19/24/08/204192408.db2.gz VNZXVLGYIUMFNW-MRXNPFEDSA-N 0 3 334.420 1.830 20 5 EDBDHN Cc1c(C(=O)NC[C@H]2CCN(C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000110650292 204318556 /nfs/dbraw/zinc/31/85/56/204318556.db2.gz RGGFUXGNWDWOMD-LLVKDONJSA-N 0 3 336.348 1.801 20 5 EDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237521071 139053274 /nfs/dbraw/zinc/05/32/74/139053274.db2.gz JJQLSGOOHHELGK-VHSXEESVSA-N 0 3 330.344 1.259 20 5 EDBDHN Cc1c(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cccc1[N+](=O)[O-] ZINC000567501455 306453651 /nfs/dbraw/zinc/45/36/51/306453651.db2.gz UQSCEQQLJWAPLL-CYBMUJFWSA-N 0 3 344.375 1.431 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)c1C ZINC000237779463 139060037 /nfs/dbraw/zinc/06/00/37/139060037.db2.gz GODSCCYPTJJUIF-CYBMUJFWSA-N 0 3 341.433 1.880 20 5 EDBDHN CCN1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000158181102 206178066 /nfs/dbraw/zinc/17/80/66/206178066.db2.gz XDFIVFGYCJHJOO-UHFFFAOYSA-N 0 3 332.404 1.512 20 5 EDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161588273 206357880 /nfs/dbraw/zinc/35/78/80/206357880.db2.gz POYFKKFTIMDRDD-OLZOCXBDSA-N 0 3 336.396 1.060 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000175548345 207137410 /nfs/dbraw/zinc/13/74/10/207137410.db2.gz LJCBZPWBJOERSE-STQMWFEESA-N 0 3 347.419 1.931 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177222573 207308330 /nfs/dbraw/zinc/30/83/30/207308330.db2.gz GINGQDFCIWZAPI-CHWSQXEVSA-N 0 3 332.404 1.772 20 5 EDBDHN Cc1cc(N2CCN([C@H]3CCNC(=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000450891954 254698202 /nfs/dbraw/zinc/69/82/02/254698202.db2.gz LTTQYCIWOCUJJA-CQSZACIVSA-N 0 3 332.404 1.694 20 5 EDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[N+](=O)[O-] ZINC000496332219 255382321 /nfs/dbraw/zinc/38/23/21/255382321.db2.gz SJQKBSOHQNRHBV-HTQZYQBOSA-N 0 3 328.243 1.358 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)CC2)cc1OC ZINC000416287879 304302794 /nfs/dbraw/zinc/30/27/94/304302794.db2.gz FUVMBQQDUWYTNP-UHFFFAOYSA-N 0 3 337.376 1.826 20 5 EDBDHN COCCN1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270329332 140080306 /nfs/dbraw/zinc/08/03/06/140080306.db2.gz HOMOADCSJGJQNJ-AWEZNQCLSA-N 0 3 336.392 1.157 20 5 EDBDHN COCCCOCCN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000271559760 140311504 /nfs/dbraw/zinc/31/15/04/140311504.db2.gz NBCGNRBCZQSCFA-UHFFFAOYSA-N 0 3 342.392 1.967 20 5 EDBDHN COCCCOCCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271603915 140318645 /nfs/dbraw/zinc/31/86/45/140318645.db2.gz UEBOIDRGQSQGCJ-OAHLLOKOSA-N 0 3 342.392 1.319 20 5 EDBDHN CCN1C[C@@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332340661 141165398 /nfs/dbraw/zinc/16/53/98/141165398.db2.gz SCHZQIVLWCLWKA-ZIAGYGMSSA-N 0 3 346.431 1.898 20 5 EDBDHN COc1cc(CNC[C@H](CO)c2cccnc2)c([N+](=O)[O-])cc1OC ZINC000342270084 142704425 /nfs/dbraw/zinc/70/44/25/142704425.db2.gz AFNIGPCAFMMIAJ-CQSZACIVSA-N 0 3 347.371 1.873 20 5 EDBDHN C[C@@H](NC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000342279045 142705513 /nfs/dbraw/zinc/70/55/13/142705513.db2.gz IXYGMBZPJIKUTB-LXTVHRRPSA-N 0 3 337.420 1.716 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CCCN1C ZINC000344232331 142943582 /nfs/dbraw/zinc/94/35/82/142943582.db2.gz GRSIBPMINANTGQ-STQMWFEESA-N 0 3 335.408 1.789 20 5 EDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000345714875 143124759 /nfs/dbraw/zinc/12/47/59/143124759.db2.gz ZRYGVDJCLGRABC-ZFWWWQNUSA-N 0 3 340.401 1.421 20 5 EDBDHN CC(C)(C)OC[C@@H](O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974942 155262140 /nfs/dbraw/zinc/26/21/40/155262140.db2.gz QQBWIFMCIZRNSN-OCCSQVGLSA-N 0 3 326.397 1.604 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000355321215 150215596 /nfs/dbraw/zinc/21/55/96/150215596.db2.gz UZUPHNNEVGBMJS-CVEARBPZSA-N 0 3 349.387 1.295 20 5 EDBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000358061528 151252480 /nfs/dbraw/zinc/25/24/80/151252480.db2.gz GRVAWQFKTOSPAE-ZDUSSCGKSA-N 0 3 347.293 1.410 20 5 EDBDHN CNc1c(C(=O)NC[C@@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000360952260 152261568 /nfs/dbraw/zinc/26/15/68/152261568.db2.gz YHUKRSQYGVNAOX-HNNXBMFYSA-N 0 3 338.433 1.804 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000364350336 153213944 /nfs/dbraw/zinc/21/39/44/153213944.db2.gz XAQBKNBLISLNIM-UHFFFAOYSA-N 0 3 331.380 1.209 20 5 EDBDHN N=C(NO)[C@@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000364406890 153228899 /nfs/dbraw/zinc/22/88/99/153228899.db2.gz CEFWDFXXGNNHTA-AAEUAGOBSA-N 0 3 338.364 1.145 20 5 EDBDHN Cn1cc(CN2C[C@@H](O)C3(CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364445892 153239707 /nfs/dbraw/zinc/23/97/07/153239707.db2.gz HINJJJOTSJMXRO-OAHLLOKOSA-N 0 3 328.372 1.952 20 5 EDBDHN Cn1cc(CN2C[C@H](O)C3(CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364445891 153239909 /nfs/dbraw/zinc/23/99/09/153239909.db2.gz HINJJJOTSJMXRO-HNNXBMFYSA-N 0 3 328.372 1.952 20 5 EDBDHN CN1CCC[C@@H](N2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000364553300 153268043 /nfs/dbraw/zinc/26/80/43/153268043.db2.gz BNDQSDPNLSQDNN-MRXNPFEDSA-N 0 3 348.447 1.685 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC2(CC1)NC(=O)NC2=O ZINC000272374645 292294935 /nfs/dbraw/zinc/29/49/35/292294935.db2.gz BBBSRYUIWMUJFJ-LLVKDONJSA-N 0 3 332.360 1.638 20 5 EDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)Cn1ccnn1)CCCC2 ZINC000417360843 304394778 /nfs/dbraw/zinc/39/47/78/304394778.db2.gz KHFTVZQCIGAZGA-HOCLYGCPSA-N 0 3 331.376 1.605 20 5 EDBDHN CCc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000371844088 156136265 /nfs/dbraw/zinc/13/62/65/156136265.db2.gz IRKHOPXSCCRTDZ-CABCVRRESA-N 0 3 333.388 1.750 20 5 EDBDHN CC[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000378322755 158140493 /nfs/dbraw/zinc/14/04/93/158140493.db2.gz XORPHSZLFWSPME-JKSUJKDBSA-N 0 3 332.404 1.552 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([C@H]3CCCOC3)CC2)c1 ZINC000378592374 158215979 /nfs/dbraw/zinc/21/59/79/158215979.db2.gz JSUYUVISQQHBII-HOCLYGCPSA-N 0 3 338.408 1.291 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408236774 158306711 /nfs/dbraw/zinc/30/67/11/158306711.db2.gz NTRMJRZDRXCPRQ-QWHCGFSZSA-N 0 3 341.433 1.864 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000130989407 287502591 /nfs/dbraw/zinc/50/25/91/287502591.db2.gz GUQIRZOLSLJWAV-CHWSQXEVSA-N 0 3 334.376 1.475 20 5 EDBDHN O=[N+]([O-])c1cnc(NCc2ccccc2CN2CC[C@@H](O)C2)nc1 ZINC000273904320 268091682 /nfs/dbraw/zinc/09/16/82/268091682.db2.gz IDBJJLSLEMCTFH-OAHLLOKOSA-N 0 3 329.360 1.564 20 5 EDBDHN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCOC1 ZINC000274603761 268166963 /nfs/dbraw/zinc/16/69/63/268166963.db2.gz LUCAWMBHVCCXHQ-NXEZZACHSA-N 0 3 337.332 1.277 20 5 EDBDHN CN(C)C1(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000275527747 268355450 /nfs/dbraw/zinc/35/54/50/268355450.db2.gz WMNQSZWZVGPJHS-UHFFFAOYSA-N 0 3 335.408 1.790 20 5 EDBDHN COCCO[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275553558 268360071 /nfs/dbraw/zinc/36/00/71/268360071.db2.gz NBQPUSTUXITXGD-HOCLYGCPSA-N 0 3 340.376 1.072 20 5 EDBDHN C[C@@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282750589 273712207 /nfs/dbraw/zinc/71/22/07/273712207.db2.gz KDMUQDVEANNCDZ-BXUZGUMPSA-N 0 3 346.387 1.713 20 5 EDBDHN C[C@@H]1[C@@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCN1C ZINC000342738854 274431633 /nfs/dbraw/zinc/43/16/33/274431633.db2.gz OGCMGLGXCVGFOP-KCXAZCMYSA-N 0 3 332.404 1.772 20 5 EDBDHN CCN(C)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000117259829 276069046 /nfs/dbraw/zinc/06/90/46/276069046.db2.gz MKYWVZKDVITOKD-UHFFFAOYSA-N 0 3 342.783 1.046 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]21 ZINC000408465497 277149371 /nfs/dbraw/zinc/14/93/71/277149371.db2.gz KKHIPSBHQGTQTO-ABAIWWIYSA-N 0 3 326.356 1.919 20 5 EDBDHN CN1CC[C@H]2OCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000345565203 277180020 /nfs/dbraw/zinc/18/00/20/277180020.db2.gz HHDGIRBIKYQPIA-HUUCEWRRSA-N 0 3 344.371 1.621 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000151605201 281259673 /nfs/dbraw/zinc/25/96/73/281259673.db2.gz ROMWRAIIFFTHAC-OAHLLOKOSA-N 0 3 332.404 1.646 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000290686330 288936647 /nfs/dbraw/zinc/93/66/47/288936647.db2.gz FAHBRVHEYGKTRP-CQSZACIVSA-N 0 3 348.403 1.648 20 5 EDBDHN C[C@@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262737617 297109705 /nfs/dbraw/zinc/10/97/05/297109705.db2.gz AVNFMJGSXLLOBO-PSASIEDQSA-N 0 3 333.797 1.525 20 5 EDBDHN C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000420441907 304758488 /nfs/dbraw/zinc/75/84/88/304758488.db2.gz PEZWXOQRXRMWIK-NKWVEPMBSA-N 0 3 341.311 1.628 20 5 EDBDHN CCCc1n[nH]c(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295286813 303199493 /nfs/dbraw/zinc/19/94/93/303199493.db2.gz IFNDDFBQJFBZJE-LLVKDONJSA-N 0 3 335.408 1.827 20 5 EDBDHN CCCc1[nH]nc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295286813 303199496 /nfs/dbraw/zinc/19/94/96/303199496.db2.gz IFNDDFBQJFBZJE-LLVKDONJSA-N 0 3 335.408 1.827 20 5 EDBDHN COC(=O)Cc1ccc(N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000297246885 303377465 /nfs/dbraw/zinc/37/74/65/303377465.db2.gz VDNZHUAMDMNXGW-AWEZNQCLSA-N 0 3 331.372 1.761 20 5 EDBDHN CS[C@@H]1CC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000425356549 304961742 /nfs/dbraw/zinc/96/17/42/304961742.db2.gz PMOIMDVJSBFKNL-CHWSQXEVSA-N 0 3 345.446 1.357 20 5 EDBDHN Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n(C2CCN(C)CC2)n1 ZINC000430446618 305053497 /nfs/dbraw/zinc/05/34/97/305053497.db2.gz LJWQZNQLRULULW-UHFFFAOYSA-N 0 3 347.379 1.202 20 5 EDBDHN Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)n(C2CCN(C)CC2)n1 ZINC000430481014 305054086 /nfs/dbraw/zinc/05/40/86/305054086.db2.gz DMACCPDCMROSKP-UHFFFAOYSA-N 0 3 347.379 1.202 20 5 EDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430640522 305060721 /nfs/dbraw/zinc/06/07/21/305060721.db2.gz RDGISVCPOWPLDA-GDBMZVCRSA-N 0 3 346.431 1.800 20 5 EDBDHN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)N(C)C ZINC000448681490 305301430 /nfs/dbraw/zinc/30/14/30/305301430.db2.gz NGMFHACBWFDTGR-LLVKDONJSA-N 0 3 332.360 1.588 20 5 EDBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451773109 305368383 /nfs/dbraw/zinc/36/83/83/305368383.db2.gz MATAIANTFQRKOT-NEPJUHHUSA-N 0 3 335.360 1.855 20 5 EDBDHN C[C@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000046408818 441106711 /nfs/dbraw/zinc/10/67/11/441106711.db2.gz YGTNGUKMXMFFRE-CYBMUJFWSA-N 0 3 348.403 1.315 20 5 EDBDHN Cn1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1=O ZINC000072665096 441247361 /nfs/dbraw/zinc/24/73/61/441247361.db2.gz KVXBKRPJKYPXPD-ZDUSSCGKSA-N 0 3 329.360 1.375 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000108406627 441452578 /nfs/dbraw/zinc/45/25/78/441452578.db2.gz YFVIQQLRDRDDAR-NSHDSACASA-N 0 3 343.405 1.224 20 5 EDBDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000112549518 441550854 /nfs/dbraw/zinc/55/08/54/441550854.db2.gz SPFHBPQEDHNHOS-JQWIXIFHSA-N 0 3 344.375 1.426 20 5 EDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067274393 441622931 /nfs/dbraw/zinc/62/29/31/441622931.db2.gz LOWHRNGAQDYKER-CQSZACIVSA-N 0 3 344.375 1.342 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)CCc1ccccc1 ZINC000090549041 441633848 /nfs/dbraw/zinc/63/38/48/441633848.db2.gz UOJPHDHEEQVRHW-UHFFFAOYSA-N 0 3 331.372 1.294 20 5 EDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)CN1CCN(C)CC1 ZINC000114379675 441651220 /nfs/dbraw/zinc/65/12/20/441651220.db2.gz UVAXDZABLKKHDT-GFCCVEGCSA-N 0 3 338.383 1.347 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000067785458 441680092 /nfs/dbraw/zinc/68/00/92/441680092.db2.gz YJZDGRLECOYDIM-UHFFFAOYSA-N 0 3 342.355 1.961 20 5 EDBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000115585889 441761979 /nfs/dbraw/zinc/76/19/79/441761979.db2.gz ISWKXJPMADFLEV-NSHDSACASA-N 0 3 345.396 1.696 20 5 EDBDHN O=C(NC1CCN(Cc2ccccc2F)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000136895494 441730241 /nfs/dbraw/zinc/73/02/41/441730241.db2.gz WQOJGEAILFFPGH-UHFFFAOYSA-N 0 3 347.350 1.851 20 5 EDBDHN COc1ccccc1[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N(C)C ZINC000158937128 441773266 /nfs/dbraw/zinc/77/32/66/441773266.db2.gz CUXBTBOHLSAHNK-LLVKDONJSA-N 0 3 333.348 1.359 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000115717059 441773539 /nfs/dbraw/zinc/77/35/39/441773539.db2.gz QCVQGSPWAIQMOY-CYBMUJFWSA-N 0 3 348.403 1.125 20 5 EDBDHN C[C@@H](NC(=O)NCC1(O)CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000077780093 441859817 /nfs/dbraw/zinc/85/98/17/441859817.db2.gz JPNJJLIGSUOTKF-GFCCVEGCSA-N 0 3 336.392 1.412 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC1CC[NH+](C)CC1 ZINC000120954180 442156680 /nfs/dbraw/zinc/15/66/80/442156680.db2.gz SRWNSWSWKGSXQO-UHFFFAOYSA-N 0 3 341.433 1.913 20 5 EDBDHN Cc1nn(C)c(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000128533421 442273158 /nfs/dbraw/zinc/27/31/58/442273158.db2.gz IVPQRIZEAWGVCA-LLVKDONJSA-N 0 3 337.424 1.877 20 5 EDBDHN CCN1CCN(CCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000171261807 442335306 /nfs/dbraw/zinc/33/53/06/442335306.db2.gz RYSQNDOLIGPDAU-AWEZNQCLSA-N 0 3 334.420 1.800 20 5 EDBDHN CC(C)(CC(N)=O)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000186252218 442496424 /nfs/dbraw/zinc/49/64/24/442496424.db2.gz AAVFYPVJFDKLRN-UHFFFAOYSA-N 0 3 328.756 1.430 20 5 EDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000178951053 442535792 /nfs/dbraw/zinc/53/57/92/442535792.db2.gz VNNJUTDDHOUGOU-CYBMUJFWSA-N 0 3 343.449 1.787 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)NCCCN2CCCC2)cc1[N+](=O)[O-] ZINC000191870468 442529008 /nfs/dbraw/zinc/52/90/08/442529008.db2.gz QOTLHOBCCXIQLK-UHFFFAOYSA-N 0 3 341.433 1.976 20 5 EDBDHN Cc1cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000173022279 442588234 /nfs/dbraw/zinc/58/82/34/442588234.db2.gz NSNPCBIBUJQGDJ-GFCCVEGCSA-N 0 3 339.417 1.666 20 5 EDBDHN COCCCN(C)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000188088552 442710139 /nfs/dbraw/zinc/71/01/39/442710139.db2.gz BMVKTSXTVVUMOH-UHFFFAOYSA-N 0 3 339.392 1.610 20 5 EDBDHN C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000246627562 442798000 /nfs/dbraw/zinc/79/80/00/442798000.db2.gz KEIQQFSFDMMSMN-CHWSQXEVSA-N 0 3 338.412 1.211 20 5 EDBDHN C[C@H]1CCNC(=O)[C@H]1NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000193647583 442763814 /nfs/dbraw/zinc/76/38/14/442763814.db2.gz KTVUDWMMTTWUSJ-ZBEGNZNMSA-N 0 3 344.371 1.907 20 5 EDBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000182550154 442785041 /nfs/dbraw/zinc/78/50/41/442785041.db2.gz BCCKCCZZQFXZCP-CYBMUJFWSA-N 0 3 331.376 1.428 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000268221746 442905594 /nfs/dbraw/zinc/90/55/94/442905594.db2.gz JMRBMBAVYPSWPX-AAEUAGOBSA-N 0 3 327.406 1.474 20 5 EDBDHN COc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000294640725 318616270 /nfs/dbraw/zinc/61/62/70/318616270.db2.gz QNJABKPNOFXKLG-SNVBAGLBSA-N 0 3 325.340 1.909 20 5 EDBDHN CN(C)CCN(Cc1ccccc1F)c1ncc([N+](=O)[O-])c(N)n1 ZINC000268331337 442951064 /nfs/dbraw/zinc/95/10/64/442951064.db2.gz PTIWGHWIGDGIBQ-UHFFFAOYSA-N 0 3 334.355 1.674 20 5 EDBDHN Cc1nc(N(C)C2CCN(CCn3cccn3)CC2)ncc1[N+](=O)[O-] ZINC000297040097 318744966 /nfs/dbraw/zinc/74/49/66/318744966.db2.gz HURMGPDUGBAZQA-UHFFFAOYSA-N 0 3 345.407 1.491 20 5 EDBDHN C[NH+](C)CC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000185097247 443135366 /nfs/dbraw/zinc/13/53/66/443135366.db2.gz NDHWVKKXEOLMNF-UHFFFAOYSA-N 0 3 341.433 1.995 20 5 EDBDHN Cc1ccc(NCCCNC(=O)C[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000269207314 443233424 /nfs/dbraw/zinc/23/34/24/443233424.db2.gz DSKBSTPKIMQHML-ZDUSSCGKSA-N 0 3 336.392 1.200 20 5 EDBDHN CCc1[n-]nc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000351239967 319097998 /nfs/dbraw/zinc/09/79/98/319097998.db2.gz IBLOAIDCUFQSJA-BMIGLBTASA-N 0 3 348.363 1.856 20 5 EDBDHN CCc1[n-]nc(-c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000351239967 319097999 /nfs/dbraw/zinc/09/79/99/319097999.db2.gz IBLOAIDCUFQSJA-BMIGLBTASA-N 0 3 348.363 1.856 20 5 EDBDHN O=C(CCN1CCc2ccccc2C1)NCCn1cc([N+](=O)[O-])cn1 ZINC000416175391 319398530 /nfs/dbraw/zinc/39/85/30/319398530.db2.gz HYCDSYBMFSSYHI-UHFFFAOYSA-N 0 3 343.387 1.356 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000272630078 443388711 /nfs/dbraw/zinc/38/87/11/443388711.db2.gz NCCONWZDFZFQQK-QMTHXVAHSA-N 0 3 329.360 1.637 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H]2CCO)cc1 ZINC000279369881 443566378 /nfs/dbraw/zinc/56/63/78/443566378.db2.gz WZLCULUGCUOIAQ-SWLSCSKDSA-N 0 3 342.417 1.509 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000279257863 443542463 /nfs/dbraw/zinc/54/24/63/443542463.db2.gz UOZMGJFMAPKQST-NSHDSACASA-N 0 3 338.383 1.966 20 5 EDBDHN CC(C)[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000487983556 320357153 /nfs/dbraw/zinc/35/71/53/320357153.db2.gz VVWSKDHHNBAOCP-GOEBONIOSA-N 0 3 337.420 1.607 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4cnc[nH]4)CC3)nc2c1 ZINC000280219967 443676717 /nfs/dbraw/zinc/67/67/17/443676717.db2.gz LCXXKNNCJFICQU-UHFFFAOYSA-N 0 3 341.375 1.907 20 5 EDBDHN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)N(C)C ZINC000277206668 443936840 /nfs/dbraw/zinc/93/68/40/443936840.db2.gz YNTGIVMKPNPNFA-SNVBAGLBSA-N 0 3 346.409 1.139 20 5 EDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1 ZINC000299071924 443946036 /nfs/dbraw/zinc/94/60/36/443946036.db2.gz PHLAKCDMYQYBBT-LSDHHAIUSA-N 0 3 339.417 1.641 20 5 EDBDHN CN1CC[C@H]2OCCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285227975 443903170 /nfs/dbraw/zinc/90/31/70/443903170.db2.gz KKOAPCSXNGVTEE-GDBMZVCRSA-N 0 3 349.387 1.295 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCCOc2ccccc2Cl)c1 ZINC000565300613 321180406 /nfs/dbraw/zinc/18/04/06/321180406.db2.gz XFXITYATPLDFMT-GFCCVEGCSA-N 0 3 340.767 1.474 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278106381 444097049 /nfs/dbraw/zinc/09/70/49/444097049.db2.gz RHMHNTGTQLTERO-GFCCVEGCSA-N 0 3 346.391 1.755 20 5 EDBDHN COCCN(C)C[C@@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000568532157 321296106 /nfs/dbraw/zinc/29/61/06/321296106.db2.gz AGJHDYBGFCNTAH-CQSZACIVSA-N 0 3 334.376 1.397 20 5 EDBDHN COCCN(C)C[C@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000568532156 321296194 /nfs/dbraw/zinc/29/61/94/321296194.db2.gz AGJHDYBGFCNTAH-AWEZNQCLSA-N 0 3 334.376 1.397 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)NC[C@@H](C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000571195597 321375946 /nfs/dbraw/zinc/37/59/46/321375946.db2.gz AZZKZPFCNCPHDU-CYBMUJFWSA-N 0 3 348.403 1.234 20 5 EDBDHN COc1ccc(Cl)cc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571364415 321384180 /nfs/dbraw/zinc/38/41/80/321384180.db2.gz VSQNDYSRRLXLFM-ZDUSSCGKSA-N 0 3 340.767 1.604 20 5 EDBDHN C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000278354532 444145297 /nfs/dbraw/zinc/14/52/97/444145297.db2.gz BAEOJIBFXIZFTH-GFCCVEGCSA-N 0 3 339.367 1.965 20 5 EDBDHN Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000296195389 444211926 /nfs/dbraw/zinc/21/19/26/444211926.db2.gz COHKXAVHYCOWPG-SNVBAGLBSA-N 0 3 338.339 1.143 20 5 EDBDHN CN(C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000290523910 444291472 /nfs/dbraw/zinc/29/14/72/444291472.db2.gz GQYHJONCYPCHEF-ZDUSSCGKSA-N 0 3 347.350 1.943 20 5 EDBDHN CCN1CCCC[C@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000340017451 444354699 /nfs/dbraw/zinc/35/46/99/444354699.db2.gz XUSLRTLGEXXEOV-LBPRGKRZSA-N 0 3 336.392 2.371 20 5 EDBDHN O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3CN4CCC[C@@H]4CO3)cc2N1 ZINC000327488237 444383114 /nfs/dbraw/zinc/38/31/14/444383114.db2.gz XMKJXONLQJBKMG-GHMZBOCLSA-N 0 3 348.359 1.201 20 5 EDBDHN COC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000342300193 444618809 /nfs/dbraw/zinc/61/88/09/444618809.db2.gz CKDCCKHTAQXPAJ-HUUCEWRRSA-N 0 3 338.339 1.269 20 5 EDBDHN C[C@H](N[C@@H]1CCC(=O)NC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000338599000 444767789 /nfs/dbraw/zinc/76/77/89/444767789.db2.gz RDZJLTNMTAAHQQ-GXFFZTMASA-N 0 3 334.376 1.569 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000336867523 444811711 /nfs/dbraw/zinc/81/17/11/444811711.db2.gz RNUBQGRAGHBGLE-SNVBAGLBSA-N 0 3 331.394 1.399 20 5 EDBDHN CN(C)C(=O)C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000341510247 444868851 /nfs/dbraw/zinc/86/88/51/444868851.db2.gz ZPDXETBCIFJFAC-OAHLLOKOSA-N 0 3 331.376 1.601 20 5 EDBDHN O=C(NCCNc1ccncc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000336993352 444891258 /nfs/dbraw/zinc/89/12/58/444891258.db2.gz MPCUYJDHZGYJEU-UHFFFAOYSA-N 0 3 325.328 1.735 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCOCCN(C)C ZINC000342916045 444939601 /nfs/dbraw/zinc/93/96/01/444939601.db2.gz HLUHNCQFTOFOJK-UHFFFAOYSA-N 0 3 325.365 1.680 20 5 EDBDHN CCOC[C@@H](O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000344555754 445057142 /nfs/dbraw/zinc/05/71/42/445057142.db2.gz RZSRGOFIQRUEJO-HNNXBMFYSA-N 0 3 334.376 1.482 20 5 EDBDHN C[C@H](N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)NCCF ZINC000337545562 445130470 /nfs/dbraw/zinc/13/04/70/445130470.db2.gz LLVHJNIAXKLYGT-SRVKXCTJSA-N 0 3 327.360 1.339 20 5 EDBDHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000354507004 445269805 /nfs/dbraw/zinc/26/98/05/445269805.db2.gz NUMFXZUUNHDPHF-SNVBAGLBSA-N 0 3 340.355 1.517 20 5 EDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1C[C@@H](F)CN1c1ccncn1 ZINC000348182808 445307863 /nfs/dbraw/zinc/30/78/63/445307863.db2.gz RQXBKSDVEWPXOJ-OLZOCXBDSA-N 0 3 349.370 1.130 20 5 EDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000348189137 445310792 /nfs/dbraw/zinc/31/07/92/445310792.db2.gz WKSLNTGQUNXUNV-JSGCOSHPSA-N 0 3 334.376 1.346 20 5 EDBDHN CSc1ccc(C(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000354707867 445346818 /nfs/dbraw/zinc/34/68/18/445346818.db2.gz AFJRAVGXBCUFFI-UHFFFAOYSA-N 0 3 339.417 1.503 20 5 EDBDHN CC(=O)N1CCC(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000354641006 445324527 /nfs/dbraw/zinc/32/45/27/445324527.db2.gz ZOVXZDZRVKDRPA-NSHDSACASA-N 0 3 334.376 1.522 20 5 EDBDHN CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000353623818 445680811 /nfs/dbraw/zinc/68/08/11/445680811.db2.gz SCBVMHSHFRHMPR-STQMWFEESA-N 0 3 341.433 1.897 20 5 EDBDHN Cc1ccnc(NC[C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000363135492 445691539 /nfs/dbraw/zinc/69/15/39/445691539.db2.gz VNKJRDPKDZXSAR-AWEZNQCLSA-N 0 3 330.392 1.929 20 5 EDBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Cc1ccccc1 ZINC000356450958 445797007 /nfs/dbraw/zinc/79/70/07/445797007.db2.gz ZMZNSSQLVSFCPF-ZDUSSCGKSA-N 0 3 343.387 1.674 20 5 EDBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000366190578 446071751 /nfs/dbraw/zinc/07/17/51/446071751.db2.gz HOLAJOCLQKLWDF-LBPRGKRZSA-N 0 3 325.390 1.639 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCCN(CC(C)(C)O)CC1 ZINC000366767139 446341312 /nfs/dbraw/zinc/34/13/12/446341312.db2.gz LGPBGKJJXLCERI-UHFFFAOYSA-N 0 3 337.420 1.882 20 5 EDBDHN CN(c1ncc([N+](=O)[O-])c(N)n1)C1CCN(Cc2ccccc2)CC1 ZINC000374214651 446357918 /nfs/dbraw/zinc/35/79/18/446357918.db2.gz WQNWHJLBXNAFBG-UHFFFAOYSA-N 0 3 342.403 2.068 20 5 EDBDHN CN1CCC(CC(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000365859046 446373628 /nfs/dbraw/zinc/37/36/28/446373628.db2.gz XBTMHWYCJVBYNR-CQSZACIVSA-N 0 3 335.408 1.687 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000411251543 446445185 /nfs/dbraw/zinc/44/51/85/446445185.db2.gz IBGXKIOBFDZJHD-OLZOCXBDSA-N 0 3 348.403 1.749 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000370751265 446415900 /nfs/dbraw/zinc/41/59/00/446415900.db2.gz XJVXXCNFWXSVBT-OAHLLOKOSA-N 0 3 334.376 1.970 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000411589901 446618515 /nfs/dbraw/zinc/61/85/15/446618515.db2.gz IJAKVVZASLKZAB-CQSZACIVSA-N 0 3 348.403 1.783 20 5 EDBDHN CC[C@]1(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCOC1 ZINC000616487753 450434247 /nfs/dbraw/zinc/43/42/47/450434247.db2.gz YMVIGZJEYJPFBF-INIZCTEOSA-N 0 3 338.360 1.805 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420470911 446647175 /nfs/dbraw/zinc/64/71/75/446647175.db2.gz QYKGODVMAVVOMX-NEPJUHHUSA-N 0 3 327.406 1.699 20 5 EDBDHN O=C(NC[C@@H]1CNCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418773749 446692000 /nfs/dbraw/zinc/69/20/00/446692000.db2.gz UMVVALMKRKVJSV-AWEZNQCLSA-N 0 3 334.376 1.257 20 5 EDBDHN CNS(=O)(=O)c1ccc(N(C)C[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000420634667 446713319 /nfs/dbraw/zinc/71/33/19/446713319.db2.gz LEMMIUJMSUKVSN-LLVKDONJSA-N 0 3 342.421 1.033 20 5 EDBDHN CCCc1n[n-]c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000619253389 450435195 /nfs/dbraw/zinc/43/51/95/450435195.db2.gz WRYXDSLWTSPSPP-JQWIXIFHSA-N 0 3 339.371 1.529 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421292398 447105663 /nfs/dbraw/zinc/10/56/63/447105663.db2.gz ARCLMSXVOMYUDK-ZDUSSCGKSA-N 0 3 348.403 1.703 20 5 EDBDHN Cc1c(NC(=O)[C@H](C)N2CC[C@@H](c3nc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000425541495 447219934 /nfs/dbraw/zinc/21/99/34/447219934.db2.gz FZYBOAHOTMRARB-NWDGAFQWSA-N 0 3 344.375 1.838 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000415499156 447482310 /nfs/dbraw/zinc/48/23/10/447482310.db2.gz JNYQPOOAYJDTCJ-SKDRFNHKSA-N 0 3 338.364 1.838 20 5 EDBDHN CC(COC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000495951269 447670117 /nfs/dbraw/zinc/67/01/17/447670117.db2.gz QDXAEZBTIHLVKL-VXGBXAGGSA-N 0 3 346.380 1.611 20 5 EDBDHN C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000451081254 447672933 /nfs/dbraw/zinc/67/29/33/447672933.db2.gz DCZUJXSFXOOSPX-CQSZACIVSA-N 0 3 346.431 1.974 20 5 EDBDHN CC(C)(CN1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000452083770 447813777 /nfs/dbraw/zinc/81/37/77/447813777.db2.gz LXVGTFCQXOGBEI-UHFFFAOYSA-N 0 3 345.396 1.887 20 5 EDBDHN COc1cc(C(=O)NCCN2CC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000525291528 447987898 /nfs/dbraw/zinc/98/78/98/447987898.db2.gz IIWAYDMXHDBRHK-LLVKDONJSA-N 0 3 337.376 1.684 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000525292623 447988813 /nfs/dbraw/zinc/98/88/13/447988813.db2.gz GUVDCFSOSJDFNC-CYBMUJFWSA-N 0 3 343.387 1.852 20 5 EDBDHN CCNc1nc(NCc2cccc([N+](=O)[O-])c2)nc(NC(C)(C)C)n1 ZINC000553008384 447967402 /nfs/dbraw/zinc/96/74/02/447967402.db2.gz HAPURUQVUNUZQS-UHFFFAOYSA-N 0 3 345.407 1.878 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCCS2)cc1 ZINC000570675387 448046240 /nfs/dbraw/zinc/04/62/40/448046240.db2.gz JHRKQZCDSYJLSX-GFCCVEGCSA-N 0 3 330.431 1.854 20 5 EDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000554889625 448052961 /nfs/dbraw/zinc/05/29/61/448052961.db2.gz TWLAWSWRJPJUFI-GFCCVEGCSA-N 0 3 337.380 1.035 20 5 EDBDHN COC1CCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532138552 448206415 /nfs/dbraw/zinc/20/64/15/448206415.db2.gz XSXWBJLCHIPBSZ-UHFFFAOYSA-N 0 3 336.392 1.609 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000591028973 448238853 /nfs/dbraw/zinc/23/88/53/448238853.db2.gz MMHVWMFLPKQEHV-WFASDCNBSA-N 0 3 346.387 1.313 20 5 EDBDHN Cc1c2ccccc2n(C)c1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577484331 448308741 /nfs/dbraw/zinc/30/87/41/448308741.db2.gz ODEXMLWHBPLXEI-CQSZACIVSA-N 0 3 343.387 1.742 20 5 EDBDHN Cc1c(C(=O)N2CCNCC2(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000591677727 448446043 /nfs/dbraw/zinc/44/60/43/448446043.db2.gz BKHWXXKCXJPAAA-UHFFFAOYSA-N 0 3 344.375 1.308 20 5 EDBDHN Cn1ncc2c1CCC[C@H]2NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516862224 448484542 /nfs/dbraw/zinc/48/45/42/448484542.db2.gz PXMIPCHUJLRRQK-TZMCWYRMSA-N 0 3 346.387 1.735 20 5 EDBDHN Cc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c(=O)n1C ZINC000517231451 448557496 /nfs/dbraw/zinc/55/74/96/448557496.db2.gz IFJMBKCDJLLVOY-AWEZNQCLSA-N 0 3 347.371 1.131 20 5 EDBDHN CN(C)CCCN(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000540491947 448638858 /nfs/dbraw/zinc/63/88/58/448638858.db2.gz PMHYFNZZZGWJLL-UHFFFAOYSA-N 0 3 345.403 1.947 20 5 EDBDHN COC(=O)c1cc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000518317404 448663811 /nfs/dbraw/zinc/66/38/11/448663811.db2.gz PCOOTGKTJNKWFP-IINYFYTJSA-N 0 3 333.344 1.158 20 5 EDBDHN CC(C)[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C ZINC000518398809 448676550 /nfs/dbraw/zinc/67/65/50/448676550.db2.gz GZPXNNAQLZRXOT-HNNXBMFYSA-N 0 3 335.408 1.225 20 5 EDBDHN CC1CCN(CCNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000585703427 448742369 /nfs/dbraw/zinc/74/23/69/448742369.db2.gz MSZUQJPGXQGINL-UHFFFAOYSA-N 0 3 347.419 1.929 20 5 EDBDHN CCc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000592389812 448819330 /nfs/dbraw/zinc/81/93/30/448819330.db2.gz SNOHVARPEBXEOW-QWRGUYRKSA-N 0 3 331.369 1.136 20 5 EDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000588005142 448855298 /nfs/dbraw/zinc/85/52/98/448855298.db2.gz WEKYTVOBLKLNAN-CQSZACIVSA-N 0 3 336.367 1.652 20 5 EDBDHN CCO[C@@H]1C[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000579702072 448856829 /nfs/dbraw/zinc/85/68/29/448856829.db2.gz NXPACFOBUKMNGC-BJJXKVORSA-N 0 3 337.376 1.705 20 5 EDBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860046 448941934 /nfs/dbraw/zinc/94/19/34/448941934.db2.gz BPDZMFIGDIABHJ-OLZOCXBDSA-N 0 3 344.371 1.357 20 5 EDBDHN Cc1c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000592877910 449032658 /nfs/dbraw/zinc/03/26/58/449032658.db2.gz ASVRHMURAJRHLR-LBPRGKRZSA-N 0 3 334.376 1.095 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000521461145 448990352 /nfs/dbraw/zinc/99/03/52/448990352.db2.gz WVGRAZIVACWYFU-LBPRGKRZSA-N 0 3 336.392 1.008 20 5 EDBDHN CNc1nccc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000521988578 449037010 /nfs/dbraw/zinc/03/70/10/449037010.db2.gz LKHBASSUYHVVNG-RYUDHWBXSA-N 0 3 335.408 1.882 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(=O)N(C)CC1 ZINC000595773584 449158401 /nfs/dbraw/zinc/15/84/01/449158401.db2.gz QKIAIDCWYXJLBA-UHFFFAOYSA-N 0 3 334.376 1.396 20 5 EDBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCC(N2CCCOCC2)CC1 ZINC000600007494 449146773 /nfs/dbraw/zinc/14/67/73/449146773.db2.gz UWLJYGHLJMQLQG-UHFFFAOYSA-N 0 3 339.417 1.983 20 5 EDBDHN CCN1C[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O ZINC000593686359 449147785 /nfs/dbraw/zinc/14/77/85/449147785.db2.gz HKFVSHCFROILAC-LLVKDONJSA-N 0 3 335.360 1.324 20 5 EDBDHN Cc1c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000590402484 449149838 /nfs/dbraw/zinc/14/98/38/449149838.db2.gz UVVAYQJCOPDOKL-JKSUJKDBSA-N 0 3 333.388 1.838 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000595805612 449178602 /nfs/dbraw/zinc/17/86/02/449178602.db2.gz ISHVVNZUSDJEOO-CQSZACIVSA-N 0 3 335.408 1.790 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000590561736 449191753 /nfs/dbraw/zinc/19/17/53/449191753.db2.gz FVFPAMVYPAUXLJ-LSDHHAIUSA-N 0 3 334.376 1.233 20 5 EDBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@@H]3CCC4(CNC4)O3)CC2)c1 ZINC000595886744 449233054 /nfs/dbraw/zinc/23/30/54/449233054.db2.gz YNSTWNRHTOQWBM-INIZCTEOSA-N 0 3 332.404 1.238 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](CN)C(F)(F)F ZINC000595909846 449247822 /nfs/dbraw/zinc/24/78/22/449247822.db2.gz SXXIWILBWRUPQK-NSHDSACASA-N 0 3 334.298 1.663 20 5 EDBDHN CN1CC[C@@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000590776541 449290648 /nfs/dbraw/zinc/29/06/48/449290648.db2.gz WMBREYCJLHUGTQ-WBMJQRKESA-N 0 3 341.371 1.557 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C3CCCCC3)C2)n1 ZINC000598221444 449296790 /nfs/dbraw/zinc/29/67/90/449296790.db2.gz UYUPUAMMOCUSNV-LBPRGKRZSA-N 0 3 335.408 1.948 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)n1 ZINC000598221443 449297730 /nfs/dbraw/zinc/29/77/30/449297730.db2.gz UYUPUAMMOCUSNV-GFCCVEGCSA-N 0 3 335.408 1.948 20 5 EDBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596076961 449351182 /nfs/dbraw/zinc/35/11/82/449351182.db2.gz DVKBOUAQHQUPPI-LBPRGKRZSA-N 0 3 335.408 1.132 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000602117068 449358084 /nfs/dbraw/zinc/35/80/84/449358084.db2.gz OBTWXCRWTVJNGY-JGGQBBKZSA-N 0 3 333.388 1.944 20 5 EDBDHN C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596125090 449375106 /nfs/dbraw/zinc/37/51/06/449375106.db2.gz ZKPCQUAGICEOIG-ZDUSSCGKSA-N 0 3 335.408 1.302 20 5 EDBDHN C[N@H+]1CCCC[C@H]1CN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596125090 449375107 /nfs/dbraw/zinc/37/51/07/449375107.db2.gz ZKPCQUAGICEOIG-ZDUSSCGKSA-N 0 3 335.408 1.302 20 5 EDBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN(C4CCOCC4)CC3)c2c1 ZINC000611707876 449389570 /nfs/dbraw/zinc/38/95/70/449389570.db2.gz MNFDCHZWHNNRIG-UHFFFAOYSA-N 0 3 343.387 1.839 20 5 EDBDHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000600618386 449462625 /nfs/dbraw/zinc/46/26/25/449462625.db2.gz CHIGVWZQEIHFKU-HRCADAONSA-N 0 3 333.388 1.966 20 5 EDBDHN Cn1ncc(C2CC2)c1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594733601 449656898 /nfs/dbraw/zinc/65/68/98/449656898.db2.gz ZEIHIIHAQAAWRJ-CQSZACIVSA-N 0 3 346.387 1.735 20 5 EDBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000594761526 449675810 /nfs/dbraw/zinc/67/58/10/449675810.db2.gz ZHPLSPJOYFJFNO-GFCCVEGCSA-N 0 3 340.405 1.096 20 5 EDBDHN CN1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC000598974927 449676650 /nfs/dbraw/zinc/67/66/50/449676650.db2.gz UAAYQNDWSKKIFS-UHFFFAOYSA-N 0 3 347.350 1.744 20 5 EDBDHN CC(C)(C)N1CC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594787713 449695941 /nfs/dbraw/zinc/69/59/41/449695941.db2.gz CUUPJRZJUFUWRA-LBPRGKRZSA-N 0 3 341.433 1.994 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(N2CCOC[C@H]2C)CC1 ZINC000602836019 449845718 /nfs/dbraw/zinc/84/57/18/449845718.db2.gz CJMWVWBEKQQUEE-CYBMUJFWSA-N 0 3 337.424 1.285 20 5 EDBDHN Cc1ccccc1CC1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000612677891 449830081 /nfs/dbraw/zinc/83/00/81/449830081.db2.gz HQAVXULXVRPPTO-QGZVFWFLSA-N 0 3 330.388 1.635 20 5 EDBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595119564 449879569 /nfs/dbraw/zinc/87/95/69/449879569.db2.gz VPROLHNSZOFVOO-ZETCQYMHSA-N 0 3 341.311 1.500 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC23CC(C2)C[NH2+]3)c(Cl)c1 ZINC000595127781 449887008 /nfs/dbraw/zinc/88/70/08/449887008.db2.gz ODIKNAJZJKMSDB-UHFFFAOYSA-N 0 3 331.781 1.279 20 5 EDBDHN CS[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000601380465 449896954 /nfs/dbraw/zinc/89/69/54/449896954.db2.gz VNZUKZUEYNYEDD-NEPJUHHUSA-N 0 3 327.381 1.852 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000601421924 449940391 /nfs/dbraw/zinc/94/03/91/449940391.db2.gz NAOGWBIYSPPDJZ-QWHCGFSZSA-N 0 3 341.433 1.925 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000603010671 450005513 /nfs/dbraw/zinc/00/55/13/450005513.db2.gz BXGSEXWWFGLZKS-QGZVFWFLSA-N 0 3 349.431 1.835 20 5 EDBDHN CN1CCN([C@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000613078176 450011716 /nfs/dbraw/zinc/01/17/16/450011716.db2.gz JFXVYIXNDBXKAE-BETUJISGSA-N 0 3 336.392 1.476 20 5 EDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCCn2cncn2)c1 ZINC000609440357 450028589 /nfs/dbraw/zinc/02/85/89/450028589.db2.gz QHROACPPWWHQNK-UHFFFAOYSA-N 0 3 327.291 1.968 20 5 EDBDHN O=C(N[C@H]1CCN(C2CC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609548613 450048132 /nfs/dbraw/zinc/04/81/32/450048132.db2.gz PGECHGNNXIDHNW-JTQLQIEISA-N 0 3 342.355 1.815 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)c1C ZINC000615293347 450051086 /nfs/dbraw/zinc/05/10/86/450051086.db2.gz QPWWBRUKZZUCCM-ZIAGYGMSSA-N 0 3 341.433 1.973 20 5 EDBDHN CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCOC1 ZINC000609631591 450077344 /nfs/dbraw/zinc/07/73/44/450077344.db2.gz CZYIQLAPHMBGEZ-ZDUSSCGKSA-N 0 3 333.388 1.842 20 5 EDBDHN CNc1c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000613234737 450094750 /nfs/dbraw/zinc/09/47/50/450094750.db2.gz CAAWSZLZHDSMHD-CYBMUJFWSA-N 0 3 348.403 1.620 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000184403302 534318536 /nfs/dbraw/zinc/31/85/36/534318536.db2.gz IDWKZBMPKUOVFR-AWEZNQCLSA-N 0 3 334.420 1.659 20 5 EDBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccco1 ZINC000359537006 519088426 /nfs/dbraw/zinc/08/84/26/519088426.db2.gz FVDHAODXJWYVTQ-MNOVXSKESA-N 0 3 335.364 1.781 20 5 EDBDHN CN1C(=O)N[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000345675305 536326487 /nfs/dbraw/zinc/32/64/87/536326487.db2.gz MFRVYGNHIWVNGS-STQMWFEESA-N 0 3 347.375 1.021 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000353211486 536476502 /nfs/dbraw/zinc/47/65/02/536476502.db2.gz UFBQKZAWOGKMRM-DJNLSKAYSA-N 0 3 344.389 1.003 20 5 EDBDHN Cc1ccc([C@H](O)CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000743248996 579474022 /nfs/dbraw/zinc/47/40/22/579474022.db2.gz ADBJTFROSMZSER-KZNAEPCWSA-N 0 3 346.383 1.621 20 5 EDBDHN CC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC ZINC000743259811 579474272 /nfs/dbraw/zinc/47/42/72/579474272.db2.gz NQLFTNWSXCNZDX-DZGCQCFKSA-N 0 3 334.376 1.902 20 5 EDBDHN CC(C)N1CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000727823962 578539073 /nfs/dbraw/zinc/53/90/73/578539073.db2.gz OSNBZFDBVHBOPY-UHFFFAOYSA-N 0 3 346.387 1.564 20 5 EDBDHN C[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCC1 ZINC000736801467 579021948 /nfs/dbraw/zinc/02/19/48/579021948.db2.gz WHUIMLBCPXYJNW-UHFFFAOYSA-N 0 3 332.368 1.456 20 5 EDBDHN C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCC1 ZINC000736801467 579021949 /nfs/dbraw/zinc/02/19/49/579021949.db2.gz WHUIMLBCPXYJNW-UHFFFAOYSA-N 0 3 332.368 1.456 20 5 EDBDHN C[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCC1 ZINC000736801467 579021950 /nfs/dbraw/zinc/02/19/50/579021950.db2.gz WHUIMLBCPXYJNW-UHFFFAOYSA-N 0 3 332.368 1.456 20 5 EDBDHN C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCC1 ZINC000736801467 579021951 /nfs/dbraw/zinc/02/19/51/579021951.db2.gz WHUIMLBCPXYJNW-UHFFFAOYSA-N 0 3 332.368 1.456 20 5 EDBDHN CN(C)Cc1ccc(CN(C)C(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000738516486 579190406 /nfs/dbraw/zinc/19/04/06/579190406.db2.gz BAXGGKDKEMOCQQ-UHFFFAOYSA-N 0 3 331.376 1.512 20 5 EDBDHN CN(C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000771141148 580280806 /nfs/dbraw/zinc/28/08/06/580280806.db2.gz OKTYMZGJRGIGJP-UHFFFAOYSA-N 0 3 330.772 1.948 20 5 EDBDHN CN1CCC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000771509326 580288169 /nfs/dbraw/zinc/28/81/69/580288169.db2.gz MCQOFUFRYOMOGW-SECBINFHSA-N 0 3 335.389 1.671 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000781995984 580562937 /nfs/dbraw/zinc/56/29/37/580562937.db2.gz SMWRGWAHGNMUAK-LRDDRELGSA-N 0 3 346.387 1.546 20 5 EDBDHN COc1cc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])cc1F ZINC000897221784 591776470 /nfs/dbraw/zinc/77/64/70/591776470.db2.gz OTSZFBHUCAJYLP-OLZOCXBDSA-N 0 3 339.367 1.778 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000897222534 591776746 /nfs/dbraw/zinc/77/67/46/591776746.db2.gz VOKKBXRMNWUTDL-KGLIPLIRSA-N 0 3 349.387 1.417 20 5 EDBDHN CCOC(=O)c1cc(N2CCNC[C@@H]2CCOC)ccc1[N+](=O)[O-] ZINC000900437883 592017891 /nfs/dbraw/zinc/01/78/91/592017891.db2.gz DREVHUVBKPLGFD-ZDUSSCGKSA-N 0 3 337.376 1.586 20 5 EDBDHN COC[C@@H]1CNCCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000900451669 592021366 /nfs/dbraw/zinc/02/13/66/592021366.db2.gz VMQUTBVYJZHGHS-AWEZNQCLSA-N 0 3 348.403 1.255 20 5 EDBDHN COc1cc([C@H](C)NC[C@@H](C)N2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903091436 592119016 /nfs/dbraw/zinc/11/90/16/592119016.db2.gz UEQCNURASUNAMT-KGLIPLIRSA-N 0 3 336.436 1.890 20 5 EDBDHN CN1CCOC[C@@]1(CO)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903278017 592150050 /nfs/dbraw/zinc/15/00/50/592150050.db2.gz KRGRLLUHGRJQCZ-SJORKVTESA-N 0 3 335.404 1.255 20 5 EDBDHN COC[C@H]1CNCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000903876381 592356619 /nfs/dbraw/zinc/35/66/19/592356619.db2.gz XTHIZNRVKBZNPQ-LLVKDONJSA-N 0 3 342.783 1.107 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906872421 592375605 /nfs/dbraw/zinc/37/56/05/592375605.db2.gz HAALTXSAOZCSRG-LBPRGKRZSA-N 0 3 349.387 1.828 20 5 EDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905926993 592685261 /nfs/dbraw/zinc/68/52/61/592685261.db2.gz XUOWETHHMROVGY-IRXDYDNUSA-N 0 3 338.404 1.708 20 5 EDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907547218 592702543 /nfs/dbraw/zinc/70/25/43/592702543.db2.gz CXDBYRNUTKULTB-YGRLFVJLSA-N 0 3 343.380 1.306 20 5 EDBDHN CCN1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000910285806 592821630 /nfs/dbraw/zinc/82/16/30/592821630.db2.gz DHGXEMRJVWMATN-CYBMUJFWSA-N 0 3 345.403 1.887 20 5 EDBDHN CN1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000911880441 593029898 /nfs/dbraw/zinc/02/98/98/593029898.db2.gz VUUTTXUFSWNMID-NSHDSACASA-N 0 3 340.811 1.282 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H]2CCCCS2(=O)=O)cc1 ZINC000819221753 593745072 /nfs/dbraw/zinc/74/50/72/593745072.db2.gz NSYVKNVMBQBWEF-UONOGXRCSA-N 0 3 328.390 1.185 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000819313181 593750186 /nfs/dbraw/zinc/75/01/86/593750186.db2.gz YLAVVYCIMAEHAQ-SMDDNHRTSA-N 0 3 328.390 1.043 20 5 EDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000820070537 593788334 /nfs/dbraw/zinc/78/83/34/593788334.db2.gz FZUKTDWDGIESTM-QLPKVWCKSA-N 0 3 340.383 1.794 20 5 EDBDHN C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820753061 593881916 /nfs/dbraw/zinc/88/19/16/593881916.db2.gz VXGNJKYPQJRFOD-GXFFZTMASA-N 0 3 331.380 1.551 20 5 EDBDHN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820753061 593881918 /nfs/dbraw/zinc/88/19/18/593881918.db2.gz VXGNJKYPQJRFOD-GXFFZTMASA-N 0 3 331.380 1.551 20 5 EDBDHN C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820753061 593881920 /nfs/dbraw/zinc/88/19/20/593881920.db2.gz VXGNJKYPQJRFOD-GXFFZTMASA-N 0 3 331.380 1.551 20 5 EDBDHN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820753061 593881921 /nfs/dbraw/zinc/88/19/21/593881921.db2.gz VXGNJKYPQJRFOD-GXFFZTMASA-N 0 3 331.380 1.551 20 5 EDBDHN CC[N@H+](C)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000821164938 593980578 /nfs/dbraw/zinc/98/05/78/593980578.db2.gz MKFGMAUEWKCAED-LLVKDONJSA-N 0 3 331.380 1.553 20 5 EDBDHN CC[N@@H+](C)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000821164938 593980580 /nfs/dbraw/zinc/98/05/80/593980580.db2.gz MKFGMAUEWKCAED-LLVKDONJSA-N 0 3 331.380 1.553 20 5 EDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825394208 594178006 /nfs/dbraw/zinc/17/80/06/594178006.db2.gz VGPUGSHMNBFXGK-IOASZLSFSA-N 0 3 335.404 1.865 20 5 EDBDHN COc1cc(C(=O)NCCN2CCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000828840547 594514437 /nfs/dbraw/zinc/51/44/37/594514437.db2.gz SAAHBMFJWJEJDD-SNVBAGLBSA-N 0 3 325.340 1.957 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000826829786 594584507 /nfs/dbraw/zinc/58/45/07/594584507.db2.gz KIHLGJHWLBCAGL-UKRRQHHQSA-N 0 3 339.417 1.182 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000827462170 594674533 /nfs/dbraw/zinc/67/45/33/594674533.db2.gz KNFMCYQHKLWTSI-UHFFFAOYSA-N 0 3 346.431 1.755 20 5 EDBDHN CCO[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000831743279 594698383 /nfs/dbraw/zinc/69/83/83/594698383.db2.gz FNHXPKJGKNFDOR-HNNXBMFYSA-N 0 3 337.420 1.955 20 5 EDBDHN CCO[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])CN(C)C ZINC000831777221 594702185 /nfs/dbraw/zinc/70/21/85/594702185.db2.gz UAMCNXIIIFWNJK-GFCCVEGCSA-N 0 3 325.365 1.057 20 5 EDBDHN CC(COC(=O)c1ccc(I)cn1)[N+](=O)[O-] ZINC000835455299 594829794 /nfs/dbraw/zinc/82/97/94/594829794.db2.gz NXGNTAHRVCPQET-ZCFIWIBFSA-N 0 3 336.085 1.508 20 5 EDBDHN C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000833426867 594846465 /nfs/dbraw/zinc/84/64/65/594846465.db2.gz RNZFHSFXYDMLLW-SUMWQHHRSA-N 0 3 347.415 1.961 20 5 EDBDHN Cc1cc(C(=O)N2CCN(c3ccncc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104825179 595128401 /nfs/dbraw/zinc/12/84/01/595128401.db2.gz AZCVTASFNCVROE-UHFFFAOYSA-N 0 3 341.371 1.843 20 5 EDBDHN CCCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C)C1 ZINC000843987363 595231971 /nfs/dbraw/zinc/23/19/71/595231971.db2.gz DQWLPSBKOARPNR-OAHLLOKOSA-N 0 3 345.403 1.887 20 5 EDBDHN CN1CC=C(CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848585519 595409738 /nfs/dbraw/zinc/40/97/38/595409738.db2.gz AENPRUSOUUGOKZ-UHFFFAOYSA-N 0 3 341.314 1.945 20 5 EDBDHN C[C@@H]1C[NH2+]CC[C@@H]1[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766769 595600724 /nfs/dbraw/zinc/60/07/24/595600724.db2.gz SCWGBIXQXJQGRM-SKDRFNHKSA-N 0 3 329.303 1.681 20 5 EDBDHN [NH3+]C[C@@H]1CC[C@@H]([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857766218 595600744 /nfs/dbraw/zinc/60/07/44/595600744.db2.gz OAAYQLWNLMMYAS-NXEZZACHSA-N 0 3 329.303 1.810 20 5 EDBDHN COCCN1CCC[C@H]1COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000861034278 595871834 /nfs/dbraw/zinc/87/18/34/595871834.db2.gz NNZNVUWSJRRWJJ-LBPRGKRZSA-N 0 3 340.380 1.180 20 5 EDBDHN CC(C)NC(=O)[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852697543 596229025 /nfs/dbraw/zinc/22/90/25/596229025.db2.gz VSNBJQBZMHWBCE-HOCLYGCPSA-N 0 3 335.404 1.865 20 5 EDBDHN O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863031522 596490852 /nfs/dbraw/zinc/49/08/52/596490852.db2.gz HRHMMQDSEOKBRW-HOTGVXAUSA-N 0 3 333.388 1.761 20 5 EDBDHN CN(CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000119722462 596725285 /nfs/dbraw/zinc/72/52/85/596725285.db2.gz AXLKBZJMSZPQQR-UHFFFAOYSA-N 0 3 333.435 1.809 20 5 EDBDHN C[C@@H](CN(C)C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868337677 596791010 /nfs/dbraw/zinc/79/10/10/596791010.db2.gz HNVDCNIANXJABO-VIFPVBQESA-N 0 3 344.209 1.966 20 5 EDBDHN CN(CCN1CC2(C1)CCOCC2)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000866258415 596840600 /nfs/dbraw/zinc/84/06/00/596840600.db2.gz VQWPVUFAOIKPPV-UHFFFAOYSA-N 0 3 346.391 1.186 20 5 EDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000874849101 597200997 /nfs/dbraw/zinc/20/09/97/597200997.db2.gz WKJDOWKKMAWVLB-VXGBXAGGSA-N 0 3 333.344 1.632 20 5 EDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1Cc2ccccc2CN1 ZINC000877345708 597497033 /nfs/dbraw/zinc/49/70/33/597497033.db2.gz AHXABWXKOXNXJN-MRXNPFEDSA-N 0 3 325.368 1.968 20 5 EDBDHN COc1cccc([C@@H]2CN(Cc3cn(C)nc3[N+](=O)[O-])CCN2)c1 ZINC000879522154 597616027 /nfs/dbraw/zinc/61/60/27/597616027.db2.gz GGYYANHKISWYML-HNNXBMFYSA-N 0 3 331.376 1.483 20 5 EDBDHN Cc1csc([C@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000880011120 597807731 /nfs/dbraw/zinc/80/77/31/597807731.db2.gz LWFLGLFYRMDGAZ-WCQYABFASA-N 0 3 337.405 1.407 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@H]1CCCN2C ZINC000880135480 597851985 /nfs/dbraw/zinc/85/19/85/597851985.db2.gz WCBVAQRCKXYIJN-HUUCEWRRSA-N 0 3 348.403 1.710 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)c2ccc[nH]2)CC1 ZINC001034591245 710271328 /nfs/dbraw/zinc/27/13/28/710271328.db2.gz BEPGYHWIIFGTJE-HAQNSBGRSA-N 0 3 346.391 1.487 20 5 EDBDHN O=C(NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)c1ncn[nH]1 ZINC001003814397 710587369 /nfs/dbraw/zinc/58/73/69/710587369.db2.gz SYZUQKHRDHNYKQ-UHFFFAOYSA-N 0 3 330.348 1.107 20 5 EDBDHN O=C(NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)c1nc[nH]n1 ZINC001003814397 710587371 /nfs/dbraw/zinc/58/73/71/710587371.db2.gz SYZUQKHRDHNYKQ-UHFFFAOYSA-N 0 3 330.348 1.107 20 5 EDBDHN CN(CCOc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174695202 529927800 /nfs/dbraw/zinc/92/78/00/529927800.db2.gz LIVPUTGJBCNWIY-ZDUSSCGKSA-N 0 3 338.339 1.302 20 5 EDBDHN CC(C)c1ccc(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563430418 306332828 /nfs/dbraw/zinc/33/28/28/306332828.db2.gz BEYUCZVRRBHWIK-ZFWWWQNUSA-N 0 3 332.404 1.462 20 5 EDBDHN Cc1c(NC(=O)CCN2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000026218770 202140733 /nfs/dbraw/zinc/14/07/33/202140733.db2.gz JLESWPJBEOLIPG-UHFFFAOYSA-N 0 3 334.376 1.429 20 5 EDBDHN CNC(=O)c1ccc(N2CC[C@H](OCCN(C)C)C2)c([N+](=O)[O-])c1 ZINC000352051847 283479817 /nfs/dbraw/zinc/47/98/17/283479817.db2.gz FWAAPIBHNOAORL-ZDUSSCGKSA-N 0 3 336.392 1.111 20 5 EDBDHN CCN(C)CCNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000119776297 204302612 /nfs/dbraw/zinc/30/26/12/204302612.db2.gz IQWSZZSDQLUWAB-UHFFFAOYSA-N 0 3 337.424 1.956 20 5 EDBDHN CCN1CCCC[C@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000110997035 204331309 /nfs/dbraw/zinc/33/13/09/204331309.db2.gz QGDZXEWPUBNAKJ-AWEZNQCLSA-N 0 3 349.387 1.777 20 5 EDBDHN CN(C)Cc1cccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000133175456 205360260 /nfs/dbraw/zinc/36/02/60/205360260.db2.gz UVGHYMJTLQPNBT-UHFFFAOYSA-N 0 3 346.391 1.352 20 5 EDBDHN Cc1cc(S(=O)(=O)NCCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000172015861 206779925 /nfs/dbraw/zinc/77/99/25/206779925.db2.gz UKSBHQOTNWJCAU-UHFFFAOYSA-N 0 3 327.406 1.667 20 5 EDBDHN C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]C1 ZINC000261828262 139229664 /nfs/dbraw/zinc/22/96/64/139229664.db2.gz BEEKELMZSAGIAO-CYBMUJFWSA-N 0 3 347.824 1.916 20 5 EDBDHN Cc1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cc1[N+](=O)[O-] ZINC000262143962 139254783 /nfs/dbraw/zinc/25/47/83/139254783.db2.gz FHRRJDBLHBVVSQ-UHFFFAOYSA-N 0 3 341.371 1.960 20 5 EDBDHN N[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000423855475 252092871 /nfs/dbraw/zinc/09/28/71/252092871.db2.gz WVNGDJSLMKJZRX-ZDUSSCGKSA-N 0 3 327.768 1.618 20 5 EDBDHN CCCCN(C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000112309025 220298173 /nfs/dbraw/zinc/29/81/73/220298173.db2.gz KSGGNNQCFBGJNY-UHFFFAOYSA-N 0 3 346.391 1.637 20 5 EDBDHN C[C@@H]1C[C@H]1N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H](C)C1 ZINC000488711331 255050152 /nfs/dbraw/zinc/05/01/52/255050152.db2.gz HHEDVRPPIWTPCZ-MISXGVKJSA-N 0 3 333.392 1.255 20 5 EDBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270382665 140089946 /nfs/dbraw/zinc/08/99/46/140089946.db2.gz QCLNRIQUADIPKJ-OLZOCXBDSA-N 0 3 326.378 1.985 20 5 EDBDHN O=C(CCN1CCN(CC2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339291834 142005430 /nfs/dbraw/zinc/00/54/30/142005430.db2.gz WCSBONGVVZTFIA-UHFFFAOYSA-N 0 3 332.404 1.951 20 5 EDBDHN CCN1CC[C@H]2OCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339396641 142036438 /nfs/dbraw/zinc/03/64/38/142036438.db2.gz YNRVKWOVYRCJHH-HZPDHXFCSA-N 0 3 348.403 1.328 20 5 EDBDHN CC(C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000345668334 143118945 /nfs/dbraw/zinc/11/89/45/143118945.db2.gz SIQVPVMPLPCQMI-TVQRCGJNSA-N 0 3 344.414 1.602 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N(C)C1 ZINC000346787229 143245852 /nfs/dbraw/zinc/24/58/52/143245852.db2.gz GPHYYXZQBKVMPJ-KGLIPLIRSA-N 0 3 340.355 1.917 20 5 EDBDHN C[N@@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416495076 304324748 /nfs/dbraw/zinc/32/47/48/304324748.db2.gz KPYPKRQKSKYLBW-VIFPVBQESA-N 0 3 333.797 1.478 20 5 EDBDHN C[N@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416495076 304324750 /nfs/dbraw/zinc/32/47/50/304324750.db2.gz KPYPKRQKSKYLBW-VIFPVBQESA-N 0 3 333.797 1.478 20 5 EDBDHN C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357594568 151078537 /nfs/dbraw/zinc/07/85/37/151078537.db2.gz NIWMAFXXOFNNTO-MRVPVSSYSA-N 0 3 328.756 1.253 20 5 EDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCc1ncn(C)n1 ZINC000358385904 151358637 /nfs/dbraw/zinc/35/86/37/151358637.db2.gz RSYHYBRXLGYZNR-NSHDSACASA-N 0 3 332.364 1.273 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000360845789 152227037 /nfs/dbraw/zinc/22/70/37/152227037.db2.gz BTFOTHLKJCYEER-WMLDXEAASA-N 0 3 346.431 1.693 20 5 EDBDHN Cc1c(NC(=O)CCN2CCN3CCOC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363801107 153060362 /nfs/dbraw/zinc/06/03/62/153060362.db2.gz RZEYLNDAILPDBB-AWEZNQCLSA-N 0 3 348.403 1.248 20 5 EDBDHN Cc1nn(C)c(C(=O)N2C[C@H](N)[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000364302700 153200212 /nfs/dbraw/zinc/20/02/12/153200212.db2.gz IAZSEEUQPAOGPQ-STQMWFEESA-N 0 3 347.350 1.343 20 5 EDBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364952502 153381515 /nfs/dbraw/zinc/38/15/15/153381515.db2.gz CVZHMSYNFSPDSG-OZVIIMIRSA-N 0 3 346.387 1.509 20 5 EDBDHN CCN1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3OC)C2)CC1 ZINC000373779195 157000704 /nfs/dbraw/zinc/00/07/04/157000704.db2.gz XKNSNILLGNRLAW-KRWDZBQOSA-N 0 3 348.447 1.815 20 5 EDBDHN COc1ccc([C@@H](O)[C@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000378249128 158120547 /nfs/dbraw/zinc/12/05/47/158120547.db2.gz OJIPWNVWTOOEGG-IAGOWNOFSA-N 0 3 346.387 1.998 20 5 EDBDHN C[C@@H](NC[C@@H]1CCCN1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000338119718 287033515 /nfs/dbraw/zinc/03/35/15/287033515.db2.gz LMVDFNYANJZHOR-RISCZKNCSA-N 0 3 327.406 1.669 20 5 EDBDHN CN(CCN1CCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000089900125 287324726 /nfs/dbraw/zinc/32/47/26/287324726.db2.gz FZXYLEIIOXMHQC-INIZCTEOSA-N 0 3 332.404 1.728 20 5 EDBDHN Cc1cc(C(=O)NCCCCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000122469773 287380722 /nfs/dbraw/zinc/38/07/22/287380722.db2.gz MSFGCBPAPLKHOK-UHFFFAOYSA-N 0 3 334.420 1.661 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-][C@@](C)(C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000124460378 287398427 /nfs/dbraw/zinc/39/84/27/287398427.db2.gz UUGXCJQNQXVHLS-CQSZACIVSA-N 0 3 329.422 1.945 20 5 EDBDHN COc1cc(C(=O)NCC2(N(C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000276079798 273148380 /nfs/dbraw/zinc/14/83/80/273148380.db2.gz WXOHVUISYDWRMA-UHFFFAOYSA-N 0 3 337.376 1.826 20 5 EDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000363918888 273532271 /nfs/dbraw/zinc/53/22/71/273532271.db2.gz IJCPYJBTLQTQDC-CYBMUJFWSA-N 0 3 336.392 1.428 20 5 EDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284527065 274234160 /nfs/dbraw/zinc/23/41/60/274234160.db2.gz WNOOECQDGIAMGF-YGRLFVJLSA-N 0 3 336.367 1.872 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000284774666 274326840 /nfs/dbraw/zinc/32/68/40/274326840.db2.gz XSXAERDXMXPKFY-MYNUTGAYSA-N 0 3 333.388 1.786 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(C)C1=O ZINC000341307428 274472566 /nfs/dbraw/zinc/47/25/66/274472566.db2.gz KWOAWWZPRXHWLW-BXUZGUMPSA-N 0 3 334.376 1.522 20 5 EDBDHN C[C@H]1NCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000262701249 274633011 /nfs/dbraw/zinc/63/30/11/274633011.db2.gz ASYAUSHQJGPFCP-VXGBXAGGSA-N 0 3 329.360 1.603 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000264251653 276093685 /nfs/dbraw/zinc/09/36/85/276093685.db2.gz XQUBPBYEGYNSNS-UHFFFAOYSA-N 0 3 338.383 1.724 20 5 EDBDHN COC(=O)c1cc(NC(=O)N[C@@H](C)CN(C)C)c(C)c([N+](=O)[O-])c1 ZINC000287504373 288252642 /nfs/dbraw/zinc/25/26/42/288252642.db2.gz HJOQCSOXQJBYQL-VIFPVBQESA-N 0 3 338.364 1.761 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCN(C[C@@H]3CCOC3)CC2)s1 ZINC000287891249 288348874 /nfs/dbraw/zinc/34/88/74/288348874.db2.gz OOYYYWULAYNBSM-NSHDSACASA-N 0 3 349.416 1.758 20 5 EDBDHN CN(C)C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000288347415 288465152 /nfs/dbraw/zinc/46/51/52/288465152.db2.gz VZZLGCOKHYAONY-OAHLLOKOSA-N 0 3 349.366 1.740 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC(C)(C)N(C)C ZINC000297973139 303478190 /nfs/dbraw/zinc/47/81/90/303478190.db2.gz VODOLFHYAFPWRZ-UHFFFAOYSA-N 0 3 336.392 1.607 20 5 EDBDHN Cc1n[nH]c(C(=O)N[C@H](Cc2ccccc2)CN(C)C)c1[N+](=O)[O-] ZINC000299525949 303625227 /nfs/dbraw/zinc/62/52/27/303625227.db2.gz KMPNXXNEKLDCJP-CYBMUJFWSA-N 0 3 331.376 1.529 20 5 EDBDHN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000434788446 305130338 /nfs/dbraw/zinc/13/03/38/305130338.db2.gz WOZVOPBHKCBCFW-CABCVRRESA-N 0 3 337.376 1.707 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000440766809 305212427 /nfs/dbraw/zinc/21/24/27/305212427.db2.gz ZDEBZNOGEBSELY-STQMWFEESA-N 0 3 341.433 1.878 20 5 EDBDHN CCN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCNC1=O ZINC000440956334 305214721 /nfs/dbraw/zinc/21/47/21/305214721.db2.gz AZXNFULDHCMXSH-GFCCVEGCSA-N 0 3 348.359 1.103 20 5 EDBDHN C[C@@H]1[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCN1C ZINC000445252986 305258339 /nfs/dbraw/zinc/25/83/39/305258339.db2.gz SOLWLKTXEQFIEW-ZYHUDNBSSA-N 0 3 346.391 1.753 20 5 EDBDHN COCC(COC)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449548127 305313409 /nfs/dbraw/zinc/31/34/09/305313409.db2.gz ZNMBLTKHZSKMMA-LLVKDONJSA-N 0 3 325.365 1.563 20 5 EDBDHN NS(=O)(=O)CCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546749 305352627 /nfs/dbraw/zinc/35/26/27/305352627.db2.gz JQMITLSPVRSZIJ-CYBMUJFWSA-N 0 3 327.406 1.453 20 5 EDBDHN O=C(NC[C@H]1CCCN1CCCO)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000452352328 305391868 /nfs/dbraw/zinc/39/18/68/305391868.db2.gz RTYGXYFNAUHTDU-CQSZACIVSA-N 0 3 347.371 1.918 20 5 EDBDHN O=C(NC[C@@H]1CCCCN1CCO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452370856 305394089 /nfs/dbraw/zinc/39/40/89/305394089.db2.gz GSZJSJXTCWPNSR-LBPRGKRZSA-N 0 3 346.387 1.653 20 5 EDBDHN CCc1ccc(C(=O)NC[C@H](C)N2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000471951403 305541693 /nfs/dbraw/zinc/54/16/93/305541693.db2.gz DOSIUJFDXPIFOC-AWEZNQCLSA-N 0 3 348.447 1.913 20 5 EDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCOCCN(C)C)c1 ZINC000540849892 306040823 /nfs/dbraw/zinc/04/08/23/306040823.db2.gz WPTQLAXRYHYBBB-UHFFFAOYSA-N 0 3 327.406 1.625 20 5 EDBDHN NC(=O)[C@H](Cc1ccc(F)cc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000542234828 306052216 /nfs/dbraw/zinc/05/22/16/306052216.db2.gz LIQYXXHVJCDUCA-INIZCTEOSA-N 0 3 347.346 1.799 20 5 EDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000554013341 306188752 /nfs/dbraw/zinc/18/87/52/306188752.db2.gz UCKBQKXADZAJNT-HIFRSBDPSA-N 0 3 340.401 1.421 20 5 EDBDHN CCN1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000555737626 306205777 /nfs/dbraw/zinc/20/57/77/306205777.db2.gz YVUCIHJUJXVODJ-UHFFFAOYSA-N 0 3 341.433 1.913 20 5 EDBDHN COCCNCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414955385 447371862 /nfs/dbraw/zinc/37/18/62/447371862.db2.gz UFOLSIXJFLNKAJ-UHFFFAOYSA-N 0 3 348.306 1.554 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000103998504 441187110 /nfs/dbraw/zinc/18/71/10/441187110.db2.gz GKQOJUYPMDNYCY-ZDUSSCGKSA-N 0 3 336.392 1.234 20 5 EDBDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000104070311 441187729 /nfs/dbraw/zinc/18/77/29/441187729.db2.gz BPSDZTWJENABAR-ZDUSSCGKSA-N 0 3 338.433 1.570 20 5 EDBDHN COC(=O)c1cc(C(=O)NCCN2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000047142741 441159191 /nfs/dbraw/zinc/15/91/91/441159191.db2.gz PZJZWZHGZXGFJQ-LBPRGKRZSA-N 0 3 349.387 1.986 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000106366143 441334990 /nfs/dbraw/zinc/33/49/90/441334990.db2.gz UPBHZJAEVCPUCE-SNVBAGLBSA-N 0 3 347.824 1.916 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108406607 441451996 /nfs/dbraw/zinc/45/19/96/441451996.db2.gz IDFPLMCIGDOMIG-GFCCVEGCSA-N 0 3 327.406 1.523 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3ccccc3F)C2)c1 ZINC000075718545 441551829 /nfs/dbraw/zinc/55/18/29/441551829.db2.gz CMTIGEVTALJAEK-OCCSQVGLSA-N 0 3 334.351 1.781 20 5 EDBDHN COCCCOC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090550472 441633811 /nfs/dbraw/zinc/63/38/11/441633811.db2.gz DSLZHPAOMOGWPD-UHFFFAOYSA-N 0 3 339.392 1.274 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1NCCCCN1CCN(CCO)CC1 ZINC000114450873 441657575 /nfs/dbraw/zinc/65/75/75/441657575.db2.gz FDHWWTVEJDPPFJ-UHFFFAOYSA-N 0 3 336.436 1.705 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000173718367 441828378 /nfs/dbraw/zinc/82/83/78/441828378.db2.gz WRHPTYOLYQPFAL-CQSZACIVSA-N 0 3 334.420 1.517 20 5 EDBDHN C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000122055462 441832537 /nfs/dbraw/zinc/83/25/37/441832537.db2.gz QWZIUGHKFYTSFL-CQSZACIVSA-N 0 3 334.420 1.137 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](CO)C1 ZINC000122202937 441839526 /nfs/dbraw/zinc/83/95/26/441839526.db2.gz ARRGNEDXUFYTFE-LBPRGKRZSA-N 0 3 337.376 1.636 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118097551 441887337 /nfs/dbraw/zinc/88/73/37/441887337.db2.gz XUAGFILWHGOKGS-ZDUSSCGKSA-N 0 3 334.376 1.442 20 5 EDBDHN Cc1[nH]ncc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093608181 441892094 /nfs/dbraw/zinc/89/20/94/441892094.db2.gz HFBQMUXPXRAWSJ-UHFFFAOYSA-N 0 3 329.360 1.584 20 5 EDBDHN C[C@@H]1CCCN(C(=O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000174820362 441972259 /nfs/dbraw/zinc/97/22/59/441972259.db2.gz NFUAZAKJKNTQGS-CQSZACIVSA-N 0 3 349.435 1.762 20 5 EDBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCC1 ZINC000078484620 441934878 /nfs/dbraw/zinc/93/48/78/441934878.db2.gz GPLQMVNQEYXWOU-NSHDSACASA-N 0 3 335.360 1.580 20 5 EDBDHN COc1cc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000150812741 441955407 /nfs/dbraw/zinc/95/54/07/441955407.db2.gz RVQIAYAXCAHZLA-LLVKDONJSA-N 0 3 343.405 1.318 20 5 EDBDHN O=C(CNC[C@@H]1CCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000165537453 442210048 /nfs/dbraw/zinc/21/00/48/442210048.db2.gz GTNIIDYIIXAAIY-INIZCTEOSA-N 0 3 348.403 1.012 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000129215388 442306497 /nfs/dbraw/zinc/30/64/97/442306497.db2.gz FWKQLGRETRNOMF-HNNXBMFYSA-N 0 3 343.387 1.745 20 5 EDBDHN CN(C)CCN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134517136 442489855 /nfs/dbraw/zinc/48/98/55/442489855.db2.gz MXUBPIIYTXBLGZ-UHFFFAOYSA-N 0 3 340.811 1.568 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000173022167 442588329 /nfs/dbraw/zinc/58/83/29/442588329.db2.gz JFSKNJAJNADRLT-SECBINFHSA-N 0 3 331.419 1.419 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000173022167 442588333 /nfs/dbraw/zinc/58/83/33/442588333.db2.gz JFSKNJAJNADRLT-SECBINFHSA-N 0 3 331.419 1.419 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186706787 442595621 /nfs/dbraw/zinc/59/56/21/442595621.db2.gz MYZMOVBXGVQWRU-UHFFFAOYSA-N 0 3 343.387 1.947 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2CCC[C@@H](C1)C2O ZINC000181889665 442720397 /nfs/dbraw/zinc/72/03/97/442720397.db2.gz ORRUGTYGZCBKPL-IAPGTGOOSA-N 0 3 336.388 1.427 20 5 EDBDHN COc1cccc2c1CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000193711367 442771358 /nfs/dbraw/zinc/77/13/58/442771358.db2.gz AQQVDQRUSRWWKZ-OAHLLOKOSA-N 0 3 346.387 1.262 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CN1C1CC1 ZINC000268040696 442827199 /nfs/dbraw/zinc/82/71/99/442827199.db2.gz XYIVZYCXSAIJHW-MNOVXSKESA-N 0 3 337.351 1.854 20 5 EDBDHN COc1cc(CNC[C@@](C)(O)CSC)c([N+](=O)[O-])cc1OC ZINC000265684365 442878925 /nfs/dbraw/zinc/87/89/25/442878925.db2.gz KHTAAIJVERMTFJ-CQSZACIVSA-N 0 3 330.406 1.816 20 5 EDBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000194492396 442906724 /nfs/dbraw/zinc/90/67/24/442906724.db2.gz AGGNRMQXVPJWSS-AWEZNQCLSA-N 0 3 331.376 1.080 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000268309342 442941720 /nfs/dbraw/zinc/94/17/20/442941720.db2.gz YXONXMTXAKRPFJ-JOYOIKCWSA-N 0 3 331.369 1.305 20 5 EDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N(C)Cc1ccccc1 ZINC000184458106 443023694 /nfs/dbraw/zinc/02/36/94/443023694.db2.gz LOLSRAAOPGHMRP-LBPRGKRZSA-N 0 3 343.387 1.822 20 5 EDBDHN CN(C(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296265847 318679077 /nfs/dbraw/zinc/67/90/77/318679077.db2.gz OHNLDDXLCUHMEK-BMFZPTHFSA-N 0 3 333.388 1.961 20 5 EDBDHN NC(=O)NC(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266521115 443154740 /nfs/dbraw/zinc/15/47/40/443154740.db2.gz CPTDWGFEKRSSGL-UHFFFAOYSA-N 0 3 336.348 1.023 20 5 EDBDHN CCN1CC[C@@H](NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412867533 319245069 /nfs/dbraw/zinc/24/50/69/319245069.db2.gz ATHAXUYEVAFRDY-SNVBAGLBSA-N 0 3 325.340 1.495 20 5 EDBDHN CCN1CC[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000413856057 319294189 /nfs/dbraw/zinc/29/41/89/319294189.db2.gz KHBZERVCAYZXPD-LBPRGKRZSA-N 0 3 336.396 1.232 20 5 EDBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185862604 443271337 /nfs/dbraw/zinc/27/13/37/443271337.db2.gz VRMRHTPZFYVWKK-CYBMUJFWSA-N 0 3 327.406 1.700 20 5 EDBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCNC1=O ZINC000282445760 443341277 /nfs/dbraw/zinc/34/12/77/443341277.db2.gz SEMPDZNSYNOKHX-CQSZACIVSA-N 0 3 334.376 1.442 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272592435 443376207 /nfs/dbraw/zinc/37/62/07/443376207.db2.gz NYIXZIASTXBREJ-GOEBONIOSA-N 0 3 332.404 1.873 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCSC1 ZINC000267129188 443351816 /nfs/dbraw/zinc/35/18/16/443351816.db2.gz REQXSRDITSZABG-CQSZACIVSA-N 0 3 342.396 1.483 20 5 EDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C1CCOCC1 ZINC000279319988 443555316 /nfs/dbraw/zinc/55/53/16/443555316.db2.gz FZZALOVRGCXHOK-KRWDZBQOSA-N 0 3 347.415 1.897 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000265351712 443613289 /nfs/dbraw/zinc/61/32/89/443613289.db2.gz KCYNNBFLJLXUGW-GFCCVEGCSA-N 0 3 332.360 1.479 20 5 EDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000440073350 320061440 /nfs/dbraw/zinc/06/14/40/320061440.db2.gz DTDJVOVSCDWELP-NSHDSACASA-N 0 3 345.421 1.612 20 5 EDBDHN C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000490039021 320362505 /nfs/dbraw/zinc/36/25/05/320362505.db2.gz BWLBCMXQPVWINQ-VIFPVBQESA-N 0 3 335.813 1.724 20 5 EDBDHN COCCN(CCN(C)C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491521121 320371047 /nfs/dbraw/zinc/37/10/47/320371047.db2.gz RRHNFKHWKAIFAS-ALCCZGGFSA-N 0 3 339.367 1.784 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccccc2CO)c1 ZINC000516571058 320438758 /nfs/dbraw/zinc/43/87/58/320438758.db2.gz LZWDDJXBTFIINO-MRXNPFEDSA-N 0 3 332.356 1.617 20 5 EDBDHN O=C(CCN1CCN(CC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000298776193 443865707 /nfs/dbraw/zinc/86/57/07/443865707.db2.gz CQNCSHQBFLIMGF-UHFFFAOYSA-N 0 3 332.404 1.951 20 5 EDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCCN1C1CC1 ZINC000277314556 443961440 /nfs/dbraw/zinc/96/14/40/443961440.db2.gz DAMIBKJPKAQFLZ-CYBMUJFWSA-N 0 3 336.396 1.107 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@](C)(O)CN(C)C)c1 ZINC000281660391 443972367 /nfs/dbraw/zinc/97/23/67/443972367.db2.gz SJPYAXZHEDZFLS-MRXNPFEDSA-N 0 3 339.392 1.101 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(CC)CCO ZINC000281996721 444058776 /nfs/dbraw/zinc/05/87/76/444058776.db2.gz PYIWDUSGFVPPSE-UHFFFAOYSA-N 0 3 340.380 1.429 20 5 EDBDHN CN1CCC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566117031 321217541 /nfs/dbraw/zinc/21/75/41/321217541.db2.gz OOZLSAYNDXBQFO-CYBMUJFWSA-N 0 3 327.406 1.052 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H](O)Cc2ccccc2)c1 ZINC000567872809 321263711 /nfs/dbraw/zinc/26/37/11/321263711.db2.gz HQRVFDCUFLGFSO-DLBZAZTESA-N 0 3 346.383 1.528 20 5 EDBDHN Cc1cnc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000301967509 444198459 /nfs/dbraw/zinc/19/84/59/444198459.db2.gz OUKNETBFLQUPPX-CYBMUJFWSA-N 0 3 333.392 1.217 20 5 EDBDHN COCCCN1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290636299 444304165 /nfs/dbraw/zinc/30/41/65/444304165.db2.gz NCVGOJVBHKVAPV-UHFFFAOYSA-N 0 3 337.380 1.002 20 5 EDBDHN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330997600 444352348 /nfs/dbraw/zinc/35/23/48/444352348.db2.gz VEOMLXSEXPUJDR-MNOVXSKESA-N 0 3 336.314 1.815 20 5 EDBDHN Cc1ccnc([C@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000580580836 322070965 /nfs/dbraw/zinc/07/09/65/322070965.db2.gz IYVSVZUQVDPQKW-DZGCQCFKSA-N 0 3 331.376 1.345 20 5 EDBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000580582804 322071391 /nfs/dbraw/zinc/07/13/91/322071391.db2.gz VQBPCPUIAIHNQW-UHFFFAOYSA-N 0 3 326.372 1.568 20 5 EDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342151006 444535577 /nfs/dbraw/zinc/53/55/77/444535577.db2.gz JRQVZWSKUTVWBI-CQSZACIVSA-N 0 3 330.388 1.836 20 5 EDBDHN NC(=O)[C@@H](Cc1ccc(F)cc1)NCCNc1ccccc1[N+](=O)[O-] ZINC000342408212 444679596 /nfs/dbraw/zinc/67/95/96/444679596.db2.gz IIPMMPNNCBLNNY-OAHLLOKOSA-N 0 3 346.362 1.832 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000338761980 444841818 /nfs/dbraw/zinc/84/18/18/444841818.db2.gz LHFUQXGNUADQPV-UHFFFAOYSA-N 0 3 349.416 2.084 20 5 EDBDHN CN(C)CCOc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000344276428 444876124 /nfs/dbraw/zinc/87/61/24/444876124.db2.gz WXJHOUMOJRFRCI-UHFFFAOYSA-N 0 3 347.375 1.761 20 5 EDBDHN CC[C@@H](NCC1(O)CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000330522197 445017073 /nfs/dbraw/zinc/01/70/73/445017073.db2.gz MEGMEZKJQGXFGT-CQSZACIVSA-N 0 3 342.417 1.575 20 5 EDBDHN O=C(NCCNc1ccncc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000341878963 445049118 /nfs/dbraw/zinc/04/91/18/445049118.db2.gz XKKZOXBNUCCRNJ-UHFFFAOYSA-N 0 3 326.316 1.130 20 5 EDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCN(C)CC1 ZINC000330850604 445165618 /nfs/dbraw/zinc/16/56/18/445165618.db2.gz WPGGDFMMMNRXGX-LBPRGKRZSA-N 0 3 338.412 1.038 20 5 EDBDHN Cc1cnc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000343421763 445219563 /nfs/dbraw/zinc/21/95/63/445219563.db2.gz DMVWOXFUVCLSHA-HUUCEWRRSA-N 0 3 333.436 1.760 20 5 EDBDHN COCCN(CCN(C)C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347949602 445257083 /nfs/dbraw/zinc/25/70/83/445257083.db2.gz VLNONWIQCSRJGR-GFCCVEGCSA-N 0 3 341.383 1.874 20 5 EDBDHN CC(=O)N1CCC(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000354641005 445324464 /nfs/dbraw/zinc/32/44/64/445324464.db2.gz ZOVXZDZRVKDRPA-LLVKDONJSA-N 0 3 334.376 1.522 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCSC1 ZINC000359740262 445401316 /nfs/dbraw/zinc/40/13/16/445401316.db2.gz QOHPUQQJWPHTQF-CQSZACIVSA-N 0 3 327.381 1.901 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@]1(CO)CCOC1 ZINC000359784970 445427251 /nfs/dbraw/zinc/42/72/51/445427251.db2.gz ARZHTPINJIGTIJ-MRXNPFEDSA-N 0 3 337.376 1.315 20 5 EDBDHN CN(C)CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)ccn1 ZINC000357291108 445529518 /nfs/dbraw/zinc/52/95/18/445529518.db2.gz DVCABQYBOWSWIC-UHFFFAOYSA-N 0 3 344.331 1.975 20 5 EDBDHN C[NH+](C)CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]3)n2)ccn1 ZINC000357291108 445529523 /nfs/dbraw/zinc/52/95/23/445529523.db2.gz DVCABQYBOWSWIC-UHFFFAOYSA-N 0 3 344.331 1.975 20 5 EDBDHN C[C@H]1CN(C)CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349661368 445638868 /nfs/dbraw/zinc/63/88/68/445638868.db2.gz FSIVYVURUJXUNK-WFASDCNBSA-N 0 3 341.433 1.298 20 5 EDBDHN COc1ccc(C(=O)N2CC[C@H](N(C)CCO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356053049 445591776 /nfs/dbraw/zinc/59/17/76/445591776.db2.gz WEZIYSWADRDRBQ-AAEUAGOBSA-N 0 3 337.376 1.131 20 5 EDBDHN C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000349705229 445651058 /nfs/dbraw/zinc/65/10/58/445651058.db2.gz GKPVQEDMJVTRIF-LLVKDONJSA-N 0 3 331.376 1.675 20 5 EDBDHN CN(C)CCOCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000349728114 445657615 /nfs/dbraw/zinc/65/76/15/445657615.db2.gz VWFWHDHXFJAGTO-UHFFFAOYSA-N 0 3 327.406 1.381 20 5 EDBDHN Cn1ccnc1[C@@H](NC[C@@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353676822 445703228 /nfs/dbraw/zinc/70/32/28/445703228.db2.gz WWUMHKUHMIORTB-RDJZCZTQSA-N 0 3 345.403 1.074 20 5 EDBDHN CCN1CCN(CCC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000359133987 445971634 /nfs/dbraw/zinc/97/16/34/445971634.db2.gz CCXFKJYCIWEARK-UHFFFAOYSA-N 0 3 348.447 1.623 20 5 EDBDHN COC(=O)c1cnc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000365057815 445998841 /nfs/dbraw/zinc/99/88/41/445998841.db2.gz BPXBKTXTVRQWDS-NEPJUHHUSA-N 0 3 336.348 1.052 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000361884236 446038883 /nfs/dbraw/zinc/03/88/83/446038883.db2.gz IFHBRHFVOZXKLX-AAEUAGOBSA-N 0 3 348.403 1.749 20 5 EDBDHN Cc1ccnc([C@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000583271483 326039925 /nfs/dbraw/zinc/03/99/25/326039925.db2.gz GULRHKBZPVKSPJ-AWEZNQCLSA-N 0 3 328.372 1.949 20 5 EDBDHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000411242352 446440113 /nfs/dbraw/zinc/44/01/13/446440113.db2.gz RNZWAPQKHCHHGT-NSHDSACASA-N 0 3 334.376 1.441 20 5 EDBDHN CN1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000367054463 446491840 /nfs/dbraw/zinc/49/18/40/446491840.db2.gz YGEPIMZVIQNDMX-RNCFNFMXSA-N 0 3 335.389 1.802 20 5 EDBDHN C[C@H]1CCNC[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420430251 446605889 /nfs/dbraw/zinc/60/58/89/446605889.db2.gz CHXWYIMIIWECID-AAEUAGOBSA-N 0 3 327.406 1.055 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000368232156 446726039 /nfs/dbraw/zinc/72/60/39/446726039.db2.gz PYHRGSMWZBBXSL-ILXRZTDVSA-N 0 3 336.392 1.186 20 5 EDBDHN O=C(C[C@@H]1CSCCN1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846018 446728722 /nfs/dbraw/zinc/72/87/22/446728722.db2.gz NHESOQDVIQJTKX-SNVBAGLBSA-N 0 3 329.809 1.960 20 5 EDBDHN O=C1[C@H](N[C@H](CO)[C@@H]2CCCOC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411999280 446780077 /nfs/dbraw/zinc/78/00/77/446780077.db2.gz XGWSZLCXILDLKN-DAXOMENPSA-N 0 3 349.387 1.077 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCN(C)CC[C@H]2C)c1F ZINC000412123580 446870897 /nfs/dbraw/zinc/87/08/97/446870897.db2.gz PKJQAVBOPLMBKS-LLVKDONJSA-N 0 3 339.367 1.838 20 5 EDBDHN C[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000442881977 446988814 /nfs/dbraw/zinc/98/88/14/446988814.db2.gz OTGIOOXZMAXZDJ-SMDDNHRTSA-N 0 3 335.360 1.596 20 5 EDBDHN C[C@H](CO)N1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444698215 447124726 /nfs/dbraw/zinc/12/47/26/447124726.db2.gz COCYUNKNUVAULS-GFCCVEGCSA-N 0 3 333.392 1.360 20 5 EDBDHN Cc1nn(C)cc1[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372739097 447260074 /nfs/dbraw/zinc/26/00/74/447260074.db2.gz IDUXKUIOZDBBIW-UKRRQHHQSA-N 0 3 334.380 1.031 20 5 EDBDHN Cc1nc(NCc2ccccc2CN2CC[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000450434058 447488363 /nfs/dbraw/zinc/48/83/63/447488363.db2.gz MIXCCLCSXXJCHZ-OAHLLOKOSA-N 0 3 343.387 1.872 20 5 EDBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC000450719521 447557372 /nfs/dbraw/zinc/55/73/72/447557372.db2.gz WGPYVBBZWOLMNT-UHFFFAOYSA-N 0 3 343.387 1.947 20 5 EDBDHN CCNC(=O)C(C)(C)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000459596821 447717167 /nfs/dbraw/zinc/71/71/67/447717167.db2.gz NZPQVIQWSKCHCL-UHFFFAOYSA-N 0 3 336.392 1.736 20 5 EDBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)O1 ZINC000531013735 448000986 /nfs/dbraw/zinc/00/09/86/448000986.db2.gz CUHVINQMWZISHV-CHWSQXEVSA-N 0 3 338.408 1.553 20 5 EDBDHN CNc1nccc(C(=O)N(CCN(C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000563374911 448298146 /nfs/dbraw/zinc/29/81/46/448298146.db2.gz XYZHDWCBDOGCCL-UHFFFAOYSA-N 0 3 349.435 2.368 20 5 EDBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000577645140 448350230 /nfs/dbraw/zinc/35/02/30/448350230.db2.gz CXWURHSSJFJVMB-UHFFFAOYSA-N 0 3 331.376 1.958 20 5 EDBDHN CNc1nccc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000566437122 448470962 /nfs/dbraw/zinc/47/09/62/448470962.db2.gz XAWBSONOPWEOAE-LBPRGKRZSA-N 0 3 333.392 1.732 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CCN(S(C)(=O)=O)C1 ZINC000573007647 448522228 /nfs/dbraw/zinc/52/22/28/448522228.db2.gz HOLKZVBZPQZMAR-BCNIOPEESA-N 0 3 339.417 1.622 20 5 EDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000573327028 448600339 /nfs/dbraw/zinc/60/03/39/448600339.db2.gz YXMVCXIDGBJOEJ-GFCCVEGCSA-N 0 3 337.424 1.715 20 5 EDBDHN C[C@@H](C(=O)NC[C@H]1CCCCN1CCO)c1cccc([N+](=O)[O-])c1 ZINC000518315177 448663938 /nfs/dbraw/zinc/66/39/38/448663938.db2.gz ZBISMLXHBWGVJP-CZUORRHYSA-N 0 3 335.404 1.661 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000574168387 448808578 /nfs/dbraw/zinc/80/85/78/448808578.db2.gz KEJIWTCLUCSFOC-ZDUSSCGKSA-N 0 3 348.403 1.751 20 5 EDBDHN CN(C)CCN(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574213710 448819405 /nfs/dbraw/zinc/81/94/05/448819405.db2.gz ZSGAWWRHUGAWHZ-UHFFFAOYSA-N 0 3 333.392 1.822 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548089414 448980821 /nfs/dbraw/zinc/98/08/21/448980821.db2.gz JWTOKKHCDWGBSZ-RISCZKNCSA-N 0 3 329.360 1.568 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588861305 448941436 /nfs/dbraw/zinc/94/14/36/448941436.db2.gz PREJCIMCZAOBDD-LSDHHAIUSA-N 0 3 347.415 1.801 20 5 EDBDHN CN1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](c2ccccc2)C1 ZINC000592879650 449033924 /nfs/dbraw/zinc/03/39/24/449033924.db2.gz AZXNYBJKJUIUIK-OLZOCXBDSA-N 0 3 329.360 1.393 20 5 EDBDHN CN1CCC(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000589832509 449065254 /nfs/dbraw/zinc/06/52/54/449065254.db2.gz KFWRPQDVXQNOCR-UHFFFAOYSA-N 0 3 347.419 1.370 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000590012786 449096846 /nfs/dbraw/zinc/09/68/46/449096846.db2.gz YNJMFWGCXJDUMK-BXUZGUMPSA-N 0 3 334.376 1.178 20 5 EDBDHN CO[C@@]1(CO)CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595657982 449101072 /nfs/dbraw/zinc/10/10/72/449101072.db2.gz GIPOMWRKLLRWFS-INIZCTEOSA-N 0 3 337.376 1.397 20 5 EDBDHN CN(C)CCn1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000593049414 449114587 /nfs/dbraw/zinc/11/45/87/449114587.db2.gz PQTJCXCAUVVEEM-UHFFFAOYSA-N 0 3 335.339 1.673 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000593733606 449169380 /nfs/dbraw/zinc/16/93/80/449169380.db2.gz XQLFJGCLJLOFLF-UHFFFAOYSA-N 0 3 341.433 1.880 20 5 EDBDHN CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CCN(CC)C1 ZINC000598039073 449208640 /nfs/dbraw/zinc/20/86/40/449208640.db2.gz IFSVSWFRNZWTRT-LBPRGKRZSA-N 0 3 335.360 1.880 20 5 EDBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000595891757 449236187 /nfs/dbraw/zinc/23/61/87/449236187.db2.gz NXFFQECTCWVIQA-AWEZNQCLSA-N 0 3 332.404 1.238 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000602071719 449322073 /nfs/dbraw/zinc/32/20/73/449322073.db2.gz FAUVZKVWEQRVDI-UKRRQHHQSA-N 0 3 335.360 1.083 20 5 EDBDHN O=[N+]([O-])c1ccc2nc(NCCCN3CCC(O)CC3)ccc2c1 ZINC000596086646 449356031 /nfs/dbraw/zinc/35/60/31/449356031.db2.gz VMBYEBLHKJXYDV-UHFFFAOYSA-N 0 3 330.388 2.402 20 5 EDBDHN CCCN1CC[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000598343406 449357955 /nfs/dbraw/zinc/35/79/55/449357955.db2.gz UJTXBZOVFNAJRH-LBPRGKRZSA-N 0 3 344.375 1.390 20 5 EDBDHN CCCN1CC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000598342908 449358035 /nfs/dbraw/zinc/35/80/35/449358035.db2.gz OSKUMDUUTUVYIG-AWEZNQCLSA-N 0 3 343.387 1.995 20 5 EDBDHN CCCN1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000598343766 449358193 /nfs/dbraw/zinc/35/81/93/449358193.db2.gz XFAAJZZPVCIQPP-NSHDSACASA-N 0 3 335.360 1.580 20 5 EDBDHN C[C@@H]1C[C@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000596155398 449387950 /nfs/dbraw/zinc/38/79/50/449387950.db2.gz JSNSUDUSVQCAPS-KOLCDFICSA-N 0 3 340.405 1.279 20 5 EDBDHN Cc1cc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c([N+](=O)[O-])s1 ZINC000596167639 449393140 /nfs/dbraw/zinc/39/31/40/449393140.db2.gz FSSIVSNGAVIQBO-GFCCVEGCSA-N 0 3 338.433 1.708 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1 ZINC000598572713 449470518 /nfs/dbraw/zinc/47/05/18/449470518.db2.gz FVMSAPYVOOHLFW-LBPRGKRZSA-N 0 3 335.360 1.436 20 5 EDBDHN CO[C@@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000600662994 449479592 /nfs/dbraw/zinc/47/95/92/449479592.db2.gz ZFSAKVOOZXFAGP-FRRDWIJNSA-N 0 3 337.376 1.902 20 5 EDBDHN Cc1ccc(S(=O)(=O)N[C@H]2CNCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598714716 449559142 /nfs/dbraw/zinc/55/91/42/449559142.db2.gz JKDJFBUJHYIPSU-CABZTGNLSA-N 0 3 327.406 1.488 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000598995434 449686110 /nfs/dbraw/zinc/68/61/10/449686110.db2.gz VPVCPOLEMLJYCI-HUUCEWRRSA-N 0 3 341.433 1.853 20 5 EDBDHN COC(=O)CCNC(=O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000599088059 449725832 /nfs/dbraw/zinc/72/58/32/449725832.db2.gz IRCWEVRBILOTEX-LBPRGKRZSA-N 0 3 337.376 1.623 20 5 EDBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599279992 449854940 /nfs/dbraw/zinc/85/49/40/449854940.db2.gz SJYTUWJHGLNSBE-UHFFFAOYSA-N 0 3 347.441 1.071 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CCN(C)C)CC(=O)N(C)C ZINC000597203907 449868951 /nfs/dbraw/zinc/86/89/51/449868951.db2.gz ANLYSJBFMHONJT-PTNGSMBKSA-N 0 3 348.447 1.950 20 5 EDBDHN CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595119916 449881547 /nfs/dbraw/zinc/88/15/47/449881547.db2.gz AEDFMHAXLPMOOV-LLVKDONJSA-N 0 3 335.813 1.900 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOC3CCOCC3)C2)nc1 ZINC000599326571 449894585 /nfs/dbraw/zinc/89/45/85/449894585.db2.gz ZNXZDNAFXQTZTO-CYBMUJFWSA-N 0 3 336.392 1.672 20 5 EDBDHN CS[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000601380466 449896789 /nfs/dbraw/zinc/89/67/89/449896789.db2.gz VNZUKZUEYNYEDD-NWDGAFQWSA-N 0 3 327.381 1.852 20 5 EDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000602961052 449962393 /nfs/dbraw/zinc/96/23/93/449962393.db2.gz TVSGTADHBXCYSL-MRXNPFEDSA-N 0 3 333.392 1.670 20 5 EDBDHN C[C@](CO)(NCCN1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000602961741 449963980 /nfs/dbraw/zinc/96/39/80/449963980.db2.gz CDAJOROXPYWECK-IXDOHACOSA-N 0 3 335.404 1.255 20 5 EDBDHN Cc1nn(CCC(=O)N[C@H]2CCN(CC3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000609382727 450021149 /nfs/dbraw/zinc/02/11/49/450021149.db2.gz CZTXXEZNUWEADD-AWEZNQCLSA-N 0 3 335.408 1.399 20 5 EDBDHN CCN1CCN(CC(C)(C)NCc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595522122 450204914 /nfs/dbraw/zinc/20/49/14/450204914.db2.gz IOKOWXZDXOZOOV-UHFFFAOYSA-N 0 3 325.413 1.397 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)N1CCN(C)CC1 ZINC000615720662 450210944 /nfs/dbraw/zinc/21/09/44/450210944.db2.gz ISWKSBSQKJGWMN-GXDHUFHOSA-N 0 3 332.404 1.362 20 5 EDBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC000597712984 450215979 /nfs/dbraw/zinc/21/59/79/450215979.db2.gz AROQNQSTWYMSAS-MRXNPFEDSA-N 0 3 336.367 1.874 20 5 EDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CSCCN1 ZINC000603419382 450292510 /nfs/dbraw/zinc/29/25/10/450292510.db2.gz NEDKOULWVWFNGK-ZCFIWIBFSA-N 0 3 325.316 1.464 20 5 EDBDHN COc1ccc(CNC[C@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000610673429 450294218 /nfs/dbraw/zinc/29/42/18/450294218.db2.gz DBTLJXNKPAKKDJ-ZDUSSCGKSA-N 0 3 340.376 1.250 20 5 EDBDHN COc1ccccc1[C@@H]1CNCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603431752 450300428 /nfs/dbraw/zinc/30/04/28/450300428.db2.gz YQYUAMQTYPIMNF-AWEZNQCLSA-N 0 3 331.376 1.483 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C1 ZINC000618924247 450343115 /nfs/dbraw/zinc/34/31/15/450343115.db2.gz SETWJEQXTKIEFL-KRWDZBQOSA-N 0 3 346.387 1.605 20 5 EDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H](CO)Cc1ccco1)OCCO2 ZINC000610871157 450362674 /nfs/dbraw/zinc/36/26/74/450362674.db2.gz LWMNGSKORLWQQW-LBPRGKRZSA-N 0 3 348.355 1.900 20 5 EDBDHN CCN(CCO)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000183936546 528547744 /nfs/dbraw/zinc/54/77/44/528547744.db2.gz SFDLNDBJZHKWBF-UHFFFAOYSA-N 0 3 337.420 1.936 20 5 EDBDHN CCc1n[nH]c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346202180 536001821 /nfs/dbraw/zinc/00/18/21/536001821.db2.gz SXKRSJLVXUEMTF-NQBHXWOUSA-N 0 3 335.408 1.683 20 5 EDBDHN CCc1[nH]nc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346202180 536001827 /nfs/dbraw/zinc/00/18/27/536001827.db2.gz SXKRSJLVXUEMTF-NQBHXWOUSA-N 0 3 335.408 1.683 20 5 EDBDHN COc1ccc(NC(=O)CN[C@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352819190 536772458 /nfs/dbraw/zinc/77/24/58/536772458.db2.gz VVRCAVQMHPQJAV-SKDRFNHKSA-N 0 3 325.390 1.883 20 5 EDBDHN CC(C)[NH2+]C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735892611 578936578 /nfs/dbraw/zinc/93/65/78/578936578.db2.gz LVOFHUBJVFGRKK-UHFFFAOYSA-N 0 3 332.368 1.137 20 5 EDBDHN CC(C)[NH2+]C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735892611 578936579 /nfs/dbraw/zinc/93/65/79/578936579.db2.gz LVOFHUBJVFGRKK-UHFFFAOYSA-N 0 3 332.368 1.137 20 5 EDBDHN CC(=O)N1CCN(CCNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761522320 580058667 /nfs/dbraw/zinc/05/86/67/580058667.db2.gz OHJQMUGVMKFYEN-UHFFFAOYSA-N 0 3 340.811 1.502 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000755232141 579923332 /nfs/dbraw/zinc/92/33/32/579923332.db2.gz UVXCZWVPAOOJPH-OAHLLOKOSA-N 0 3 343.387 1.490 20 5 EDBDHN Cc1cc(F)cc(C(=O)NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000758497232 579984202 /nfs/dbraw/zinc/98/42/02/579984202.db2.gz MUKVMBJUSNNICN-UHFFFAOYSA-N 0 3 339.367 1.619 20 5 EDBDHN CN(C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000771624395 580290527 /nfs/dbraw/zinc/29/05/27/580290527.db2.gz CCQOHYHZUYOYDO-UHFFFAOYSA-N 0 3 336.392 1.360 20 5 EDBDHN O=C(CN[C@@H](CCO)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000771803734 580294714 /nfs/dbraw/zinc/29/47/14/580294714.db2.gz UHKUXVVQFAJLBP-JTQLQIEISA-N 0 3 337.332 1.013 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000781424827 580549271 /nfs/dbraw/zinc/54/92/71/580549271.db2.gz ZLKQNNGYGYYSPN-MWDXBVQZSA-N 0 3 336.388 1.944 20 5 EDBDHN CCCN(CCN(C)C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781682514 580554669 /nfs/dbraw/zinc/55/46/69/580554669.db2.gz RGEXMBGEWZJIEM-INIZCTEOSA-N 0 3 348.403 1.888 20 5 EDBDHN CN(C)C(=O)CCN1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800849590 581059589 /nfs/dbraw/zinc/05/95/89/581059589.db2.gz GTGWOQHFNHFYDG-UHFFFAOYSA-N 0 3 335.408 1.532 20 5 EDBDHN COc1cnccc1N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800871071 581060495 /nfs/dbraw/zinc/06/04/95/581060495.db2.gz FZDRBITWDLHZGK-UHFFFAOYSA-N 0 3 329.360 1.907 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000892340724 590968440 /nfs/dbraw/zinc/96/84/40/590968440.db2.gz UOYOEYIFQAIRFQ-UHFFFAOYSA-N 0 3 345.403 1.897 20 5 EDBDHN CN1CCC[C@@H](N2CCN(c3ccc4nonc4c3[N+](=O)[O-])CC2)C1 ZINC000892561696 591073718 /nfs/dbraw/zinc/07/37/18/591073718.db2.gz RIEZILBYQPSRIJ-GFCCVEGCSA-N 0 3 346.391 1.347 20 5 EDBDHN CN1CCC(NCc2cn(Cc3ccccc3[N+](=O)[O-])nn2)CC1 ZINC000900495997 592034594 /nfs/dbraw/zinc/03/45/94/592034594.db2.gz OIHRWZMGOQJFBJ-UHFFFAOYSA-N 0 3 330.392 1.418 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000900686980 592094862 /nfs/dbraw/zinc/09/48/62/592094862.db2.gz QMUCTUMTAKSJIJ-AWEZNQCLSA-N 0 3 348.447 1.967 20 5 EDBDHN CN1CCOC[C@]1(CO)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903279739 592151297 /nfs/dbraw/zinc/15/12/97/592151297.db2.gz RVLPGNXMBUAOLM-FUHWJXTLSA-N 0 3 349.431 1.600 20 5 EDBDHN CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736569725 593019064 /nfs/dbraw/zinc/01/90/64/593019064.db2.gz ILDWFQCOTJDKMO-JTQLQIEISA-N 0 3 332.368 1.314 20 5 EDBDHN CC[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736569725 593019066 /nfs/dbraw/zinc/01/90/66/593019066.db2.gz ILDWFQCOTJDKMO-JTQLQIEISA-N 0 3 332.368 1.314 20 5 EDBDHN CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736569725 593019069 /nfs/dbraw/zinc/01/90/69/593019069.db2.gz ILDWFQCOTJDKMO-JTQLQIEISA-N 0 3 332.368 1.314 20 5 EDBDHN CC[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736569725 593019071 /nfs/dbraw/zinc/01/90/71/593019071.db2.gz ILDWFQCOTJDKMO-JTQLQIEISA-N 0 3 332.368 1.314 20 5 EDBDHN Cc1cc(NC(=O)C(=O)NCCN2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000839490476 593307384 /nfs/dbraw/zinc/30/73/84/593307384.db2.gz IRDPVYBQUQZMDU-GFCCVEGCSA-N 0 3 334.376 1.442 20 5 EDBDHN Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106101 593517840 /nfs/dbraw/zinc/51/78/40/593517840.db2.gz YGXPVFSELLLSHP-XSHGTHSTSA-N 0 3 335.295 1.327 20 5 EDBDHN CC(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[N+](=O)[O-] ZINC000813108367 593517987 /nfs/dbraw/zinc/51/79/87/593517987.db2.gz FDPBZWJOBDZXRS-SNVBAGLBSA-N 0 3 339.304 1.253 20 5 EDBDHN CC(COC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)[N+](=O)[O-] ZINC000813108526 593518297 /nfs/dbraw/zinc/51/82/97/593518297.db2.gz GYNZLSBKBPMDEZ-LLVKDONJSA-N 0 3 336.344 1.939 20 5 EDBDHN CC(COC(=O)c1cnn2cc(Br)cnc12)[N+](=O)[O-] ZINC000813109783 593518399 /nfs/dbraw/zinc/51/83/99/593518399.db2.gz WQSQGNQQSSOWHN-ZCFIWIBFSA-N 0 3 329.110 1.314 20 5 EDBDHN CC(C)n1ncc2cc(C=CC(=O)OCC(C)[N+](=O)[O-])c(=O)[nH]c21 ZINC000813111311 593518461 /nfs/dbraw/zinc/51/84/61/593518461.db2.gz GKPKZJHIYBYNDL-ORAHPGNNSA-N 0 3 334.332 1.527 20 5 EDBDHN COc1cc2c(cc1OC)CN(CC(=O)OCC(C)[N+](=O)[O-])CC2 ZINC000813111396 593518621 /nfs/dbraw/zinc/51/86/21/593518621.db2.gz SZKNNDJCJFREAO-NSHDSACASA-N 0 3 338.360 1.270 20 5 EDBDHN Cc1oc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000813115807 593519121 /nfs/dbraw/zinc/51/91/21/593519121.db2.gz ZXTMSMLLFGLNMC-SECBINFHSA-N 0 3 346.361 1.195 20 5 EDBDHN CN1C[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)[C@@H]2C1 ZINC000816953896 593563146 /nfs/dbraw/zinc/56/31/46/593563146.db2.gz PGTZVPLDGRLHFN-XZJROXQQSA-N 0 3 344.371 1.250 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000815141861 593617815 /nfs/dbraw/zinc/61/78/15/593617815.db2.gz JQBHMBHVLGULIJ-HOTGVXAUSA-N 0 3 347.375 1.049 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000820075562 593789026 /nfs/dbraw/zinc/78/90/26/593789026.db2.gz PMEWRTVCSGVOLF-QLPKVWCKSA-N 0 3 341.371 1.038 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000820086258 593789791 /nfs/dbraw/zinc/78/97/91/593789791.db2.gz WHGWHMFENAUKKB-NHAGDIPZSA-N 0 3 341.371 1.189 20 5 EDBDHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821623812 593884646 /nfs/dbraw/zinc/88/46/46/593884646.db2.gz SYPUBDFESSYCIW-QWHCGFSZSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821623812 593884647 /nfs/dbraw/zinc/88/46/47/593884647.db2.gz SYPUBDFESSYCIW-QWHCGFSZSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821623812 593884649 /nfs/dbraw/zinc/88/46/49/593884649.db2.gz SYPUBDFESSYCIW-QWHCGFSZSA-N 0 3 343.391 1.695 20 5 EDBDHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821623812 593884650 /nfs/dbraw/zinc/88/46/50/593884650.db2.gz SYPUBDFESSYCIW-QWHCGFSZSA-N 0 3 343.391 1.695 20 5 EDBDHN CC[N@@H+]1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000821255252 593999560 /nfs/dbraw/zinc/99/95/60/593999560.db2.gz XDTWYQAWACTMCL-YPMHNXCESA-N 0 3 345.407 1.941 20 5 EDBDHN CC[N@H+]1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000821255252 593999563 /nfs/dbraw/zinc/99/95/63/593999563.db2.gz XDTWYQAWACTMCL-YPMHNXCESA-N 0 3 345.407 1.941 20 5 EDBDHN CC[N@@H+]1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000821255252 593999565 /nfs/dbraw/zinc/99/95/65/593999565.db2.gz XDTWYQAWACTMCL-YPMHNXCESA-N 0 3 345.407 1.941 20 5 EDBDHN CC[N@H+]1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000821255252 593999566 /nfs/dbraw/zinc/99/95/66/593999566.db2.gz XDTWYQAWACTMCL-YPMHNXCESA-N 0 3 345.407 1.941 20 5 EDBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000829561918 594640725 /nfs/dbraw/zinc/64/07/25/594640725.db2.gz WSWAOIJINKDMAA-SSDOTTSWSA-N 0 3 333.753 1.156 20 5 EDBDHN CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)CN(C)C ZINC000831771342 594701625 /nfs/dbraw/zinc/70/16/25/594701625.db2.gz LBCAFJDVYUVBEY-LLVKDONJSA-N 0 3 329.784 1.945 20 5 EDBDHN Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H](N)c3ccccc3)n2)n1C ZINC000843221340 595042365 /nfs/dbraw/zinc/04/23/65/595042365.db2.gz HXSBYXORPRDOIU-LLVKDONJSA-N 0 3 328.332 1.929 20 5 EDBDHN CC([C@@H](OC(=O)CCn1cnccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845882635 595087656 /nfs/dbraw/zinc/08/76/56/595087656.db2.gz PGVVSWXOBWOJII-MEDUHNTESA-N 0 3 349.318 1.722 20 5 EDBDHN N=C(COC[C@H]1CCOC1)NOCc1c(F)cccc1[N+](=O)[O-] ZINC000842659754 595162138 /nfs/dbraw/zinc/16/21/38/595162138.db2.gz WGQPHNCMZZDICM-JTQLQIEISA-N 0 3 327.312 1.785 20 5 EDBDHN Cc1ccc(CNC(=O)C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000867421673 595232466 /nfs/dbraw/zinc/23/24/66/595232466.db2.gz ZMGXPGYMRWGBEJ-UHFFFAOYSA-N 0 3 348.403 1.074 20 5 EDBDHN Cc1cccc(OC[C@H](O)CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843068439 595279757 /nfs/dbraw/zinc/27/97/57/595279757.db2.gz JSAINKXEHXEBJH-AEFFLSMTSA-N 0 3 346.383 1.966 20 5 EDBDHN Cc1ccc([C@H](O)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000843084955 595283256 /nfs/dbraw/zinc/28/32/56/595283256.db2.gz DYDAWMVMNRMGFC-DZGCQCFKSA-N 0 3 336.344 1.559 20 5 EDBDHN CC[C@H]1CN(C)CCCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000846987072 595347255 /nfs/dbraw/zinc/34/72/55/595347255.db2.gz FFUNZSNINXPGEP-AWEZNQCLSA-N 0 3 349.387 1.729 20 5 EDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108297704 595488860 /nfs/dbraw/zinc/48/88/60/595488860.db2.gz LNMBNDBIXSFWAP-ZDUSSCGKSA-N 0 3 332.404 1.875 20 5 EDBDHN C[C@H]1C[C@@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000857765468 595600132 /nfs/dbraw/zinc/60/01/32/595600132.db2.gz AEGGMPDDFXYXQM-UWVGGRQHSA-N 0 3 329.303 1.823 20 5 EDBDHN CC(C)(C)N1CC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000855287025 595661948 /nfs/dbraw/zinc/66/19/48/595661948.db2.gz GPOJESIYNSJBRR-ZDUSSCGKSA-N 0 3 345.403 1.934 20 5 EDBDHN O=C1N(CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000853118456 595671433 /nfs/dbraw/zinc/67/14/33/595671433.db2.gz MWNRTKBAHCEXTP-CVEARBPZSA-N 0 3 348.403 1.508 20 5 EDBDHN O=C1OC[C@]2(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)COCCN12 ZINC000866522573 596240215 /nfs/dbraw/zinc/24/02/15/596240215.db2.gz WPJLPBMVBPULOT-WBVHZDCISA-N 0 3 347.371 1.783 20 5 EDBDHN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000862142692 596251188 /nfs/dbraw/zinc/25/11/88/596251188.db2.gz BLHVSFSWGNHGAY-LSDHHAIUSA-N 0 3 341.367 1.639 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCNCCC2(C)C)c1C ZINC000866804083 596356192 /nfs/dbraw/zinc/35/61/92/596356192.db2.gz QAPSQMPCZFQWLT-UHFFFAOYSA-N 0 3 341.433 1.974 20 5 EDBDHN CN1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000867812492 596564822 /nfs/dbraw/zinc/56/48/22/596564822.db2.gz KKBOZUWCTRSASP-GXFFZTMASA-N 0 3 343.380 1.449 20 5 EDBDHN CN1CC[C@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000867815008 596566212 /nfs/dbraw/zinc/56/62/12/596566212.db2.gz WPVOAEVHGUVOEJ-ZFWWWQNUSA-N 0 3 339.417 1.451 20 5 EDBDHN CN(CCCN1CCN(C)CC1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865530883 596602554 /nfs/dbraw/zinc/60/25/54/596602554.db2.gz CQDCQXNOAVYPCN-UHFFFAOYSA-N 0 3 340.399 1.300 20 5 EDBDHN COc1cc(N[C@H]2CCN(CC(C)(C)O)C2)c([N+](=O)[O-])cc1OC ZINC000865998440 596753133 /nfs/dbraw/zinc/75/31/33/596753133.db2.gz IDGCERZAKKOJRI-NSHDSACASA-N 0 3 339.392 1.869 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCCN1CCN(C)CC1 ZINC000874001285 596895394 /nfs/dbraw/zinc/89/53/94/596895394.db2.gz CRDPKTXNTDFLEH-UHFFFAOYSA-N 0 3 348.447 1.969 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000874468197 597093773 /nfs/dbraw/zinc/09/37/73/597093773.db2.gz FTZHMWFINCXTQC-CYBMUJFWSA-N 0 3 348.447 1.825 20 5 EDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000874833537 597190707 /nfs/dbraw/zinc/19/07/07/597190707.db2.gz OGJIWZQSSGNUFJ-RYUDHWBXSA-N 0 3 347.400 1.908 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(CCN(C)C)CC1 ZINC000873840544 597413546 /nfs/dbraw/zinc/41/35/46/597413546.db2.gz SVTUHUVRHSADNN-UHFFFAOYSA-N 0 3 334.420 1.531 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CN(CCN(C)C)C(=O)[C@H]1C ZINC000877606542 597540941 /nfs/dbraw/zinc/54/09/41/597540941.db2.gz DPEABPLGVDJLJQ-CQSZACIVSA-N 0 3 334.420 1.763 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@@H]1CCCN2C ZINC000880135479 597852142 /nfs/dbraw/zinc/85/21/42/597852142.db2.gz WCBVAQRCKXYIJN-GJZGRUSLSA-N 0 3 348.403 1.710 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@H]3CCN(C)C[C@H]3C2)c([N+](=O)[O-])s1 ZINC000916660321 696711266 /nfs/dbraw/zinc/71/12/66/696711266.db2.gz KTTJKPJDYKLHND-MNOVXSKESA-N 0 3 345.446 1.537 20 5 EDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000916666568 696716403 /nfs/dbraw/zinc/71/64/03/696716403.db2.gz SVFJCWRHUNIORZ-MNOVXSKESA-N 0 3 343.380 1.306 20 5 EDBDHN CC(C)[C@@H]1CN(C)CCN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000153621063 695885095 /nfs/dbraw/zinc/88/50/95/695885095.db2.gz VBOLXZVBJIXYCF-AWEZNQCLSA-N 0 3 346.387 1.420 20 5 EDBDHN CCC1(C(=O)N2CCC(NCc3c([N+](=O)[O-])ncn3C)CC2)CCC1 ZINC000996892086 703162437 /nfs/dbraw/zinc/16/24/37/703162437.db2.gz HHAKQKOKVOSZJJ-UHFFFAOYSA-N 0 3 349.435 1.989 20 5 EDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562786310 306308885 /nfs/dbraw/zinc/30/88/85/306308885.db2.gz BUQYMGLRZOBYBW-NEPJUHHUSA-N 0 3 329.422 1.882 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184408277 235391254 /nfs/dbraw/zinc/39/12/54/235391254.db2.gz JFNLDCKBUNVKOR-AWEZNQCLSA-N 0 3 334.420 1.659 20 5 EDBDHN CCCOCc1ccccc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000053836330 202663204 /nfs/dbraw/zinc/66/32/04/202663204.db2.gz KSYOWEYOVKTKKO-UHFFFAOYSA-N 0 3 333.348 1.429 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)c1C ZINC000104748524 204118486 /nfs/dbraw/zinc/11/84/86/204118486.db2.gz LLAFUMOGCUAADP-CYBMUJFWSA-N 0 3 341.433 1.784 20 5 EDBDHN C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000105090239 204131875 /nfs/dbraw/zinc/13/18/75/204131875.db2.gz YEDDITJXERFTMG-LBPRGKRZSA-N 0 3 335.408 1.789 20 5 EDBDHN COCCCN1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134244088 205397569 /nfs/dbraw/zinc/39/75/69/205397569.db2.gz ACLVFYGXGLXXPE-UHFFFAOYSA-N 0 3 339.367 1.965 20 5 EDBDHN COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])cc1OC ZINC000245436951 139074672 /nfs/dbraw/zinc/07/46/72/139074672.db2.gz DNTPOJWIHDAVBS-NEPJUHHUSA-N 0 3 349.387 1.921 20 5 EDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245538502 139078427 /nfs/dbraw/zinc/07/84/27/139078427.db2.gz ZDTMIZHSUJPTKY-CMPLNLGQSA-N 0 3 335.360 1.736 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246110918 139095427 /nfs/dbraw/zinc/09/54/27/139095427.db2.gz JTIIUFGRXTZJRM-MGPQQGTHSA-N 0 3 326.422 1.512 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000160492546 206300153 /nfs/dbraw/zinc/30/01/53/206300153.db2.gz FNRUTWYIBKOUQN-AWEZNQCLSA-N 0 3 343.387 1.895 20 5 EDBDHN Cc1nn(CCC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000247563777 139152395 /nfs/dbraw/zinc/15/23/95/139152395.db2.gz ZUAURBXINQXZSC-FZMZJTMJSA-N 0 3 337.424 1.739 20 5 EDBDHN CC1(C)C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261749112 139222850 /nfs/dbraw/zinc/22/28/50/139222850.db2.gz PWYMJJFYFUBMMQ-GFCCVEGCSA-N 0 3 347.824 1.915 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C[NH3+])C(C)(C)C)cc1C ZINC000262291975 139267283 /nfs/dbraw/zinc/26/72/83/139267283.db2.gz NHNPSRQBDUGLQA-ZDUSSCGKSA-N 0 3 329.422 1.863 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000262444849 139279568 /nfs/dbraw/zinc/27/95/68/139279568.db2.gz HFUKFCIGGBZKQS-VHSXEESVSA-N 0 3 329.378 1.022 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177222557 207308077 /nfs/dbraw/zinc/30/80/77/207308077.db2.gz GINGQDFCIWZAPI-STQMWFEESA-N 0 3 332.404 1.772 20 5 EDBDHN C[C@H]1NCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000262832914 139306665 /nfs/dbraw/zinc/30/66/65/139306665.db2.gz VPILEKQTXPYBPF-VXGBXAGGSA-N 0 3 329.360 1.603 20 5 EDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H](CO)CN1CCCCC1 ZINC000493262436 255200087 /nfs/dbraw/zinc/20/00/87/255200087.db2.gz KOBRUPZZMUBAAA-MVGZEHJDSA-N 0 3 333.388 1.571 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)cc1[N+](=O)[O-] ZINC000118102969 221117562 /nfs/dbraw/zinc/11/75/62/221117562.db2.gz IUAQFSRBCQAETM-AWEZNQCLSA-N 0 3 334.376 1.298 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000184381166 533583455 /nfs/dbraw/zinc/58/34/55/533583455.db2.gz JFSQRJUKVOEBBL-HNNXBMFYSA-N 0 3 348.447 1.670 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)c1C ZINC000268272243 139752519 /nfs/dbraw/zinc/75/25/19/139752519.db2.gz SZRGEXCFRZWHLX-SMDDNHRTSA-N 0 3 341.433 1.782 20 5 EDBDHN CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1N(C)C ZINC000270540974 140119948 /nfs/dbraw/zinc/11/99/48/140119948.db2.gz XNIXQQPTBIDNEH-RYUDHWBXSA-N 0 3 342.396 1.434 20 5 EDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1=CCN(C)CC1 ZINC000271929872 140374546 /nfs/dbraw/zinc/37/45/46/140374546.db2.gz VBCPOEVGKJOKGP-GFCCVEGCSA-N 0 3 346.387 1.091 20 5 EDBDHN CC[C@@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(C)(C)O ZINC000339540242 142070932 /nfs/dbraw/zinc/07/09/32/142070932.db2.gz OSIWRGWRFFYUAE-CQSZACIVSA-N 0 3 340.376 1.786 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000262776164 292087798 /nfs/dbraw/zinc/08/77/98/292087798.db2.gz NQDVOOWFRBNXOF-NEPJUHHUSA-N 0 3 327.406 1.630 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344738720 143005408 /nfs/dbraw/zinc/00/54/08/143005408.db2.gz ZZQDGYXLAGPRQQ-ZDUSSCGKSA-N 0 3 337.424 1.726 20 5 EDBDHN C[C@@H]1[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCN1C ZINC000344989098 143035848 /nfs/dbraw/zinc/03/58/48/143035848.db2.gz VULPHMQLJRGZNF-MLGOLLRUSA-N 0 3 348.403 1.850 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)N(C)C1 ZINC000345144376 143056909 /nfs/dbraw/zinc/05/69/09/143056909.db2.gz ZDNVGKIVLFQANK-CHWSQXEVSA-N 0 3 334.376 1.887 20 5 EDBDHN C[C@@H]1[C@@H](N(C)CCO)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000347185826 143292412 /nfs/dbraw/zinc/29/24/12/143292412.db2.gz YFMJCOPWMAWLBG-BZNIZROVSA-N 0 3 346.387 1.603 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347225844 143297321 /nfs/dbraw/zinc/29/73/21/143297321.db2.gz GTKXKGUCQSRDJO-CQSZACIVSA-N 0 3 340.355 1.702 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)n1 ZINC000357950925 151208000 /nfs/dbraw/zinc/20/80/00/151208000.db2.gz LGJAIUYUKMNQIT-DTORHVGOSA-N 0 3 331.336 1.234 20 5 EDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCN(C2CCOCC2)CC1 ZINC000364595802 153282233 /nfs/dbraw/zinc/28/22/33/153282233.db2.gz QKCSWKGLPDSJNQ-UHFFFAOYSA-N 0 3 347.415 1.851 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2nnc[nH]2)CC1 ZINC000364661813 153297552 /nfs/dbraw/zinc/29/75/52/153297552.db2.gz RYVDZGJPBFXSNX-CYBMUJFWSA-N 0 3 347.375 1.332 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2nc[nH]n2)CC1 ZINC000364661813 153297554 /nfs/dbraw/zinc/29/75/54/153297554.db2.gz RYVDZGJPBFXSNX-CYBMUJFWSA-N 0 3 347.375 1.332 20 5 EDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCN(C)CC1 ZINC000367454473 154129309 /nfs/dbraw/zinc/12/93/09/154129309.db2.gz QJPOSZDUNTXDHR-CQSZACIVSA-N 0 3 346.431 1.835 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408236772 158306817 /nfs/dbraw/zinc/30/68/17/158306817.db2.gz NTRMJRZDRXCPRQ-OLZOCXBDSA-N 0 3 341.433 1.864 20 5 EDBDHN CC(=O)NC[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000067419675 287245696 /nfs/dbraw/zinc/24/56/96/287245696.db2.gz XFVJGJUIMORNDP-CQSZACIVSA-N 0 3 348.403 1.772 20 5 EDBDHN Cc1c(NC(=O)CCNC(C)(C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000074286273 287269335 /nfs/dbraw/zinc/26/93/35/287269335.db2.gz BULGHDCAFZXZMU-UHFFFAOYSA-N 0 3 336.392 1.688 20 5 EDBDHN CC(C)COC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122271232 287378860 /nfs/dbraw/zinc/37/88/60/287378860.db2.gz DQROFYMMYIVOTN-DZGCQCFKSA-N 0 3 338.408 1.510 20 5 EDBDHN Cc1cc(=O)n(C[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000123365426 222264832 /nfs/dbraw/zinc/26/48/32/222264832.db2.gz WMQRWTIBYNANND-INIZCTEOSA-N 0 3 343.383 1.484 20 5 EDBDHN O=C(COc1cc(F)cc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000135350982 287569456 /nfs/dbraw/zinc/56/94/56/287569456.db2.gz ATSVWCWJLFTPQD-UHFFFAOYSA-N 0 3 337.351 1.856 20 5 EDBDHN COCC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000273327253 268025782 /nfs/dbraw/zinc/02/57/82/268025782.db2.gz TUVDUSVDLQAONZ-ZIAGYGMSSA-N 0 3 338.364 1.421 20 5 EDBDHN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCOC1 ZINC000274603770 268166560 /nfs/dbraw/zinc/16/65/60/268166560.db2.gz LUCAWMBHVCCXHQ-ZJUUUORDSA-N 0 3 337.332 1.277 20 5 EDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCN1CC(C)(C)O ZINC000275442833 268343515 /nfs/dbraw/zinc/34/35/15/268343515.db2.gz FXNSOBMDHBAPEF-JTQLQIEISA-N 0 3 335.364 1.412 20 5 EDBDHN C[C@@H]1COCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000277331196 273189424 /nfs/dbraw/zinc/18/94/24/273189424.db2.gz DXBNGOUAJKLABB-ZJUUUORDSA-N 0 3 337.332 1.277 20 5 EDBDHN COC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279113180 273280780 /nfs/dbraw/zinc/28/07/80/273280780.db2.gz SUPVDHLGIYUTPI-ZFWWWQNUSA-N 0 3 337.376 1.707 20 5 EDBDHN COC[C@@H]1C[C@H](OC)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284691565 274296124 /nfs/dbraw/zinc/29/61/24/274296124.db2.gz PZMNQENNOCZZQU-STQMWFEESA-N 0 3 337.376 1.659 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192789989 276093733 /nfs/dbraw/zinc/09/37/33/276093733.db2.gz CBNDILHLRQBIBW-UHFFFAOYSA-N 0 3 335.408 1.167 20 5 EDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192917056 277198319 /nfs/dbraw/zinc/19/83/19/277198319.db2.gz NCGSNNQHLSNXTA-AOOOYVTPSA-N 0 3 345.808 1.430 20 5 EDBDHN CCCN(CCN1CCCCC1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000286346516 287986478 /nfs/dbraw/zinc/98/64/78/287986478.db2.gz WDNQIEOEDUAEOR-UHFFFAOYSA-N 0 3 337.424 1.824 20 5 EDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000286434019 288004978 /nfs/dbraw/zinc/00/49/78/288004978.db2.gz PRUQOHPFOMAKCC-STQMWFEESA-N 0 3 349.391 1.707 20 5 EDBDHN CN1CC[C@]2(CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000291867230 289201385 /nfs/dbraw/zinc/20/13/85/289201385.db2.gz JMYPWILYNYGZPK-HNNXBMFYSA-N 0 3 339.417 1.452 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000189960672 301551340 /nfs/dbraw/zinc/55/13/40/301551340.db2.gz XSTTTZISRFCWKW-ZDUSSCGKSA-N 0 3 341.433 1.926 20 5 EDBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420464685 304761350 /nfs/dbraw/zinc/76/13/50/304761350.db2.gz KLJIPSMEVVSPGR-SSDOTTSWSA-N 0 3 341.311 1.629 20 5 EDBDHN Cc1cc(Cl)c(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000294814511 303148065 /nfs/dbraw/zinc/14/80/65/303148065.db2.gz GFDXVILSXZEEDQ-NSHDSACASA-N 0 3 341.795 1.959 20 5 EDBDHN Cc1ccc(N2CCC(C(=O)NCCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000301808925 303696805 /nfs/dbraw/zinc/69/68/05/303696805.db2.gz GHLCVFPICZGLJM-UHFFFAOYSA-N 0 3 334.420 1.797 20 5 EDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000423991134 304923319 /nfs/dbraw/zinc/92/33/19/304923319.db2.gz LFFDVDKUBPCHSB-PWSUYJOCSA-N 0 3 325.390 1.180 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425536215 304968214 /nfs/dbraw/zinc/96/82/14/304968214.db2.gz GXSYGYSZMKMGKD-AWEZNQCLSA-N 0 3 338.408 1.376 20 5 EDBDHN Cc1cc(OCC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000432197253 305088822 /nfs/dbraw/zinc/08/88/22/305088822.db2.gz XGOITRYCJCSXTF-IUODEOHRSA-N 0 3 333.388 1.881 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000452367799 305393328 /nfs/dbraw/zinc/39/33/28/305393328.db2.gz QFYFCKZBBIREHO-LBPRGKRZSA-N 0 3 325.340 1.311 20 5 EDBDHN CNc1nc(C(=O)N2CCCC23CCN(C)CC3)ccc1[N+](=O)[O-] ZINC000456010336 305449845 /nfs/dbraw/zinc/44/98/45/305449845.db2.gz FYPSVDUGUHNSQN-UHFFFAOYSA-N 0 3 333.392 1.732 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000457202329 305484465 /nfs/dbraw/zinc/48/44/65/305484465.db2.gz GZNMXSCHTMOOMC-UHFFFAOYSA-N 0 3 332.364 1.246 20 5 EDBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000487270897 305547611 /nfs/dbraw/zinc/54/76/11/305547611.db2.gz KLWOXFAGKHJAMN-VXGBXAGGSA-N 0 3 341.433 1.897 20 5 EDBDHN COc1cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000514729793 305703614 /nfs/dbraw/zinc/70/36/14/305703614.db2.gz NHOREOJXFBQZEZ-SNVBAGLBSA-N 0 3 335.360 1.410 20 5 EDBDHN COCc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000521862919 305793832 /nfs/dbraw/zinc/79/38/32/305793832.db2.gz NIFHBQHSIMITEF-CQSZACIVSA-N 0 3 338.339 1.228 20 5 EDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC1(CS(C)(=O)=O)CC1 ZINC000449186382 447365339 /nfs/dbraw/zinc/36/53/39/447365339.db2.gz OYBLXXNMKRDPGV-LBPRGKRZSA-N 0 3 326.418 1.940 20 5 EDBDHN Cn1cc(C(C)(C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000547413038 306100141 /nfs/dbraw/zinc/10/01/41/306100141.db2.gz IBISGBHMCXCDGU-AWEZNQCLSA-N 0 3 334.376 1.593 20 5 EDBDHN O=C(CNCc1ccc([N+](=O)[O-])cc1)NCCN1CCCCCC1 ZINC000552064629 306174799 /nfs/dbraw/zinc/17/47/99/306174799.db2.gz CBMGMNWJUIYUKA-UHFFFAOYSA-N 0 3 334.420 1.677 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080447291 441171571 /nfs/dbraw/zinc/17/15/71/441171571.db2.gz UZHOLVHXRKGFIZ-KGLIPLIRSA-N 0 3 334.420 1.830 20 5 EDBDHN CN(C)CCn1cc(NC(=O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000061635915 441283050 /nfs/dbraw/zinc/28/30/50/441283050.db2.gz LKQPOLXYPSXKRJ-UHFFFAOYSA-N 0 3 333.348 1.370 20 5 EDBDHN CCN1CCC(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000048882749 441335975 /nfs/dbraw/zinc/33/59/75/441335975.db2.gz SNHLEAPTGBQCRN-UHFFFAOYSA-N 0 3 334.376 1.442 20 5 EDBDHN CC(=O)N1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000026339917 441374880 /nfs/dbraw/zinc/37/48/80/441374880.db2.gz SYQWXDSJYZLSTD-UHFFFAOYSA-N 0 3 348.403 1.786 20 5 EDBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085786086 441450133 /nfs/dbraw/zinc/45/01/33/441450133.db2.gz ZDAXSHNTRIIHFM-ZDUSSCGKSA-N 0 3 341.433 1.698 20 5 EDBDHN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108406171 441452833 /nfs/dbraw/zinc/45/28/33/441452833.db2.gz QWZSUTGMTHPJQB-NSHDSACASA-N 0 3 343.405 1.224 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000173749604 441833461 /nfs/dbraw/zinc/83/34/61/441833461.db2.gz KYTOSTMIECYVIU-KGLIPLIRSA-N 0 3 334.420 1.972 20 5 EDBDHN COC1CCN(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000079998356 442105158 /nfs/dbraw/zinc/10/51/58/442105158.db2.gz AQODESFOAJEKRD-UHFFFAOYSA-N 0 3 346.387 1.917 20 5 EDBDHN CCN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1COc2ccccc2O1 ZINC000176193476 442188351 /nfs/dbraw/zinc/18/83/51/442188351.db2.gz IORQVNCZGSVMBN-ZDUSSCGKSA-N 0 3 332.360 1.953 20 5 EDBDHN CCOc1ccc(C(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000152642321 442234012 /nfs/dbraw/zinc/23/40/12/442234012.db2.gz QOEVZVWMMHERNK-OAHLLOKOSA-N 0 3 325.365 1.036 20 5 EDBDHN CCc1n[nH]c(C(=O)NCc2ccccc2CN(C)C)c1[N+](=O)[O-] ZINC000171397940 442345529 /nfs/dbraw/zinc/34/55/29/442345529.db2.gz ICIRJKVJTQJTMZ-UHFFFAOYSA-N 0 3 331.376 1.872 20 5 EDBDHN CCN(CC)CCSc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000172821240 442549525 /nfs/dbraw/zinc/54/95/25/442549525.db2.gz HWWYROZUHKDYQW-UHFFFAOYSA-N 0 3 347.462 1.937 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C2(C[NH3+])CCCC2)c1[N+](=O)[O-] ZINC000193275773 442728653 /nfs/dbraw/zinc/72/86/53/442728653.db2.gz BVQOFJPHFUXUDE-UHFFFAOYSA-N 0 3 327.406 1.761 20 5 EDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182140921 442739123 /nfs/dbraw/zinc/73/91/23/442739123.db2.gz ZDTMIZHSUJPTKY-PWSUYJOCSA-N 0 3 335.360 1.736 20 5 EDBDHN C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CN1CCCC1 ZINC000193957623 442818900 /nfs/dbraw/zinc/81/89/00/442818900.db2.gz PBYVPBWPRVKINE-LBPRGKRZSA-N 0 3 327.406 1.605 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268092831 442844066 /nfs/dbraw/zinc/84/40/66/442844066.db2.gz BIWKYJVUMXXTRC-IUODEOHRSA-N 0 3 332.404 1.919 20 5 EDBDHN COCCN(C)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265847249 442943097 /nfs/dbraw/zinc/94/30/97/442943097.db2.gz WRBWMGPSRMBNGD-UHFFFAOYSA-N 0 3 337.420 1.957 20 5 EDBDHN COc1cc(CN[C@@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1F ZINC000189510619 442970689 /nfs/dbraw/zinc/97/06/89/442970689.db2.gz DKJCSEMZNIXGPF-ZYHUDNBSSA-N 0 3 325.340 1.876 20 5 EDBDHN CN1CCN(CCC(C)(C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184221123 443002555 /nfs/dbraw/zinc/00/25/55/443002555.db2.gz IVXBDOIFKJNMAY-UHFFFAOYSA-N 0 3 348.447 1.670 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000298324351 318809507 /nfs/dbraw/zinc/80/95/07/318809507.db2.gz ZJJSCDZXWWUZJY-LBPRGKRZSA-N 0 3 334.376 1.313 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2cccc(F)c2)C2CC2)c1 ZINC000266626946 443190915 /nfs/dbraw/zinc/19/09/15/443190915.db2.gz URMQPOQMKRDZNH-INIZCTEOSA-N 0 3 334.351 1.956 20 5 EDBDHN CCN1CCN(CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412285782 319229903 /nfs/dbraw/zinc/22/99/03/319229903.db2.gz HATJILWUKCCHGT-DLBZAZTESA-N 0 3 346.431 1.452 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000264305119 443259316 /nfs/dbraw/zinc/25/93/16/443259316.db2.gz RYHODTUZHNMKHQ-UHFFFAOYSA-N 0 3 345.403 1.897 20 5 EDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000272493954 443338786 /nfs/dbraw/zinc/33/87/86/443338786.db2.gz SAQPAFRSJUWJTM-UHFFFAOYSA-N 0 3 348.403 1.552 20 5 EDBDHN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1CC(C)(C)O ZINC000278508061 443350101 /nfs/dbraw/zinc/35/01/01/443350101.db2.gz RCANITHBEQMAEL-LLVKDONJSA-N 0 3 333.392 1.753 20 5 EDBDHN COc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267151108 443358931 /nfs/dbraw/zinc/35/89/31/443358931.db2.gz WTVPHEZLOHJUQL-OAHLLOKOSA-N 0 3 339.417 1.771 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000269606332 443361730 /nfs/dbraw/zinc/36/17/30/443361730.db2.gz QDOGCSDOKZZQDI-CYBMUJFWSA-N 0 3 346.387 1.653 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272430542 443623467 /nfs/dbraw/zinc/62/34/67/443623467.db2.gz YWIDTHLXTLGCLG-PRHODGIISA-N 0 3 347.400 1.812 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H](O)CN1CCOCC1 ZINC000272339045 443596520 /nfs/dbraw/zinc/59/65/20/443596520.db2.gz OFOVJKSETLHMMO-GDBMZVCRSA-N 0 3 337.420 1.589 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H](O)CN1CCOCC1 ZINC000272339048 443596655 /nfs/dbraw/zinc/59/66/55/443596655.db2.gz OFOVJKSETLHMMO-HOCLYGCPSA-N 0 3 337.420 1.589 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCN2CCC(O)CC2)n1 ZINC000286204094 443667788 /nfs/dbraw/zinc/66/77/88/443667788.db2.gz FVRWYVKGEUQEAS-UHFFFAOYSA-N 0 3 338.364 1.035 20 5 EDBDHN CN1CC[C@](O)(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000450628784 320221370 /nfs/dbraw/zinc/22/13/70/320221370.db2.gz WRWRGTNJLPPJKV-ZDUSSCGKSA-N 0 3 347.293 1.410 20 5 EDBDHN CN(C)CCOCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487209597 320356588 /nfs/dbraw/zinc/35/65/88/320356588.db2.gz KMHHDEPQWWDURU-UHFFFAOYSA-N 0 3 331.319 1.110 20 5 EDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)CNCCO2 ZINC000291050543 443741043 /nfs/dbraw/zinc/74/10/43/443741043.db2.gz JQPLFGSNFKDOER-UHFFFAOYSA-N 0 3 331.332 1.302 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@@]3(CCN(C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000292639594 443805388 /nfs/dbraw/zinc/80/53/88/443805388.db2.gz WQDZEXCUTMLDCI-MRXNPFEDSA-N 0 3 335.408 1.352 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])CCN1C(=O)NC(C)(C)C1=O ZINC000285173144 443882603 /nfs/dbraw/zinc/88/26/03/443882603.db2.gz BFVRIWDBTIEKMJ-UHFFFAOYSA-N 0 3 334.376 1.400 20 5 EDBDHN Cc1c(CC(=O)N[C@H](CO)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000288547912 443915151 /nfs/dbraw/zinc/91/51/51/443915151.db2.gz PIJSXOPLKDKMIG-HNNXBMFYSA-N 0 3 335.404 1.409 20 5 EDBDHN COC[C@H](C)OC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285412801 443975665 /nfs/dbraw/zinc/97/56/65/443975665.db2.gz UYUADMOIIAECAI-DZGCQCFKSA-N 0 3 326.393 1.482 20 5 EDBDHN CN1CC[C@@]2(CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C2)C1 ZINC000293638493 444077092 /nfs/dbraw/zinc/07/70/92/444077092.db2.gz FZXDPDWMLKPHDL-OAHLLOKOSA-N 0 3 347.400 1.767 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000294901166 444156906 /nfs/dbraw/zinc/15/69/06/444156906.db2.gz DVXUTKPNSMPWKO-UHFFFAOYSA-N 0 3 338.383 1.966 20 5 EDBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285848181 444127760 /nfs/dbraw/zinc/12/77/60/444127760.db2.gz PUZSVMJBTYBDRE-UHFFFAOYSA-N 0 3 330.348 1.359 20 5 EDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(CCCO)C1 ZINC000295512002 444187404 /nfs/dbraw/zinc/18/74/04/444187404.db2.gz QASFQNVWOZSQFP-OAHLLOKOSA-N 0 3 335.404 1.490 20 5 EDBDHN C[C@@]1(C[C@H]2CCCN2Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289709510 444193615 /nfs/dbraw/zinc/19/36/15/444193615.db2.gz OVEHYXADYRXXJH-WBMJQRKESA-N 0 3 332.360 1.547 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000304311833 444245980 /nfs/dbraw/zinc/24/59/80/444245980.db2.gz MFWTXZKTGMGKHU-GDBMZVCRSA-N 0 3 331.376 1.339 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000290712359 444314047 /nfs/dbraw/zinc/31/40/47/444314047.db2.gz GUBYCZRMZNPRMU-LLVKDONJSA-N 0 3 348.403 1.695 20 5 EDBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000340629119 444464462 /nfs/dbraw/zinc/46/44/62/444464462.db2.gz FZZHETBHAZAEGJ-HNNXBMFYSA-N 0 3 332.360 1.964 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000580155572 322014850 /nfs/dbraw/zinc/01/48/50/322014850.db2.gz SRAINANTCJBKAP-ZDUSSCGKSA-N 0 3 343.387 1.852 20 5 EDBDHN CC(C)[C@@H](O)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580646650 322077819 /nfs/dbraw/zinc/07/78/19/322077819.db2.gz JKPIJLYOOQDSPK-AWEZNQCLSA-N 0 3 330.406 1.365 20 5 EDBDHN CN1CC[C@@H]2OCCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000580765191 322092357 /nfs/dbraw/zinc/09/23/57/322092357.db2.gz UYNKQUWGKZBMEZ-CABCVRRESA-N 0 3 331.376 1.376 20 5 EDBDHN Cn1ncc2c1CCC[C@H]2NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581186288 322146307 /nfs/dbraw/zinc/14/63/07/322146307.db2.gz PKNDOPCXFPVCGX-CZUORRHYSA-N 0 3 346.387 1.735 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000340877818 444554739 /nfs/dbraw/zinc/55/47/39/444554739.db2.gz CVRIMRCYBBFKRT-DGCLKSJQSA-N 0 3 327.406 1.474 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)c2ncnc3cccc([N+](=O)[O-])c32)N(C)C1 ZINC000343884091 444645286 /nfs/dbraw/zinc/64/52/86/444645286.db2.gz CGFMRCMBZMUAPB-RYUDHWBXSA-N 0 3 331.376 1.693 20 5 EDBDHN NC(=O)[C@@H](Cc1ccc(F)cc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000342422111 444685656 /nfs/dbraw/zinc/68/56/56/444685656.db2.gz SINAUNSNAGSZKH-MRXNPFEDSA-N 0 3 346.362 1.832 20 5 EDBDHN CN(C(=O)CN[C@@H]1CCC(=O)NC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000338592565 444762200 /nfs/dbraw/zinc/76/22/00/444762200.db2.gz NONSNAIBDWJBCS-CYBMUJFWSA-N 0 3 334.376 1.204 20 5 EDBDHN C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000338663809 444798669 /nfs/dbraw/zinc/79/86/69/444798669.db2.gz BTXVIPSHPYGGNB-OLZOCXBDSA-N 0 3 337.424 1.906 20 5 EDBDHN CN(C)CCN1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342933576 444951011 /nfs/dbraw/zinc/95/10/11/444951011.db2.gz ZOPFWGQPFVBFDB-UHFFFAOYSA-N 0 3 345.403 1.396 20 5 EDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000343285252 445179026 /nfs/dbraw/zinc/17/90/26/445179026.db2.gz VZNWEZDPWSUEIJ-UHFFFAOYSA-N 0 3 347.375 2.004 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCCN1C ZINC000343561618 445244432 /nfs/dbraw/zinc/24/44/32/445244432.db2.gz QHIJLJZDTIKIFY-PWSUYJOCSA-N 0 3 348.359 1.102 20 5 EDBDHN CCCN1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000343562153 445244442 /nfs/dbraw/zinc/24/44/42/445244442.db2.gz YEAHLFWDOVQEOF-GFCCVEGCSA-N 0 3 349.387 1.970 20 5 EDBDHN CCCN1CCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000343569008 445245868 /nfs/dbraw/zinc/24/58/68/445245868.db2.gz LOMFALPVCLOWBD-GFCCVEGCSA-N 0 3 335.360 1.928 20 5 EDBDHN CCC(=O)N[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000354679965 445337788 /nfs/dbraw/zinc/33/77/88/445337788.db2.gz WUCWSJGYIYNBBN-CQSZACIVSA-N 0 3 348.403 1.914 20 5 EDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000360007065 445524184 /nfs/dbraw/zinc/52/41/84/445524184.db2.gz NNJNPRMXXAMRKA-GFCCVEGCSA-N 0 3 329.422 1.912 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CCN(C2CC2)CC1 ZINC000357322817 445547328 /nfs/dbraw/zinc/54/73/28/445547328.db2.gz JFQXIDPBHYAIGJ-UHFFFAOYSA-N 0 3 349.387 1.725 20 5 EDBDHN CC[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1C[C@H](C)O ZINC000357324750 445549486 /nfs/dbraw/zinc/54/94/86/445549486.db2.gz RQGGXXUYMDKFMH-QWHCGFSZSA-N 0 3 345.403 1.819 20 5 EDBDHN C[C@H]1[C@H](N(C)CCO)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000356076756 445606133 /nfs/dbraw/zinc/60/61/33/445606133.db2.gz JYHQMUCALMSYHS-XJKSGUPXSA-N 0 3 335.404 1.441 20 5 EDBDHN Cc1c(C(=O)N2CCCN(CCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000362944468 445621375 /nfs/dbraw/zinc/62/13/75/445621375.db2.gz FGWRUIWFLQSLBQ-UHFFFAOYSA-N 0 3 334.420 1.613 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358701651 445727035 /nfs/dbraw/zinc/72/70/35/445727035.db2.gz HMYCLRYRQZQHLZ-MLGOLLRUSA-N 0 3 336.392 1.330 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358701652 445727222 /nfs/dbraw/zinc/72/72/22/445727222.db2.gz HMYCLRYRQZQHLZ-WBMJQRKESA-N 0 3 336.392 1.330 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](Oc3ccccc3)C2)c1 ZINC000363284164 445752280 /nfs/dbraw/zinc/75/22/80/445752280.db2.gz HVWHAMDKUOBUFQ-ZBFHGGJFSA-N 0 3 332.360 1.306 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000353786687 445755718 /nfs/dbraw/zinc/75/57/18/445755718.db2.gz IGPUKGZXWKBXJZ-MRXNPFEDSA-N 0 3 338.360 1.397 20 5 EDBDHN CN(CCCN1CCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000350262736 445803018 /nfs/dbraw/zinc/80/30/18/445803018.db2.gz HYERLAYWLNSASY-UHFFFAOYSA-N 0 3 341.433 1.842 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CCCCNC1=O ZINC000364114505 445896333 /nfs/dbraw/zinc/89/63/33/445896333.db2.gz LOSSBBGEWZUCDM-HNNXBMFYSA-N 0 3 348.403 1.832 20 5 EDBDHN CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000373099805 446027092 /nfs/dbraw/zinc/02/70/92/446027092.db2.gz PAUWRPYNOUFQCA-RHSMWYFYSA-N 0 3 343.387 1.525 20 5 EDBDHN CC(C)(C)OC[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365513042 446236962 /nfs/dbraw/zinc/23/69/62/446236962.db2.gz NQEFUQPBGREBPI-ZDUSSCGKSA-N 0 3 326.397 1.604 20 5 EDBDHN CCc1ccc([C@H](CO)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000359538348 446280526 /nfs/dbraw/zinc/28/05/26/446280526.db2.gz MTNGNXQPYYYHIN-CVEARBPZSA-N 0 3 334.376 1.038 20 5 EDBDHN Cc1nnc([C@@H]2CC23CCN(CCn2ccc([N+](=O)[O-])n2)CC3)o1 ZINC000365840299 446365900 /nfs/dbraw/zinc/36/59/00/446365900.db2.gz MJYJFZBYISUCAI-LBPRGKRZSA-N 0 3 332.364 1.752 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC([C@@H]2CCCOC2)CC1 ZINC000374848249 446416860 /nfs/dbraw/zinc/41/68/60/446416860.db2.gz VHJBFOYYLLTBIO-OAHLLOKOSA-N 0 3 335.404 1.895 20 5 EDBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CCN(CC2CCOCC2)CC1 ZINC000420603307 446698520 /nfs/dbraw/zinc/69/85/20/446698520.db2.gz PRVCZCUJEIKTNG-UHFFFAOYSA-N 0 3 348.403 1.242 20 5 EDBDHN COc1cc(CN[C@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])cc1OC ZINC000368230262 446724761 /nfs/dbraw/zinc/72/47/61/446724761.db2.gz WEUGTCSOVAFTQP-NSHDSACASA-N 0 3 332.360 1.982 20 5 EDBDHN COc1cc(CN[C@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])cc1OC ZINC000368230262 446724767 /nfs/dbraw/zinc/72/47/67/446724767.db2.gz WEUGTCSOVAFTQP-NSHDSACASA-N 0 3 332.360 1.982 20 5 EDBDHN Cc1nc([C@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412027001 446790391 /nfs/dbraw/zinc/79/03/91/446790391.db2.gz LBNBKSALWULPKR-GXTWGEPZSA-N 0 3 347.375 1.251 20 5 EDBDHN Cc1n[nH]c([C@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412027001 446790398 /nfs/dbraw/zinc/79/03/98/446790398.db2.gz LBNBKSALWULPKR-GXTWGEPZSA-N 0 3 347.375 1.251 20 5 EDBDHN Cc1nnc([C@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412027001 446790406 /nfs/dbraw/zinc/79/04/06/446790406.db2.gz LBNBKSALWULPKR-GXTWGEPZSA-N 0 3 347.375 1.251 20 5 EDBDHN CCc1ccccc1[C@H](N)CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000423979060 446804111 /nfs/dbraw/zinc/80/41/11/446804111.db2.gz OYVHQZDKKUHYEK-CYBMUJFWSA-N 0 3 331.376 1.629 20 5 EDBDHN Cc1c(NC(=O)C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000371507877 446902663 /nfs/dbraw/zinc/90/26/63/446902663.db2.gz DVZDFKJRCPBFQS-SWLSCSKDSA-N 0 3 346.387 1.394 20 5 EDBDHN C[C@@H]1C[C@@H](CO)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000420948023 446919890 /nfs/dbraw/zinc/91/98/90/446919890.db2.gz ULZHOSBJUHOALF-CHWSQXEVSA-N 0 3 349.387 1.843 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@](O)(Cc3ccc(F)cc3)C2)n1 ZINC000420973773 446946048 /nfs/dbraw/zinc/94/60/48/446946048.db2.gz CTOJMIGGSOLYGE-MRXNPFEDSA-N 0 3 334.351 1.610 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000368595586 446968182 /nfs/dbraw/zinc/96/81/82/446968182.db2.gz SWSIEKVZBUOEKH-XHDPSFHLSA-N 0 3 337.351 1.665 20 5 EDBDHN O=C(CCN1CC[C@@H](n2cncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000372466731 447067792 /nfs/dbraw/zinc/06/77/92/447067792.db2.gz WYXPFGUTJDQVPJ-GFCCVEGCSA-N 0 3 330.348 1.462 20 5 EDBDHN CS[C@H]1CC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000425356553 447124763 /nfs/dbraw/zinc/12/47/63/447124763.db2.gz PMOIMDVJSBFKNL-STQMWFEESA-N 0 3 345.446 1.357 20 5 EDBDHN COc1cc(CN2CCN(CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000444675540 447118778 /nfs/dbraw/zinc/11/87/78/447118778.db2.gz RNXNZXHPESCKQB-ZDUSSCGKSA-N 0 3 337.420 1.880 20 5 EDBDHN CN1CCC[C@@]2(CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1=O ZINC000372493753 447086963 /nfs/dbraw/zinc/08/69/63/447086963.db2.gz IJUQLAPPRKQUMW-RDJZCZTQSA-N 0 3 333.388 1.573 20 5 EDBDHN COc1cc(CN[C@@H]2CCc3nnnn3CC2)c([N+](=O)[O-])cc1OC ZINC000421397688 447150689 /nfs/dbraw/zinc/15/06/89/447150689.db2.gz MMSLMOIVYGJQSA-LLVKDONJSA-N 0 3 348.363 1.093 20 5 EDBDHN CC(C)(O)CN1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000372542849 447126038 /nfs/dbraw/zinc/12/60/38/447126038.db2.gz CHZLSEVXWFLDSS-UHFFFAOYSA-N 0 3 339.367 1.653 20 5 EDBDHN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCN(c2ccncc2)CC1 ZINC000368931724 447209869 /nfs/dbraw/zinc/20/98/69/447209869.db2.gz PEHJXDGHOIOEMA-UHFFFAOYSA-N 0 3 344.375 1.314 20 5 EDBDHN CN1CCC(CCO)(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413672459 447221848 /nfs/dbraw/zinc/22/18/48/447221848.db2.gz AFTBXXMRBAAMFS-JKSUJKDBSA-N 0 3 347.415 1.661 20 5 EDBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455842797 447240119 /nfs/dbraw/zinc/24/01/19/447240119.db2.gz JZBWQCFDKZLIPR-NEPJUHHUSA-N 0 3 333.392 1.730 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000457207188 447541814 /nfs/dbraw/zinc/54/18/14/447541814.db2.gz BDJDLABJLPJUCQ-UHFFFAOYSA-N 0 3 331.376 1.851 20 5 EDBDHN CC(COC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496667453 447844702 /nfs/dbraw/zinc/84/47/02/447844702.db2.gz KWGRCGKLBOMZFW-MNOVXSKESA-N 0 3 332.353 1.221 20 5 EDBDHN CC(=O)N1CCN(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000569826275 447901969 /nfs/dbraw/zinc/90/19/69/447901969.db2.gz YXUXHLGNVRQOBD-INIZCTEOSA-N 0 3 332.404 1.336 20 5 EDBDHN CNc1nccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000569865996 447908183 /nfs/dbraw/zinc/90/81/83/447908183.db2.gz YWOUYXUPUCICKZ-SGMGOOAPSA-N 0 3 347.419 1.834 20 5 EDBDHN CN(CCCN1CCN(C)CC1)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000575863913 447915106 /nfs/dbraw/zinc/91/51/06/447915106.db2.gz NXNOONIAKNOHMN-UHFFFAOYSA-N 0 3 347.463 1.942 20 5 EDBDHN CCCN(CCN1CCCC1)C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000571579917 448174559 /nfs/dbraw/zinc/17/45/59/448174559.db2.gz LXGCIPUOUGNZRI-UHFFFAOYSA-N 0 3 335.408 1.980 20 5 EDBDHN Cc1oc2ccccc2c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516646895 448455209 /nfs/dbraw/zinc/45/52/09/448455209.db2.gz ZGSSPZLEKXZGME-ZDUSSCGKSA-N 0 3 330.344 1.997 20 5 EDBDHN CC(C)Oc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591727548 448473511 /nfs/dbraw/zinc/47/35/11/448473511.db2.gz INBBBOHMDBVMDH-HNNXBMFYSA-N 0 3 334.376 1.729 20 5 EDBDHN CC(C)N1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000573069504 448533894 /nfs/dbraw/zinc/53/38/94/448533894.db2.gz XLTOMOUENAXJFJ-CYBMUJFWSA-N 0 3 337.399 1.734 20 5 EDBDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000584791671 448634855 /nfs/dbraw/zinc/63/48/55/448634855.db2.gz DVIBRADBMLRVRO-ZDUSSCGKSA-N 0 3 329.360 1.570 20 5 EDBDHN COc1cc(C(=O)NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1F ZINC000573891164 448736730 /nfs/dbraw/zinc/73/67/30/448736730.db2.gz BJEWHIIEOAKFND-JTQLQIEISA-N 0 3 325.340 1.814 20 5 EDBDHN O=C([C@@H]1CNCCC1(F)F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592562162 448901448 /nfs/dbraw/zinc/90/14/48/448901448.db2.gz FNTAUHMTVXGBNU-NSHDSACASA-N 0 3 326.303 1.119 20 5 EDBDHN Cc1c(CNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000569232395 448985748 /nfs/dbraw/zinc/98/57/48/448985748.db2.gz WGNQWYWPEZXQDP-ZENOOKHLSA-N 0 3 337.420 1.463 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592898633 449042922 /nfs/dbraw/zinc/04/29/22/449042922.db2.gz KSTUEWFXALJVHA-UHFFFAOYSA-N 0 3 347.415 1.851 20 5 EDBDHN C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000597942997 449152595 /nfs/dbraw/zinc/15/25/95/449152595.db2.gz SFGKFNRJQXCXCE-LBPRGKRZSA-N 0 3 338.408 1.302 20 5 EDBDHN C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000597942997 449152597 /nfs/dbraw/zinc/15/25/97/449152597.db2.gz SFGKFNRJQXCXCE-LBPRGKRZSA-N 0 3 338.408 1.302 20 5 EDBDHN CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597944045 449153607 /nfs/dbraw/zinc/15/36/07/449153607.db2.gz BWOFTNAQDCOQPU-CYBMUJFWSA-N 0 3 344.375 1.342 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593182264 449161177 /nfs/dbraw/zinc/16/11/77/449161177.db2.gz FDEQYMCPCQZRER-UHFFFAOYSA-N 0 3 349.391 1.141 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000590447617 449168489 /nfs/dbraw/zinc/16/84/89/449168489.db2.gz ZLQWVRMNQPXSLQ-BMIGLBTASA-N 0 3 342.355 1.625 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1COCCO1 ZINC000595738086 449140394 /nfs/dbraw/zinc/14/03/94/449140394.db2.gz VZGCHRAWIOMRAI-CQSZACIVSA-N 0 3 337.376 1.579 20 5 EDBDHN COc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000590587982 449203439 /nfs/dbraw/zinc/20/34/39/449203439.db2.gz DMHYAWFXCIVPCB-PWSUYJOCSA-N 0 3 343.405 1.317 20 5 EDBDHN COc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590590195 449205677 /nfs/dbraw/zinc/20/56/77/449205677.db2.gz VPCNBEKYMIDGQS-CMPLNLGQSA-N 0 3 343.405 1.317 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@]12CCNC2=O ZINC000593998306 449317711 /nfs/dbraw/zinc/31/77/11/449317711.db2.gz GCDFUKFSHWDGCD-KRWDZBQOSA-N 0 3 346.387 1.586 20 5 EDBDHN CN(CCN1CCCCC1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000593517407 449321455 /nfs/dbraw/zinc/32/14/55/449321455.db2.gz TVDSSYVTADKPGC-UHFFFAOYSA-N 0 3 342.421 1.164 20 5 EDBDHN CC[C@H](C(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000600540244 449433141 /nfs/dbraw/zinc/43/31/41/449433141.db2.gz FYGHEVHXXUCQIP-CZUORRHYSA-N 0 3 337.376 1.439 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N[C@H](CN)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594451434 449525997 /nfs/dbraw/zinc/52/59/97/449525997.db2.gz ZBUKHACUJFRHEH-SNVBAGLBSA-N 0 3 349.265 1.391 20 5 EDBDHN NC(=O)CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000612069245 449551513 /nfs/dbraw/zinc/55/15/13/449551513.db2.gz CYEFBFJHQKUJHG-CYBMUJFWSA-N 0 3 337.376 1.064 20 5 EDBDHN Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2N(C)C)c(C)c1[N+](=O)[O-] ZINC000598736170 449570980 /nfs/dbraw/zinc/57/09/80/449570980.db2.gz UYYNVWRBDAQYPK-STQMWFEESA-N 0 3 341.433 1.973 20 5 EDBDHN CO[C@@](C)(CO)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594509708 449558389 /nfs/dbraw/zinc/55/83/89/449558389.db2.gz LDDBTUDHHFIVDM-MRXNPFEDSA-N 0 3 334.376 1.482 20 5 EDBDHN CN1CCN(C)[C@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602547726 449666946 /nfs/dbraw/zinc/66/69/46/449666946.db2.gz ZTABYRFYMBCTEK-CYBMUJFWSA-N 0 3 346.353 1.949 20 5 EDBDHN Cc1cc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n(C)n1 ZINC000602652717 449731021 /nfs/dbraw/zinc/73/10/21/449731021.db2.gz JRLAZUQUBYZPKX-UHFFFAOYSA-N 0 3 330.392 1.790 20 5 EDBDHN COCCN(C)CCN1C[C@H](Nc2ccsc2[N+](=O)[O-])CC1=O ZINC000601177978 449735868 /nfs/dbraw/zinc/73/58/68/449735868.db2.gz GSRIOKSNSXFJJQ-LLVKDONJSA-N 0 3 342.421 1.247 20 5 EDBDHN C[C@H](CCCCO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612574221 449780543 /nfs/dbraw/zinc/78/05/43/449780543.db2.gz GZHQQTSJTJHNKQ-GFCCVEGCSA-N 0 3 330.406 1.509 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000595121719 449882590 /nfs/dbraw/zinc/88/25/90/449882590.db2.gz FVZSEEJXNZUJEN-GHMZBOCLSA-N 0 3 331.369 1.271 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)c([N+](=O)[O-])s1 ZINC000601369462 449884321 /nfs/dbraw/zinc/88/43/21/449884321.db2.gz NREUVSYJORBAFF-WCBMZHEXSA-N 0 3 333.435 1.535 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(CCO)(CCO)CC1 ZINC000602966575 449968348 /nfs/dbraw/zinc/96/83/48/449968348.db2.gz KEFQHXUJGCVFMR-UHFFFAOYSA-N 0 3 338.404 1.821 20 5 EDBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCN(c2ccncc2)CC1 ZINC000603084597 450056085 /nfs/dbraw/zinc/05/60/85/450056085.db2.gz UXQZWSYYEACVKE-UHFFFAOYSA-N 0 3 327.344 1.737 20 5 EDBDHN CO[C@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@H]1CCOC1 ZINC000595371010 450084717 /nfs/dbraw/zinc/08/47/17/450084717.db2.gz MYDPVPKBMCAANC-GZBFAFLISA-N 0 3 336.392 1.528 20 5 EDBDHN C[C@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610259520 450171425 /nfs/dbraw/zinc/17/14/25/450171425.db2.gz IXQWEQNUKPEKRE-LBPRGKRZSA-N 0 3 342.421 1.533 20 5 EDBDHN C[C@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610259520 450171430 /nfs/dbraw/zinc/17/14/30/450171430.db2.gz IXQWEQNUKPEKRE-LBPRGKRZSA-N 0 3 342.421 1.533 20 5 EDBDHN C[C@](CO)(NC(=O)[C@@H](C1CC1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601779387 450234600 /nfs/dbraw/zinc/23/46/00/450234600.db2.gz QYDOCNYGYDVVMK-SJLPKXTDSA-N 0 3 347.415 1.793 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)c2ccccc2O1 ZINC000610761884 450326207 /nfs/dbraw/zinc/32/62/07/450326207.db2.gz KKOUMVSNIOXQBB-ZDUSSCGKSA-N 0 3 344.371 1.903 20 5 EDBDHN CC(C)N(CCC(=O)N1CCNCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000262045290 535049659 /nfs/dbraw/zinc/04/96/59/535049659.db2.gz HXLQXHRSAYNRJT-UHFFFAOYSA-N 0 3 334.420 1.627 20 5 EDBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000353387285 536434618 /nfs/dbraw/zinc/43/46/18/536434618.db2.gz OCPXSIBSVOLCJG-AWEZNQCLSA-N 0 3 343.387 1.912 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000353208103 536476840 /nfs/dbraw/zinc/47/68/40/536476840.db2.gz JSLUTDXLKFXFOL-BZNIZROVSA-N 0 3 338.360 1.804 20 5 EDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000741579885 579421191 /nfs/dbraw/zinc/42/11/91/579421191.db2.gz QZUZAEOAKWDHIC-SWLSCSKDSA-N 0 3 345.403 1.743 20 5 EDBDHN Cc1nn(CCC(=O)N[C@@H](CN(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000726628738 578352283 /nfs/dbraw/zinc/35/22/83/578352283.db2.gz LWNBATVMFPSZEL-ZDUSSCGKSA-N 0 3 325.413 1.501 20 5 EDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729502353 578578159 /nfs/dbraw/zinc/57/81/59/578578159.db2.gz SMNNIQUPEYYOMX-GJZGRUSLSA-N 0 3 348.403 1.599 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000731024890 578666071 /nfs/dbraw/zinc/66/60/71/578666071.db2.gz KFUISGPYMSUPGZ-LBPRGKRZSA-N 0 3 331.376 1.403 20 5 EDBDHN CNC(=O)C1(NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000733896363 578789209 /nfs/dbraw/zinc/78/92/09/578789209.db2.gz WRTRZQUGUMUACM-UHFFFAOYSA-N 0 3 348.403 1.880 20 5 EDBDHN CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736481551 578993095 /nfs/dbraw/zinc/99/30/95/578993095.db2.gz WJALNRYMXDMUEH-SNVBAGLBSA-N 0 3 332.368 1.314 20 5 EDBDHN CCC[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736481551 578993096 /nfs/dbraw/zinc/99/30/96/578993096.db2.gz WJALNRYMXDMUEH-SNVBAGLBSA-N 0 3 332.368 1.314 20 5 EDBDHN CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736481551 578993097 /nfs/dbraw/zinc/99/30/97/578993097.db2.gz WJALNRYMXDMUEH-SNVBAGLBSA-N 0 3 332.368 1.314 20 5 EDBDHN CCC[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736481551 578993098 /nfs/dbraw/zinc/99/30/98/578993098.db2.gz WJALNRYMXDMUEH-SNVBAGLBSA-N 0 3 332.368 1.314 20 5 EDBDHN COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737005445 579039770 /nfs/dbraw/zinc/03/97/70/579039770.db2.gz SBZMFRPFJZWPTH-GFCCVEGCSA-N 0 3 347.379 1.298 20 5 EDBDHN COCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737005445 579039771 /nfs/dbraw/zinc/03/97/71/579039771.db2.gz SBZMFRPFJZWPTH-GFCCVEGCSA-N 0 3 347.379 1.298 20 5 EDBDHN COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737005445 579039772 /nfs/dbraw/zinc/03/97/72/579039772.db2.gz SBZMFRPFJZWPTH-GFCCVEGCSA-N 0 3 347.379 1.298 20 5 EDBDHN COCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737005445 579039773 /nfs/dbraw/zinc/03/97/73/579039773.db2.gz SBZMFRPFJZWPTH-GFCCVEGCSA-N 0 3 347.379 1.298 20 5 EDBDHN Cc1nn(CCC(=O)N2CCC23CCN(C)CC3)c(C)c1[N+](=O)[O-] ZINC000742184567 579101161 /nfs/dbraw/zinc/10/11/61/579101161.db2.gz XKPONEMZCGRABK-UHFFFAOYSA-N 0 3 335.408 1.495 20 5 EDBDHN COC(=O)C[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754535522 579905743 /nfs/dbraw/zinc/90/57/43/579905743.db2.gz HJUDGSXHZZVVSH-HZMBPMFUSA-N 0 3 335.360 1.853 20 5 EDBDHN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000781609936 580553278 /nfs/dbraw/zinc/55/32/78/580553278.db2.gz HILUSELXTTYYOL-GFCCVEGCSA-N 0 3 348.359 1.789 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000897222535 591776261 /nfs/dbraw/zinc/77/62/61/591776261.db2.gz VOKKBXRMNWUTDL-UONOGXRCSA-N 0 3 349.387 1.417 20 5 EDBDHN CNCCN(C(C)C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000903591135 592235397 /nfs/dbraw/zinc/23/53/97/592235397.db2.gz IAFJKLQPHNCKNJ-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN COc1ccc(C(=O)N2CCC(NCC[N+](=O)[O-])CC2)cc1OC ZINC000905127428 592428308 /nfs/dbraw/zinc/42/83/08/592428308.db2.gz LGUHNGPGTCQMQE-UHFFFAOYSA-N 0 3 337.376 1.175 20 5 EDBDHN CCN1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910295560 592833423 /nfs/dbraw/zinc/83/34/23/592833423.db2.gz NIXBWKJIYMMEJC-ZDUSSCGKSA-N 0 3 348.403 1.267 20 5 EDBDHN CN(CCO)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000912598069 593107273 /nfs/dbraw/zinc/10/72/73/593107273.db2.gz CGVGYSHHDZVCMD-UHFFFAOYSA-N 0 3 349.309 1.610 20 5 EDBDHN O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@@H](N2CC=CC2)C1 ZINC000794635991 593184088 /nfs/dbraw/zinc/18/40/88/593184088.db2.gz ZKGMTPLQVFFDNA-GFCCVEGCSA-N 0 3 330.344 1.406 20 5 EDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000839606637 593348525 /nfs/dbraw/zinc/34/85/25/593348525.db2.gz QXDRMJSJPOYAMX-VVLHAWIVSA-N 0 3 345.399 1.678 20 5 EDBDHN CN1CCN(CCCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804349477 593407516 /nfs/dbraw/zinc/40/75/16/593407516.db2.gz IVRWRALSKJVONS-UHFFFAOYSA-N 0 3 337.380 1.943 20 5 EDBDHN CSCC[C@@H](NC(=O)c1ccco1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111528 593518550 /nfs/dbraw/zinc/51/85/50/593518550.db2.gz UHVFPSRICUWMSO-VHSXEESVSA-N 0 3 330.362 1.340 20 5 EDBDHN CCN1CC[C@H]2OCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000815138502 593617870 /nfs/dbraw/zinc/61/78/70/593617870.db2.gz URNNWUXLOMMGIO-GVDBMIGSSA-N 0 3 335.404 1.423 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000818986187 593732366 /nfs/dbraw/zinc/73/23/66/593732366.db2.gz HPZSOZZXOOIXLT-WCQYABFASA-N 0 3 333.310 1.854 20 5 EDBDHN C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000820656577 593854841 /nfs/dbraw/zinc/85/48/41/593854841.db2.gz GPAKISBBVPGWHO-WDEREUQCSA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000820656577 593854844 /nfs/dbraw/zinc/85/48/44/593854844.db2.gz GPAKISBBVPGWHO-WDEREUQCSA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000820656577 593854847 /nfs/dbraw/zinc/85/48/47/593854847.db2.gz GPAKISBBVPGWHO-WDEREUQCSA-N 0 3 331.380 1.694 20 5 EDBDHN C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000820656577 593854849 /nfs/dbraw/zinc/85/48/49/593854849.db2.gz GPAKISBBVPGWHO-WDEREUQCSA-N 0 3 331.380 1.694 20 5 EDBDHN CS[C@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000823968557 593896798 /nfs/dbraw/zinc/89/67/98/593896798.db2.gz WGCOATOELQNIBI-STQMWFEESA-N 0 3 339.421 1.686 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823310424 594183781 /nfs/dbraw/zinc/18/37/81/594183781.db2.gz MSRLTVSCFJZLNW-CQSZACIVSA-N 0 3 328.457 1.212 20 5 EDBDHN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000825763674 594240797 /nfs/dbraw/zinc/24/07/97/594240797.db2.gz ATQFHOZWYWIWLO-HOTGVXAUSA-N 0 3 333.388 1.715 20 5 EDBDHN CS[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000828372713 594404056 /nfs/dbraw/zinc/40/40/56/594404056.db2.gz LBBHRDFKNHQCID-STQMWFEESA-N 0 3 329.466 1.860 20 5 EDBDHN CN1CCN(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000827473704 594675531 /nfs/dbraw/zinc/67/55/31/594675531.db2.gz LLVGGMFBNNTKCQ-UHFFFAOYSA-N 0 3 346.431 1.376 20 5 EDBDHN CCO[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])CN(C)C ZINC000831725259 594696644 /nfs/dbraw/zinc/69/66/44/594696644.db2.gz XDSUDEYNKQQTFZ-LLVKDONJSA-N 0 3 325.365 1.300 20 5 EDBDHN Cc1c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000834310398 595090183 /nfs/dbraw/zinc/09/01/83/595090183.db2.gz KZMOCZLBUAWKKB-RISCZKNCSA-N 0 3 348.359 1.896 20 5 EDBDHN O=C(CCN1CCNC[C@H]1C(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC000843385738 595096333 /nfs/dbraw/zinc/09/63/33/595096333.db2.gz QJBRSFPKFNVOHY-LBPRGKRZSA-N 0 3 346.309 1.601 20 5 EDBDHN O=C(CN1CCNC[C@@H]1C(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843386211 595096364 /nfs/dbraw/zinc/09/63/64/595096364.db2.gz WVLYNUHUNUGKJS-LLVKDONJSA-N 0 3 348.737 1.726 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842916757 595234305 /nfs/dbraw/zinc/23/43/05/595234305.db2.gz ZZYZLQQQYDAYDB-BDAKNGLRSA-N 0 3 335.813 1.961 20 5 EDBDHN COCCN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000844432031 595342515 /nfs/dbraw/zinc/34/25/15/595342515.db2.gz PVBLAWXHADEKHA-MRXNPFEDSA-N 0 3 337.420 1.671 20 5 EDBDHN Cc1c(C(=O)N[C@H](CN)C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000848439495 595379528 /nfs/dbraw/zinc/37/95/28/595379528.db2.gz QSJLSUOXZRSFFZ-SECBINFHSA-N 0 3 336.226 1.431 20 5 EDBDHN C[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000857765470 595600184 /nfs/dbraw/zinc/60/01/84/595600184.db2.gz AEGGMPDDFXYXQM-ZJUUUORDSA-N 0 3 329.303 1.823 20 5 EDBDHN C[C@@H]1CC[NH2+]C[C@H]1[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765903 595600710 /nfs/dbraw/zinc/60/07/10/595600710.db2.gz LSBAOJOFYGCZMT-BXKDBHETSA-N 0 3 329.303 1.681 20 5 EDBDHN C[C@@H]1CC[NH2+]C[C@@H]1[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765906 595600972 /nfs/dbraw/zinc/60/09/72/595600972.db2.gz LSBAOJOFYGCZMT-SKDRFNHKSA-N 0 3 329.303 1.681 20 5 EDBDHN CC(COC(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000860777877 595792934 /nfs/dbraw/zinc/79/29/34/595792934.db2.gz XZHVJLNYIQJCSK-OUAUKWLOSA-N 0 3 334.344 1.790 20 5 EDBDHN CON(C)C(=O)[C@H](C)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000858579818 595834041 /nfs/dbraw/zinc/83/40/41/595834041.db2.gz UEQHAXVCSQAAPG-LBPRGKRZSA-N 0 3 336.392 1.562 20 5 EDBDHN CN(C)CCN1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1=O ZINC000853710954 595861080 /nfs/dbraw/zinc/86/10/80/595861080.db2.gz GEUJXOLNIYTFEP-UHFFFAOYSA-N 0 3 342.346 1.743 20 5 EDBDHN O=C(CN[C@H](CO)C1CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852320208 596125264 /nfs/dbraw/zinc/12/52/64/596125264.db2.gz HCHAQLZIPLJMBQ-GFCCVEGCSA-N 0 3 327.768 1.937 20 5 EDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000854642495 596145772 /nfs/dbraw/zinc/14/57/72/596145772.db2.gz PUBILRLLHHHRLA-GJZGRUSLSA-N 0 3 337.351 1.669 20 5 EDBDHN Cc1ccc([C@@H](C)NC[C@@]23COCCN2C(=O)COC3)cc1[N+](=O)[O-] ZINC000866555042 596249549 /nfs/dbraw/zinc/24/95/49/596249549.db2.gz KIVKWMQCBIBOLS-DYVFJYSZSA-N 0 3 349.387 1.182 20 5 EDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCCN1CCC(O)CC1 ZINC000865951751 596735075 /nfs/dbraw/zinc/73/50/75/596735075.db2.gz DJDLOHVZNZWXLH-UHFFFAOYSA-N 0 3 339.367 1.239 20 5 EDBDHN CC(C)[C@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)CCN1C ZINC000872736690 597053028 /nfs/dbraw/zinc/05/30/28/597053028.db2.gz UKYBTCBMSCWEHV-LLVKDONJSA-N 0 3 346.229 1.783 20 5 EDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000874847498 597198678 /nfs/dbraw/zinc/19/86/78/597198678.db2.gz PEAHWWZTFQHEAM-CHWSQXEVSA-N 0 3 347.371 1.675 20 5 EDBDHN COc1ccc(NC(=O)CN2CC[C@H]3[C@H]2CCCN3C)c([N+](=O)[O-])c1 ZINC000880135027 597852084 /nfs/dbraw/zinc/85/20/84/597852084.db2.gz PZHUKLWDPBCDHM-LSDHHAIUSA-N 0 3 348.403 1.710 20 5 EDBDHN Cc1c(CN2CCC(C(=O)NCCCO)CC2)cccc1[N+](=O)[O-] ZINC000917053893 696891541 /nfs/dbraw/zinc/89/15/41/696891541.db2.gz LUQXTZLDBIDSBC-UHFFFAOYSA-N 0 3 335.404 1.614 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)c2cc[nH]c2)CC1 ZINC000940129774 700241511 /nfs/dbraw/zinc/24/15/11/700241511.db2.gz ZIKLUCXGEPHQKI-UHFFFAOYSA-N 0 3 346.391 1.441 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)C2(C)CCC2)CC1 ZINC000940259262 700424233 /nfs/dbraw/zinc/42/42/33/700424233.db2.gz NQSDJQYIFGAMSS-UHFFFAOYSA-N 0 3 349.435 1.989 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)C(C)(C)C)CC1 ZINC001034782212 711073833 /nfs/dbraw/zinc/07/38/33/711073833.db2.gz AZTGGKXGDOJAEN-HAQNSBGRSA-N 0 3 337.424 1.891 20 5 EDBDHN Cc1ccc([C@@H](C)NC[C@@H](O)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000557584986 306229956 /nfs/dbraw/zinc/22/99/56/306229956.db2.gz JZMALWYZSGMPEE-GDBMZVCRSA-N 0 3 336.436 1.162 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000267351199 282127126 /nfs/dbraw/zinc/12/71/26/282127126.db2.gz FMLPFWSFHHGPDY-SNVBAGLBSA-N 0 3 327.768 1.651 20 5 EDBDHN CCN1CC[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000412836897 304039313 /nfs/dbraw/zinc/03/93/13/304039313.db2.gz JDQUIKVXTDTWSN-GFCCVEGCSA-N 0 3 329.360 1.605 20 5 EDBDHN CCOc1cc(N2CCN(C)C[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000413496126 304063327 /nfs/dbraw/zinc/06/33/27/304063327.db2.gz KBPCMJWNTCHUGD-LBPRGKRZSA-N 0 3 337.376 1.535 20 5 EDBDHN CN1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000564987815 306372248 /nfs/dbraw/zinc/37/22/48/306372248.db2.gz VMXKSMLSJNZERI-CYBMUJFWSA-N 0 3 334.420 1.607 20 5 EDBDHN CCCc1n[nH]c(C(=O)NC2CCN(CCOC)CC2)c1[N+](=O)[O-] ZINC000109620573 204288732 /nfs/dbraw/zinc/28/87/32/204288732.db2.gz GWKHYFDDDRNQRZ-UHFFFAOYSA-N 0 3 339.396 1.111 20 5 EDBDHN CCCC[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236773631 139031025 /nfs/dbraw/zinc/03/10/25/139031025.db2.gz ITWLFVOAJNZSLO-HNNXBMFYSA-N 0 3 348.403 1.397 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000237784676 139060211 /nfs/dbraw/zinc/06/02/11/139060211.db2.gz FQTKPBCLBOUKGT-FUNVUKJBSA-N 0 3 339.417 1.773 20 5 EDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000157254769 206125310 /nfs/dbraw/zinc/12/53/10/206125310.db2.gz CEIKNSAYYRKZDW-CJNGLKHVSA-N 0 3 333.388 1.916 20 5 EDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000159113913 206227203 /nfs/dbraw/zinc/22/72/03/206227203.db2.gz YYMHMFPYHOSSNI-INIZCTEOSA-N 0 3 332.360 1.185 20 5 EDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000162289111 206392667 /nfs/dbraw/zinc/39/26/67/206392667.db2.gz DGPYJRHQPDEOEX-YOEHRIQHSA-N 0 3 346.431 1.894 20 5 EDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](N)C1CCOCC1 ZINC000261793017 139226410 /nfs/dbraw/zinc/22/64/10/139226410.db2.gz NSHFCKFDJBTFBX-CQSZACIVSA-N 0 3 341.795 1.961 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000154086141 224200538 /nfs/dbraw/zinc/20/05/38/224200538.db2.gz WIBCOVGWKQBJTP-WCQYABFASA-N 0 3 329.360 1.711 20 5 EDBDHN C[C@H]1OCC[C@]1(C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000494269670 255243801 /nfs/dbraw/zinc/24/38/01/255243801.db2.gz AMFNMZGMEZVESM-PSLIRLAXSA-N 0 3 337.332 1.419 20 5 EDBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000264152494 139383295 /nfs/dbraw/zinc/38/32/95/139383295.db2.gz LGNNUFNRRSWMLY-CQSZACIVSA-N 0 3 343.387 1.947 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184306142 533583281 /nfs/dbraw/zinc/58/32/81/533583281.db2.gz SXSMPWMJSNYGMG-AWEZNQCLSA-N 0 3 334.420 1.280 20 5 EDBDHN CS[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1N(C)C ZINC000270406101 140094296 /nfs/dbraw/zinc/09/42/96/140094296.db2.gz ADJUAMPZKMRWQO-STQMWFEESA-N 0 3 349.416 1.589 20 5 EDBDHN CN(C)CCOc1cccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000271100515 140236459 /nfs/dbraw/zinc/23/64/59/140236459.db2.gz KARUODZMMUAJNC-UHFFFAOYSA-N 0 3 347.375 1.199 20 5 EDBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331663271 141064131 /nfs/dbraw/zinc/06/41/31/141064131.db2.gz NXPCVSXEGFBGGX-BETUJISGSA-N 0 3 335.408 1.828 20 5 EDBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000340235596 142315272 /nfs/dbraw/zinc/31/52/72/142315272.db2.gz HQLCBKRCMFZEJR-OAHLLOKOSA-N 0 3 330.388 1.946 20 5 EDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000345124838 143053550 /nfs/dbraw/zinc/05/35/50/143053550.db2.gz GHYOKMWBADIFPK-GFCCVEGCSA-N 0 3 346.387 1.604 20 5 EDBDHN CN1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000416496878 304325316 /nfs/dbraw/zinc/32/53/16/304325316.db2.gz RBIULYHHMIZZGA-SECBINFHSA-N 0 3 333.797 1.478 20 5 EDBDHN Cc1nc(C)n(C[C@H]2CCCCN2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000370026067 155286999 /nfs/dbraw/zinc/28/69/99/155286999.db2.gz IECHXSMUIUBQOT-CQSZACIVSA-N 0 3 333.396 1.554 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000360593731 152112744 /nfs/dbraw/zinc/11/27/44/152112744.db2.gz AAELSYJCVBXVAQ-GFCCVEGCSA-N 0 3 339.417 1.666 20 5 EDBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCN1C ZINC000361083734 152297728 /nfs/dbraw/zinc/29/77/28/152297728.db2.gz QILXOVAMTLDELU-UWVGGRQHSA-N 0 3 328.394 1.137 20 5 EDBDHN CN(c1ncc([N+](=O)[O-])cn1)C1CCN(CCc2ccncc2)CC1 ZINC000363888915 153086350 /nfs/dbraw/zinc/08/63/50/153086350.db2.gz RBGCMILSKYFEBS-UHFFFAOYSA-N 0 3 342.403 1.923 20 5 EDBDHN N[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccc(F)cc1 ZINC000364206017 153172487 /nfs/dbraw/zinc/17/24/87/153172487.db2.gz LKZSOUBJHPWVIY-HUUCEWRRSA-N 0 3 347.350 1.274 20 5 EDBDHN O=C(Nc1cnc2c(c1)CNCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000367372909 154092811 /nfs/dbraw/zinc/09/28/11/154092811.db2.gz VPCZMCTWTFWQHS-UHFFFAOYSA-N 0 3 343.299 1.796 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)n1 ZINC000367551242 154170795 /nfs/dbraw/zinc/17/07/95/154170795.db2.gz YNYCDGXYADYFRI-YGRLFVJLSA-N 0 3 349.416 1.813 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](O)c3ccccc3C2)c1 ZINC000367932616 154331606 /nfs/dbraw/zinc/33/16/06/154331606.db2.gz QOWNWNJOVMRDTP-GOEBONIOSA-N 0 3 332.360 1.092 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](n2cncn2)C1 ZINC000372368745 156355429 /nfs/dbraw/zinc/35/54/29/156355429.db2.gz PGMXDYCRXLATMJ-CQSZACIVSA-N 0 3 344.375 1.770 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1 ZINC000374066001 157128159 /nfs/dbraw/zinc/12/81/59/157128159.db2.gz DDTIUJBDFJXIMA-QBPKDAKJSA-N 0 3 336.388 1.490 20 5 EDBDHN N=C(NO)[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374172301 157177971 /nfs/dbraw/zinc/17/79/71/157177971.db2.gz HRGUTSSUGJOCOG-TZMCWYRMSA-N 0 3 338.364 1.145 20 5 EDBDHN CC[C@H](N)C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000236942376 267921421 /nfs/dbraw/zinc/92/14/21/267921421.db2.gz PMJVINAATJNZCN-QWHCGFSZSA-N 0 3 337.376 1.831 20 5 EDBDHN C[NH+](C)CCOc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000274942010 268245221 /nfs/dbraw/zinc/24/52/21/268245221.db2.gz GIVMEAAHLADUGP-UHFFFAOYSA-N 0 3 346.343 1.888 20 5 EDBDHN CN(C)C1(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCC1 ZINC000275692477 268369218 /nfs/dbraw/zinc/36/92/18/268369218.db2.gz AULCMBBISDWMBR-UHFFFAOYSA-N 0 3 335.360 1.387 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000274521819 273093057 /nfs/dbraw/zinc/09/30/57/273093057.db2.gz WWVHFCCSBTUISR-LBPRGKRZSA-N 0 3 337.380 1.941 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000276215771 273153658 /nfs/dbraw/zinc/15/36/58/273153658.db2.gz WPLIDPFHJLCKTL-GFCCVEGCSA-N 0 3 346.387 1.608 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000277026342 273177752 /nfs/dbraw/zinc/17/77/52/273177752.db2.gz IJVFTNCNHSDUDQ-ZDUSSCGKSA-N 0 3 341.433 1.784 20 5 EDBDHN COc1cc(C[NH2+]CC2(N3CCOCC3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000277517815 273203548 /nfs/dbraw/zinc/20/35/48/273203548.db2.gz SFLUCGLXEQHYIP-UHFFFAOYSA-N 0 3 337.376 1.263 20 5 EDBDHN CC(C)N(CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)COc1ccccc1 ZINC000277681218 273216048 /nfs/dbraw/zinc/21/60/48/273216048.db2.gz BBFUBXVAJYYCOO-OAHLLOKOSA-N 0 3 348.403 1.942 20 5 EDBDHN C[C@H](O)C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279809347 273328854 /nfs/dbraw/zinc/32/88/54/273328854.db2.gz PRWFPFNZLZQVGN-KKUMJFAQSA-N 0 3 338.404 1.960 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC(=O)N[C@H]1c1ccnn1C ZINC000284678270 274290854 /nfs/dbraw/zinc/29/08/54/274290854.db2.gz XCBYSAADQZNGRE-RHSMWYFYSA-N 0 3 343.387 1.746 20 5 EDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000252656857 277181469 /nfs/dbraw/zinc/18/14/69/277181469.db2.gz WGQNLPPAECIXTI-ZFWWWQNUSA-N 0 3 332.404 1.949 20 5 EDBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286867792 288108187 /nfs/dbraw/zinc/10/81/87/288108187.db2.gz YODBJSULNXRYRZ-UHFFFAOYSA-N 0 3 333.348 1.228 20 5 EDBDHN C[C@H](N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000195129104 279392596 /nfs/dbraw/zinc/39/25/96/279392596.db2.gz COJNTEBBSBGQAX-VIFPVBQESA-N 0 3 346.309 1.609 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000292350810 289322717 /nfs/dbraw/zinc/32/27/17/289322717.db2.gz QQPRDAYLEHCDCK-NXEZZACHSA-N 0 3 325.394 1.195 20 5 EDBDHN COCCOC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295609537 303241493 /nfs/dbraw/zinc/24/14/93/303241493.db2.gz VFIZXIUQWMMJTL-MRXNPFEDSA-N 0 3 326.393 1.829 20 5 EDBDHN CC1(C)C[C@@H](O)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295964280 303286900 /nfs/dbraw/zinc/28/69/00/303286900.db2.gz HYNGFTSQEOQEMJ-KBPBESRZSA-N 0 3 338.404 1.817 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000429235772 305026109 /nfs/dbraw/zinc/02/61/09/305026109.db2.gz RSOVOYIKSVPZQV-UONOGXRCSA-N 0 3 344.367 1.797 20 5 EDBDHN COC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000434781431 305129904 /nfs/dbraw/zinc/12/99/04/305129904.db2.gz CAZYYSIVTBFOIF-KCQAQPDRSA-N 0 3 340.376 1.118 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440856345 305213463 /nfs/dbraw/zinc/21/34/63/305213463.db2.gz HBPCUWPHMDPBTP-IUCAKERBSA-N 0 3 347.368 1.291 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000445127875 305256918 /nfs/dbraw/zinc/25/69/18/305256918.db2.gz DGPUXFQGASEFMM-GHMZBOCLSA-N 0 3 346.391 1.753 20 5 EDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448797472 305302029 /nfs/dbraw/zinc/30/20/29/305302029.db2.gz SXQGLRZGJSLLCR-CYBMUJFWSA-N 0 3 341.371 1.747 20 5 EDBDHN CC[C@H]1CN(CC)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451737271 305366029 /nfs/dbraw/zinc/36/60/29/305366029.db2.gz GOVAYSQVEJNPDY-LSDHHAIUSA-N 0 3 337.420 1.751 20 5 EDBDHN CNc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000535016749 306010687 /nfs/dbraw/zinc/01/06/87/306010687.db2.gz FSKVLOHQICQTFV-KGLIPLIRSA-N 0 3 338.433 1.754 20 5 EDBDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000537059301 306025759 /nfs/dbraw/zinc/02/57/59/306025759.db2.gz AGTNXYBGPOWYLO-LSDHHAIUSA-N 0 3 342.417 1.919 20 5 EDBDHN CN1CCN(CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000493702934 447374520 /nfs/dbraw/zinc/37/45/20/447374520.db2.gz CXOVXOVLHJPBIN-BQYQJAHWSA-N 0 3 346.431 1.750 20 5 EDBDHN CCN1CCC(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000044019109 440816895 /nfs/dbraw/zinc/81/68/95/440816895.db2.gz RMJGPOGDTCXWNO-GFCCVEGCSA-N 0 3 348.403 1.314 20 5 EDBDHN CCCCNC(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664934 441247914 /nfs/dbraw/zinc/24/79/14/441247914.db2.gz WGOGEXPIDDKETQ-ZDUSSCGKSA-N 0 3 335.408 1.782 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063465551 441330362 /nfs/dbraw/zinc/33/03/62/441330362.db2.gz VYKRQOLMOFLGNL-HNNXBMFYSA-N 0 3 343.387 1.995 20 5 EDBDHN Cc1ccc(CN(CCN(C)C)C(=O)Cn2ccc([N+](=O)[O-])n2)o1 ZINC000063497695 441333295 /nfs/dbraw/zinc/33/32/95/441333295.db2.gz JDKDFYGHJLSFDJ-UHFFFAOYSA-N 0 3 335.364 1.283 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108619704 441470682 /nfs/dbraw/zinc/47/06/82/441470682.db2.gz BFDPCVZQXHSPFT-CYBMUJFWSA-N 0 3 332.360 1.134 20 5 EDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000032072980 441544794 /nfs/dbraw/zinc/54/47/94/441544794.db2.gz XEAKUFVKOTZKML-LLVKDONJSA-N 0 3 329.422 1.912 20 5 EDBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000090015339 441614684 /nfs/dbraw/zinc/61/46/84/441614684.db2.gz DPZFCOAYTVIJJJ-LLVKDONJSA-N 0 3 329.422 1.897 20 5 EDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000042008209 441693490 /nfs/dbraw/zinc/69/34/90/441693490.db2.gz SXZSZONZOOKPFX-LLVKDONJSA-N 0 3 345.421 1.612 20 5 EDBDHN C[C@@H]1CCCN(CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000068279590 441767434 /nfs/dbraw/zinc/76/74/34/441767434.db2.gz BVVLKACNAPIZPP-CYBMUJFWSA-N 0 3 349.387 1.634 20 5 EDBDHN CN(C)CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000123978251 441904357 /nfs/dbraw/zinc/90/43/57/441904357.db2.gz SAPLWJKVMKIWQZ-UHFFFAOYSA-N 0 3 344.371 1.860 20 5 EDBDHN C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000174392364 441921953 /nfs/dbraw/zinc/92/19/53/441921953.db2.gz BNOJLMCSSQZJSR-AWEZNQCLSA-N 0 3 349.435 1.278 20 5 EDBDHN C[C@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 ZINC000123679024 441894837 /nfs/dbraw/zinc/89/48/37/441894837.db2.gz DEEBJWASRQWVAY-RYUDHWBXSA-N 0 3 325.365 1.807 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000174183989 441899653 /nfs/dbraw/zinc/89/96/53/441899653.db2.gz HHWFZODNORRPOH-OAHLLOKOSA-N 0 3 346.387 1.759 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000069528914 441965644 /nfs/dbraw/zinc/96/56/44/441965644.db2.gz BMGSZZUMXUNYPM-ZDUSSCGKSA-N 0 3 337.376 1.444 20 5 EDBDHN COC1CCN(CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000079685192 442076970 /nfs/dbraw/zinc/07/69/70/442076970.db2.gz PYIPGKKRFXMIHN-UHFFFAOYSA-N 0 3 337.376 1.201 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000152840671 442246680 /nfs/dbraw/zinc/24/66/80/442246680.db2.gz OCJADJCMZBONCE-KEDPEKRHSA-N 0 3 325.340 1.176 20 5 EDBDHN CC(C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000155574366 442409349 /nfs/dbraw/zinc/40/93/49/442409349.db2.gz ZBQNPCXYCAFXAO-UHFFFAOYSA-N 0 3 335.813 1.867 20 5 EDBDHN COc1cc(S(=O)(=O)NCCN(C)C(C)C)ccc1[N+](=O)[O-] ZINC000155583904 442410346 /nfs/dbraw/zinc/41/03/46/442410346.db2.gz VCEFJLHBFHGIGK-UHFFFAOYSA-N 0 3 331.394 1.222 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCN(C)C(C)C)cc1C ZINC000155626779 442414128 /nfs/dbraw/zinc/41/41/28/442414128.db2.gz XODZZHDTCLYFQK-UHFFFAOYSA-N 0 3 329.422 1.830 20 5 EDBDHN O=C(CCN1CCC[C@H](OCCO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000172298246 442438291 /nfs/dbraw/zinc/43/82/91/442438291.db2.gz CWVQMIHEPZQBDM-HNNXBMFYSA-N 0 3 337.376 1.397 20 5 EDBDHN CN1CCN(CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134511001 442488669 /nfs/dbraw/zinc/48/86/69/442488669.db2.gz APPSCVYZRZCUKB-UHFFFAOYSA-N 0 3 340.811 1.616 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000173022159 442588093 /nfs/dbraw/zinc/58/80/93/442588093.db2.gz JFSKNJAJNADRLT-VIFPVBQESA-N 0 3 331.419 1.419 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000173022159 442588095 /nfs/dbraw/zinc/58/80/95/442588095.db2.gz JFSKNJAJNADRLT-VIFPVBQESA-N 0 3 331.419 1.419 20 5 EDBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)N(C)C)cc1 ZINC000180550756 442620984 /nfs/dbraw/zinc/62/09/84/442620984.db2.gz KQNKYIQNARBHRN-OAHLLOKOSA-N 0 3 343.387 1.913 20 5 EDBDHN C[C@@H]1CCNC(=O)[C@@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000193574781 442755272 /nfs/dbraw/zinc/75/52/72/442755272.db2.gz XDPLUPXYTAQMQI-YMTOWFKASA-N 0 3 338.339 1.177 20 5 EDBDHN C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CN1CCCCC1 ZINC000193974319 442822736 /nfs/dbraw/zinc/82/27/36/442822736.db2.gz HHQYYOWPAXZOEE-CYBMUJFWSA-N 0 3 341.433 1.995 20 5 EDBDHN COc1cccc(C(=O)Nc2ccn(CCN(C)C)n2)c1[N+](=O)[O-] ZINC000194186420 442859884 /nfs/dbraw/zinc/85/98/84/442859884.db2.gz DMWMEGLTKIPDDF-UHFFFAOYSA-N 0 3 333.348 1.614 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000268204372 442899712 /nfs/dbraw/zinc/89/97/12/442899712.db2.gz JLVNWPFPHXYECO-UHFFFAOYSA-N 0 3 325.340 1.311 20 5 EDBDHN COc1ccc(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268143707 442867805 /nfs/dbraw/zinc/86/78/05/442867805.db2.gz RTFCLHRKHSVHNL-SMDDNHRTSA-N 0 3 348.403 1.885 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[NH+]2CCCCC2)s1 ZINC000194397723 442889686 /nfs/dbraw/zinc/88/96/86/442889686.db2.gz VBJBNMSFORKNTK-UHFFFAOYSA-N 0 3 333.435 1.811 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000194700001 442939132 /nfs/dbraw/zinc/93/91/32/442939132.db2.gz BSJNUIBTEODJRS-HNNXBMFYSA-N 0 3 329.360 1.605 20 5 EDBDHN CC(C)S(=O)(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000266202091 443055721 /nfs/dbraw/zinc/05/57/21/443055721.db2.gz OQPQQJLMFIUIIR-UHFFFAOYSA-N 0 3 347.462 1.949 20 5 EDBDHN COc1ccc([C@H](C)N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266401741 443117230 /nfs/dbraw/zinc/11/72/30/443117230.db2.gz FAAAXDRRYLNXFH-WFASDCNBSA-N 0 3 334.376 1.854 20 5 EDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000266441749 443127835 /nfs/dbraw/zinc/12/78/35/443127835.db2.gz MUVHSFPRUOWNHG-CABZTGNLSA-N 0 3 326.303 1.781 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCCNCc2cccnc2)c1 ZINC000237241918 443165280 /nfs/dbraw/zinc/16/52/80/443165280.db2.gz WFWDCIFFBCFNQL-UHFFFAOYSA-N 0 3 344.371 1.908 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CCCN2C)c1F ZINC000411618394 319189331 /nfs/dbraw/zinc/18/93/31/319189331.db2.gz MUNLIFJYFGGZEZ-SNVBAGLBSA-N 0 3 325.340 1.495 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264427383 443288439 /nfs/dbraw/zinc/28/84/39/443288439.db2.gz JYJHZJZJTOCTSN-HNNXBMFYSA-N 0 3 348.403 1.267 20 5 EDBDHN COc1ccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272447520 443320402 /nfs/dbraw/zinc/32/04/02/443320402.db2.gz MBWSUMJEPNDUCX-HIFRSBDPSA-N 0 3 348.403 1.839 20 5 EDBDHN Cn1cc(CNC[C@@]2(O)CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000267063852 443329993 /nfs/dbraw/zinc/32/99/93/443329993.db2.gz POFPVHFJSAYWJJ-INIZCTEOSA-N 0 3 348.428 1.953 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000264715416 443388732 /nfs/dbraw/zinc/38/87/32/443388732.db2.gz FMMBDHSLKJIGDC-UHFFFAOYSA-N 0 3 326.422 1.366 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420446327 319620617 /nfs/dbraw/zinc/62/06/17/319620617.db2.gz BCWOJDDXAQSJSA-BDAKNGLRSA-N 0 3 347.368 1.148 20 5 EDBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCN1C[C@@H](C)O ZINC000264788946 443425805 /nfs/dbraw/zinc/42/58/05/443425805.db2.gz RWOVWOKLEHYABB-GHMZBOCLSA-N 0 3 335.364 1.412 20 5 EDBDHN CCN1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278789122 443439948 /nfs/dbraw/zinc/43/99/48/443439948.db2.gz WJXKXCMUHCASQK-UHFFFAOYSA-N 0 3 346.391 1.708 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000273073787 443532082 /nfs/dbraw/zinc/53/20/82/443532082.db2.gz ZWNPQPMLBXDYSK-LLVKDONJSA-N 0 3 347.371 1.762 20 5 EDBDHN CCOCCOCCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000276303892 443684785 /nfs/dbraw/zinc/68/47/85/443684785.db2.gz WBWJFNZTMGGEQP-OAHLLOKOSA-N 0 3 342.392 1.319 20 5 EDBDHN CN1CCN(CCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1(C)C ZINC000281784706 444004942 /nfs/dbraw/zinc/00/49/42/444004942.db2.gz KSQBWGOTWOTJTJ-UHFFFAOYSA-N 0 3 336.396 1.137 20 5 EDBDHN CCOc1cc(CN2CCN(C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281941880 444045191 /nfs/dbraw/zinc/04/51/91/444045191.db2.gz FAXHOKQFVPURGS-KBPBESRZSA-N 0 3 337.420 1.880 20 5 EDBDHN CC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000563138249 321098355 /nfs/dbraw/zinc/09/83/55/321098355.db2.gz LTQKSOOEVMWICA-KGYLQXTDSA-N 0 3 334.319 1.329 20 5 EDBDHN CNS(=O)(=O)c1ccc(NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000301198452 444153642 /nfs/dbraw/zinc/15/36/42/444153642.db2.gz KZBXYZUICVUUFQ-NSHDSACASA-N 0 3 342.421 1.257 20 5 EDBDHN O=[N+]([O-])c1cnc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)nc1 ZINC000302243533 444210670 /nfs/dbraw/zinc/21/06/70/444210670.db2.gz ZBSQFKZJWJXOJJ-HIFRSBDPSA-N 0 3 329.360 1.432 20 5 EDBDHN O=C(N[C@H]1CCCN(CCCO)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000295306720 444176582 /nfs/dbraw/zinc/17/65/82/444176582.db2.gz BLNPDRHRPRFGKY-LBPRGKRZSA-N 0 3 346.387 1.653 20 5 EDBDHN CC(C)N1C[C@H](C)[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301616776 444182490 /nfs/dbraw/zinc/18/24/90/444182490.db2.gz WATHWWQRBVNWGA-NWDGAFQWSA-N 0 3 331.376 1.743 20 5 EDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000296579496 444239499 /nfs/dbraw/zinc/23/94/99/444239499.db2.gz UFOGGMNHCWLFJR-RYUDHWBXSA-N 0 3 329.422 1.882 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCCC[NH3+] ZINC000319356369 444323817 /nfs/dbraw/zinc/32/38/17/444323817.db2.gz UQAAXKZOHMTLHN-SNVBAGLBSA-N 0 3 331.394 1.399 20 5 EDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000325785585 444369886 /nfs/dbraw/zinc/36/98/86/444369886.db2.gz HTKAHXVOYTZLHP-CKEIUWERSA-N 0 3 333.388 1.744 20 5 EDBDHN Cc1cc(NC(=O)C(=O)NCCN2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000298010159 444385715 /nfs/dbraw/zinc/38/57/15/444385715.db2.gz YVRQTGXPFDXADT-CYBMUJFWSA-N 0 3 348.403 1.832 20 5 EDBDHN CC[C@H](C[C@H](C)CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581429593 322177082 /nfs/dbraw/zinc/17/70/82/322177082.db2.gz RZSDVAZGEZGHGO-QWHCGFSZSA-N 0 3 344.433 1.755 20 5 EDBDHN C[C@H](NC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000342279043 444609711 /nfs/dbraw/zinc/60/97/11/444609711.db2.gz IXYGMBZPJIKUTB-LJISPDSOSA-N 0 3 337.420 1.716 20 5 EDBDHN CC[C@H](CN1CCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000611033701 450415380 /nfs/dbraw/zinc/41/53/80/450415380.db2.gz SFFVKFCNFMNUGC-CQSZACIVSA-N 0 3 341.433 1.889 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000343887084 444647651 /nfs/dbraw/zinc/64/76/51/444647651.db2.gz FKPUPCPAOGCHAJ-DGCLKSJQSA-N 0 3 336.392 1.885 20 5 EDBDHN COCCN1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342922315 444942696 /nfs/dbraw/zinc/94/26/96/444942696.db2.gz WJLCLUGYCSJPFE-NSHDSACASA-N 0 3 332.360 1.527 20 5 EDBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000330772258 445135281 /nfs/dbraw/zinc/13/52/81/445135281.db2.gz DGBWQAULEXYOGG-ZDUSSCGKSA-N 0 3 341.433 1.913 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCN1C ZINC000343473922 445229631 /nfs/dbraw/zinc/22/96/31/445229631.db2.gz CMQNVIOZAHMNAN-DOMZBBRYSA-N 0 3 343.387 1.993 20 5 EDBDHN CN(C)CCO[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347456623 445238755 /nfs/dbraw/zinc/23/87/55/445238755.db2.gz WYWBFPGDBZPODN-LBPRGKRZSA-N 0 3 331.376 1.695 20 5 EDBDHN CN(C)CCOC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000351827904 445335650 /nfs/dbraw/zinc/33/56/50/445335650.db2.gz SJAGLGKMYDRVFE-UHFFFAOYSA-N 0 3 339.421 1.851 20 5 EDBDHN CSc1cccc(C(=O)NCC2(O)CCN(C)CC2)c1[N+](=O)[O-] ZINC000362799460 445554772 /nfs/dbraw/zinc/55/47/72/445554772.db2.gz WCQBPCOELFOMRP-UHFFFAOYSA-N 0 3 339.417 1.503 20 5 EDBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(F)cc1 ZINC000360208069 445629459 /nfs/dbraw/zinc/62/94/59/445629459.db2.gz JMQWAZJMDUTEKY-AWEZNQCLSA-N 0 3 347.350 1.744 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(CCN(C)C)CC1 ZINC000363473633 445817346 /nfs/dbraw/zinc/81/73/46/445817346.db2.gz CPHCJRRRXBTPJI-UHFFFAOYSA-N 0 3 335.408 1.008 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000350682040 445879129 /nfs/dbraw/zinc/87/91/29/445879129.db2.gz NQSIJDKNFDLPCI-UHFFFAOYSA-N 0 3 334.420 1.581 20 5 EDBDHN C[C@]1(c2ccc(F)cc2)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361637603 445860383 /nfs/dbraw/zinc/86/03/83/445860383.db2.gz AEYOGQSGVQHPCL-IRXDYDNUSA-N 0 3 348.378 1.955 20 5 EDBDHN CN(C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000359020997 445892766 /nfs/dbraw/zinc/89/27/66/445892766.db2.gz SEXRADGSOURKFR-CQSZACIVSA-N 0 3 343.387 1.706 20 5 EDBDHN Cc1ccc(N[C@@H]2CCN(CCN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000361795340 445952560 /nfs/dbraw/zinc/95/25/60/445952560.db2.gz BJYWEUATYAUHLL-OAHLLOKOSA-N 0 3 334.420 1.722 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C(C)C ZINC000354176519 445973519 /nfs/dbraw/zinc/97/35/19/445973519.db2.gz YABNYVXWBPWKGX-UHFFFAOYSA-N 0 3 336.392 1.552 20 5 EDBDHN CN(C)[C@@H]1CCc2ccccc2[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000361830412 445986907 /nfs/dbraw/zinc/98/69/07/445986907.db2.gz MIOYGYGCOGFOCT-TZMCWYRMSA-N 0 3 328.376 1.997 20 5 EDBDHN CCO[C@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000583867502 326155925 /nfs/dbraw/zinc/15/59/25/326155925.db2.gz NQZHBYPTWHKDTL-HZPDHXFCSA-N 0 3 334.376 1.520 20 5 EDBDHN COC(=O)[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000373185372 446085335 /nfs/dbraw/zinc/08/53/35/446085335.db2.gz ZPCRCTHUJBREMC-LSDHHAIUSA-N 0 3 334.372 1.903 20 5 EDBDHN CN1CCN(C[C@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000376184962 446371261 /nfs/dbraw/zinc/37/12/61/446371261.db2.gz DBANMYXJQMCAAS-CQSZACIVSA-N 0 3 333.436 1.641 20 5 EDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000376410453 446481322 /nfs/dbraw/zinc/48/13/22/446481322.db2.gz HHLXNFYVCDRUOP-CQSZACIVSA-N 0 3 334.376 1.524 20 5 EDBDHN Nc1nccc([C@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000367214020 446523691 /nfs/dbraw/zinc/52/36/91/446523691.db2.gz QWZOGAZMUIYSFM-BBRMVZONSA-N 0 3 343.387 1.880 20 5 EDBDHN CCOC(=O)c1ccnc(N2CC[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000375049783 446544941 /nfs/dbraw/zinc/54/49/41/446544941.db2.gz OVDSNZLWSPBKDR-WCQYABFASA-N 0 3 334.376 1.697 20 5 EDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCNC[C@H]1C(F)F ZINC000367994966 446617751 /nfs/dbraw/zinc/61/77/51/446617751.db2.gz WXENSJVFQCICQZ-JTQLQIEISA-N 0 3 325.275 1.150 20 5 EDBDHN O=C(CNC[C@@H]1CCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423718114 446658397 /nfs/dbraw/zinc/65/83/97/446658397.db2.gz BXVCSOWXSUSFPD-HNNXBMFYSA-N 0 3 333.388 1.854 20 5 EDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CNCCO1 ZINC000423991132 446811527 /nfs/dbraw/zinc/81/15/27/446811527.db2.gz LFFDVDKUBPCHSB-CMPLNLGQSA-N 0 3 325.390 1.180 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@]2(CO)Cc2ccccc2)c1 ZINC000375471358 446826457 /nfs/dbraw/zinc/82/64/57/446826457.db2.gz SNBDBNUKQZZETM-QGZVFWFLSA-N 0 3 330.388 1.861 20 5 EDBDHN CN1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)C1 ZINC000375496989 446848775 /nfs/dbraw/zinc/84/87/75/446848775.db2.gz PGUDSGBFKOMFRD-AWEZNQCLSA-N 0 3 347.419 1.029 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@H]21 ZINC000371533678 446918813 /nfs/dbraw/zinc/91/88/13/446918813.db2.gz IVUKELBLPGBBJY-TVQRCGJNSA-N 0 3 347.400 1.766 20 5 EDBDHN C[C@@]1([C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)NC(=O)NC1=O ZINC000368660749 447013793 /nfs/dbraw/zinc/01/37/93/447013793.db2.gz CWQYBJIVJLCGQD-WBMJQRKESA-N 0 3 332.360 1.405 20 5 EDBDHN C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000454859189 446988398 /nfs/dbraw/zinc/98/83/98/446988398.db2.gz KISHBJSWNWBEGM-LBPRGKRZSA-N 0 3 346.391 2.236 20 5 EDBDHN Nc1c(C(=O)NC[C@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000375981863 447189518 /nfs/dbraw/zinc/18/95/18/447189518.db2.gz YQBXUXJCHZOBOX-CQSZACIVSA-N 0 3 326.356 1.794 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000450734318 447560367 /nfs/dbraw/zinc/56/03/67/447560367.db2.gz VNXANVHQPQBGFH-MXWKQRLJSA-N 0 3 325.365 1.537 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCCN(C)C1 ZINC000416564121 447648926 /nfs/dbraw/zinc/64/89/26/447648926.db2.gz QLZGHRDMUJZDSC-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(NCCCNCc3cccnc3)nn21 ZINC000420188943 447661331 /nfs/dbraw/zinc/66/13/31/447661331.db2.gz UECIZGJTHYXFSI-UHFFFAOYSA-N 0 3 327.348 1.624 20 5 EDBDHN CC(C)(C)OC(=O)NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000496553824 447818003 /nfs/dbraw/zinc/81/80/03/447818003.db2.gz UMJJNFMCTIDIKH-ZDUSSCGKSA-N 0 3 325.365 1.743 20 5 EDBDHN O=C1OCCN1C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000496678748 447846511 /nfs/dbraw/zinc/84/65/11/447846511.db2.gz DQFSSWSJTVNEQM-CYBMUJFWSA-N 0 3 335.360 1.748 20 5 EDBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])C1CC1 ZINC000549327391 447872394 /nfs/dbraw/zinc/87/23/94/447872394.db2.gz LNCRXESNSLUBDC-OAHLLOKOSA-N 0 3 343.387 1.958 20 5 EDBDHN CCN1CCC(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576298635 448022438 /nfs/dbraw/zinc/02/24/38/448022438.db2.gz IMOSSXYQXGGXED-UHFFFAOYSA-N 0 3 341.433 1.746 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CN1C1CC1 ZINC000531243886 448044930 /nfs/dbraw/zinc/04/49/30/448044930.db2.gz MGLRVSLMRMTTHH-UWVGGRQHSA-N 0 3 333.344 1.679 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cccc(CO)c2)c1 ZINC000576864317 448158150 /nfs/dbraw/zinc/15/81/50/448158150.db2.gz RUDCNKGYTWCKMG-INIZCTEOSA-N 0 3 332.356 1.617 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531821406 448153913 /nfs/dbraw/zinc/15/39/13/448153913.db2.gz KHUOTFVGOZEXPP-IINYFYTJSA-N 0 3 347.371 1.579 20 5 EDBDHN CC(COC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cscn1)[N+](=O)[O-] ZINC000497076713 448178448 /nfs/dbraw/zinc/17/84/48/448178448.db2.gz MBPDKEVVHFZBFD-WPRPVWTQSA-N 0 3 345.377 1.917 20 5 EDBDHN CCN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531888613 448166775 /nfs/dbraw/zinc/16/67/75/448166775.db2.gz JPTAWKQMPIDYJC-UHFFFAOYSA-N 0 3 335.408 1.137 20 5 EDBDHN CC[C@H](C)Oc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000577723088 448368458 /nfs/dbraw/zinc/36/84/58/448368458.db2.gz FAZNREFSOATILK-WFASDCNBSA-N 0 3 349.391 1.514 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CNCCC1(F)F ZINC000591672936 448442275 /nfs/dbraw/zinc/44/22/75/448442275.db2.gz XLHUPCXAVLVIRB-LLVKDONJSA-N 0 3 329.303 1.464 20 5 EDBDHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000578482951 448555649 /nfs/dbraw/zinc/55/56/49/448555649.db2.gz YNLJMRIJERMODP-XQQFMLRXSA-N 0 3 344.437 1.688 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)Nc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592211894 448749893 /nfs/dbraw/zinc/74/98/93/448749893.db2.gz XWMGFSSPIDZCKI-UHFFFAOYSA-N 0 3 334.376 1.923 20 5 EDBDHN CCc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864004 448943494 /nfs/dbraw/zinc/94/34/94/448943494.db2.gz VTXUINDPORQELZ-LSDHHAIUSA-N 0 3 333.388 1.438 20 5 EDBDHN CN1C[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592881091 449033948 /nfs/dbraw/zinc/03/39/48/449033948.db2.gz KHIPLTRZYYFYEV-OLZOCXBDSA-N 0 3 329.360 1.393 20 5 EDBDHN CS[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1N1CCCC1 ZINC000548448650 449047489 /nfs/dbraw/zinc/04/74/89/449047489.db2.gz WVROYBVBDSHFEP-NEPJUHHUSA-N 0 3 325.438 1.653 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000590011672 449096362 /nfs/dbraw/zinc/09/63/62/449096362.db2.gz LRQHSOISGNEXLU-BBRMVZONSA-N 0 3 330.388 1.120 20 5 EDBDHN CC(C)C[N@H+](C)CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593616359 449110339 /nfs/dbraw/zinc/11/03/39/449110339.db2.gz LEKAKFNQRHNFIG-UHFFFAOYSA-N 0 3 329.422 1.851 20 5 EDBDHN CC(C)C[N@@H+](C)CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593616359 449110342 /nfs/dbraw/zinc/11/03/42/449110342.db2.gz LEKAKFNQRHNFIG-UHFFFAOYSA-N 0 3 329.422 1.851 20 5 EDBDHN COC(=O)[C@H]1C[C@@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595848284 449205522 /nfs/dbraw/zinc/20/55/22/449205522.db2.gz GTHISKIYIXOTDC-VDISTLRHSA-N 0 3 335.360 1.807 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000590566211 449193633 /nfs/dbraw/zinc/19/36/33/449193633.db2.gz VOOCOORTUDGNTL-CVEARBPZSA-N 0 3 333.388 1.838 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000604489617 449238196 /nfs/dbraw/zinc/23/81/96/449238196.db2.gz RAXURTIMSJGRNO-KRWDZBQOSA-N 0 3 347.415 1.851 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3CC2(c2ccccc2)C3)c1 ZINC000595912245 449249266 /nfs/dbraw/zinc/24/92/66/449249266.db2.gz XNSQIDVDKKNLBM-BLDCVEFLSA-N 0 3 328.372 1.773 20 5 EDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@H](C)N(C)C)c1 ZINC000593404374 449266810 /nfs/dbraw/zinc/26/68/10/449266810.db2.gz RQKMJAVFYMEZNZ-ZDUSSCGKSA-N 0 3 345.403 1.828 20 5 EDBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCCNCC2)c1 ZINC000593900676 449271652 /nfs/dbraw/zinc/27/16/52/449271652.db2.gz RIXYLGGCRXLCTK-UHFFFAOYSA-N 0 3 343.387 1.584 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H](CN)C(F)(F)F ZINC000596050099 449337074 /nfs/dbraw/zinc/33/70/74/449337074.db2.gz IJHCJEWMJRNWOJ-SECBINFHSA-N 0 3 341.311 1.413 20 5 EDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598536227 449451855 /nfs/dbraw/zinc/45/18/55/449451855.db2.gz PCQKCLJGJSFDRK-GFCCVEGCSA-N 0 3 336.392 1.638 20 5 EDBDHN CC(C)(C)N1CC[C@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596307828 449467526 /nfs/dbraw/zinc/46/75/26/449467526.db2.gz FGWRIVKERSZIDY-NSHDSACASA-N 0 3 342.421 1.527 20 5 EDBDHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000600662995 449479631 /nfs/dbraw/zinc/47/96/31/449479631.db2.gz ZFSAKVOOZXFAGP-RWMBFGLXSA-N 0 3 337.376 1.902 20 5 EDBDHN COC(=O)c1ccnc(N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000598590791 449480376 /nfs/dbraw/zinc/48/03/76/449480376.db2.gz XGZZFZHYBWZOIF-UHFFFAOYSA-N 0 3 343.343 1.498 20 5 EDBDHN CC(C)(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000594394309 449490845 /nfs/dbraw/zinc/49/08/45/449490845.db2.gz WYWWCJYXOLWNFC-LSDHHAIUSA-N 0 3 333.388 1.150 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1C ZINC000594474074 449539431 /nfs/dbraw/zinc/53/94/31/449539431.db2.gz FAMXIXYZCNEDJW-BETUJISGSA-N 0 3 341.433 1.830 20 5 EDBDHN CNc1nccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594417693 449504630 /nfs/dbraw/zinc/50/46/30/449504630.db2.gz FBKUBXJXILFYRL-STQMWFEESA-N 0 3 333.392 1.778 20 5 EDBDHN C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)CN1CCOCC1 ZINC000602549781 449667894 /nfs/dbraw/zinc/66/78/94/449667894.db2.gz DUWKEGNNUYHAAX-GFCCVEGCSA-N 0 3 334.376 1.794 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H](CO)CC(F)(F)F)CC2)cn1 ZINC000602581099 449685755 /nfs/dbraw/zinc/68/57/55/449685755.db2.gz PKBIRHWISQLHOL-NSHDSACASA-N 0 3 348.325 1.862 20 5 EDBDHN COC[C@H](O)CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602582958 449686634 /nfs/dbraw/zinc/68/66/34/449686634.db2.gz ZKFUKKBIFKOVAE-SSDOTTSWSA-N 0 3 339.211 1.906 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C23CCC3)c(Cl)c1 ZINC000599107489 449740052 /nfs/dbraw/zinc/74/00/52/449740052.db2.gz MHKHILCJAAGXBI-GFCCVEGCSA-N 0 3 345.808 1.811 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000595090902 449865551 /nfs/dbraw/zinc/86/55/51/449865551.db2.gz KXSWUMZJTHXCSW-ZDUSSCGKSA-N 0 3 348.403 1.831 20 5 EDBDHN CCN1[C@H](C)CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000602873344 449880992 /nfs/dbraw/zinc/88/09/92/449880992.db2.gz HHUAXTNPECHXCQ-OKILXGFUSA-N 0 3 334.420 1.972 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])s1 ZINC000601344656 449853185 /nfs/dbraw/zinc/85/31/85/449853185.db2.gz ZQFFKTZOKCUNCW-SNVBAGLBSA-N 0 3 333.435 1.679 20 5 EDBDHN Cc1sc(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000601420702 449937442 /nfs/dbraw/zinc/93/74/42/449937442.db2.gz FKUHXQPGXOMLEI-WPRPVWTQSA-N 0 3 333.435 1.678 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601422710 449941202 /nfs/dbraw/zinc/94/12/02/449941202.db2.gz XGIPLTGNBBUDMW-UWVGGRQHSA-N 0 3 333.435 1.678 20 5 EDBDHN CC[C@H](CN1CCCC1)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000609833619 450103020 /nfs/dbraw/zinc/10/30/20/450103020.db2.gz PHTUBPSJUZECPX-CQSZACIVSA-N 0 3 349.387 1.986 20 5 EDBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599625718 450112457 /nfs/dbraw/zinc/11/24/57/450112457.db2.gz NBIXJIJBGRFMRG-DRAKQNMHSA-N 0 3 333.388 1.885 20 5 EDBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC1CCN([C@H]2CCOC2)CC1 ZINC000595447578 450148040 /nfs/dbraw/zinc/14/80/40/450148040.db2.gz NUGQUMVJDDXXDL-HNNXBMFYSA-N 0 3 348.403 1.647 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H](c2ccco2)N2CCCC2)c1 ZINC000610335340 450194369 /nfs/dbraw/zinc/19/43/69/450194369.db2.gz HISNKOFLPWBQMC-LSDHHAIUSA-N 0 3 349.391 1.172 20 5 EDBDHN Cn1ccc(N2CCC[C@@H](NCCc3ccc([N+](=O)[O-])cc3)C2=O)n1 ZINC000610341498 450196476 /nfs/dbraw/zinc/19/64/76/450196476.db2.gz XGNMLCYZCRDBKP-OAHLLOKOSA-N 0 3 343.387 1.656 20 5 EDBDHN Cc1c(CC(=O)N[C@@H](C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000184352944 533834829 /nfs/dbraw/zinc/83/48/29/533834829.db2.gz QNFRAYDSJDMIMQ-AWEZNQCLSA-N 0 3 348.447 1.588 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000184371875 533919181 /nfs/dbraw/zinc/91/91/81/533919181.db2.gz NOVTWZOWDZKVEU-LLVKDONJSA-N 0 3 326.422 1.412 20 5 EDBDHN CCCN1CCC[C@H]1CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000343567627 534909853 /nfs/dbraw/zinc/90/98/53/534909853.db2.gz JNGMOVRVMKUCIE-AWEZNQCLSA-N 0 3 349.387 1.986 20 5 EDBDHN CC1([C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)OCCO1 ZINC000183827308 528058201 /nfs/dbraw/zinc/05/82/01/528058201.db2.gz HSDQXYPAMCLXPL-ZDUSSCGKSA-N 0 3 337.376 1.232 20 5 EDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000264017961 536419090 /nfs/dbraw/zinc/41/90/90/536419090.db2.gz LJFBPYMVABAQDO-AEFFLSMTSA-N 0 3 346.383 2.000 20 5 EDBDHN CN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@@H]1CCN(C2CC2)C1 ZINC000742147453 579436351 /nfs/dbraw/zinc/43/63/51/579436351.db2.gz IJFHVQPYIKMFFZ-OAHLLOKOSA-N 0 3 342.403 1.979 20 5 EDBDHN C[C@H]1CCCN1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000742236722 579444075 /nfs/dbraw/zinc/44/40/75/579444075.db2.gz DUHOMHGMSSXZID-ZDUSSCGKSA-N 0 3 343.387 1.995 20 5 EDBDHN CN(CCCNCc1cc(Cl)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000740003528 578492068 /nfs/dbraw/zinc/49/20/68/578492068.db2.gz ZMTSJSCNSNOQSB-UHFFFAOYSA-N 0 3 335.813 1.619 20 5 EDBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN2CCC[C@H]2C1 ZINC000732042788 578688178 /nfs/dbraw/zinc/68/81/78/578688178.db2.gz FUGMRCBRGQIZFN-AWEZNQCLSA-N 0 3 330.388 1.771 20 5 EDBDHN COC(=O)C[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000754529258 579905571 /nfs/dbraw/zinc/90/55/71/579905571.db2.gz XJSLMPLJQNCYCO-AWEZNQCLSA-N 0 3 335.360 1.773 20 5 EDBDHN COC(=O)C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000754541695 579906082 /nfs/dbraw/zinc/90/60/82/579906082.db2.gz ZDBVCGICGXEEKX-LSDHHAIUSA-N 0 3 347.371 1.631 20 5 EDBDHN CN(C)CCn1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)ccc1=O ZINC000756063230 579942833 /nfs/dbraw/zinc/94/28/33/579942833.db2.gz OKUOLJNVMJWMES-UHFFFAOYSA-N 0 3 345.359 1.153 20 5 EDBDHN O=C(CN[C@@H](CCO)C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771801368 580294497 /nfs/dbraw/zinc/29/44/97/580294497.db2.gz ISFXVFYCSZVNAQ-NSHDSACASA-N 0 3 327.768 1.937 20 5 EDBDHN CN1CCC2(CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000773922051 580349336 /nfs/dbraw/zinc/34/93/36/580349336.db2.gz CZWBSDJPNUSSKZ-OAHLLOKOSA-N 0 3 333.388 1.573 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000781995988 580562963 /nfs/dbraw/zinc/56/29/63/580562963.db2.gz SMWRGWAHGNMUAK-MLGOLLRUSA-N 0 3 346.387 1.546 20 5 EDBDHN CC(C)N1CCN(CCCOC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000787579655 580698504 /nfs/dbraw/zinc/69/85/04/580698504.db2.gz XIIJQPGBUXPJNJ-UHFFFAOYSA-N 0 3 325.365 1.761 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](O)CN(C)C ZINC000790268395 580765472 /nfs/dbraw/zinc/76/54/72/580765472.db2.gz OJSBSVIROSPTGM-SECBINFHSA-N 0 3 331.756 1.369 20 5 EDBDHN CCO[C@H](CNc1cc(C(=O)OC)ccc1[N+](=O)[O-])CN(C)C ZINC000896116199 591349242 /nfs/dbraw/zinc/34/92/42/591349242.db2.gz QCOOGDXEXKVRQJ-GFCCVEGCSA-N 0 3 325.365 1.760 20 5 EDBDHN CN1CCC[C@](O)(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901015490 592197479 /nfs/dbraw/zinc/19/74/79/592197479.db2.gz CHSIWVMOTQOTQK-HNNXBMFYSA-N 0 3 341.795 1.711 20 5 EDBDHN CNCCN(C(C)C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000903590312 592234408 /nfs/dbraw/zinc/23/44/08/592234408.db2.gz UKBMQTKUYVEGTA-UHFFFAOYSA-N 0 3 335.813 1.867 20 5 EDBDHN Cc1cc(Br)cn2cc(CCNCC[N+](=O)[O-])nc12 ZINC000905208821 592465773 /nfs/dbraw/zinc/46/57/73/592465773.db2.gz OBRRGSKTWKVRNJ-UHFFFAOYSA-N 0 3 327.182 1.814 20 5 EDBDHN C[C@@H](CNS(=O)(=O)CCCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000907458700 592666139 /nfs/dbraw/zinc/66/61/39/592666139.db2.gz WUVLWHVKYLTJAC-LBPRGKRZSA-N 0 3 329.422 1.569 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)c([N+](=O)[O-])s1 ZINC000907564227 592711094 /nfs/dbraw/zinc/71/10/94/592711094.db2.gz LZGPWXIUMXBENC-MFKMUULPSA-N 0 3 345.446 1.537 20 5 EDBDHN Cc1c(CNC(=O)CCN2CCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000907696227 592760304 /nfs/dbraw/zinc/76/03/04/592760304.db2.gz SULKBMQFHLLHMP-UHFFFAOYSA-N 0 3 348.447 1.936 20 5 EDBDHN C[C@@H](CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)N(C)C1CC1 ZINC000906542470 592847532 /nfs/dbraw/zinc/84/75/32/592847532.db2.gz GFRLQZDPXMGUDW-NSHDSACASA-N 0 3 349.387 1.969 20 5 EDBDHN CN1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CN)C1 ZINC000911879865 593029835 /nfs/dbraw/zinc/02/98/35/593029835.db2.gz QGKGJNVEVKRTLL-ZDUSSCGKSA-N 0 3 340.811 1.282 20 5 EDBDHN CN(C)C[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000782946786 593130838 /nfs/dbraw/zinc/13/08/38/593130838.db2.gz FIJFIXHBJBNPFI-JTQLQIEISA-N 0 3 347.462 1.838 20 5 EDBDHN CC(COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)[N+](=O)[O-] ZINC000813100916 593517610 /nfs/dbraw/zinc/51/76/10/593517610.db2.gz YFNWIYMMJRBUMP-QMMMGPOBSA-N 0 3 334.250 1.644 20 5 EDBDHN CC(COC(=O)Cc1csc(NC(=O)c2ccco2)n1)[N+](=O)[O-] ZINC000813103606 593517765 /nfs/dbraw/zinc/51/77/65/593517765.db2.gz RJCHCTCZPKUFEM-MRVPVSSYSA-N 0 3 339.329 1.739 20 5 EDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1CCO[C@@H]1CCCCO1 ZINC000813106376 593517887 /nfs/dbraw/zinc/51/78/87/593517887.db2.gz BWWDMBFSMXOSAP-BXUZGUMPSA-N 0 3 341.364 1.557 20 5 EDBDHN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(C)[N+](=O)[O-] ZINC000813109225 593518148 /nfs/dbraw/zinc/51/81/48/593518148.db2.gz HESFUQHRUXKLBT-BMIGLBTASA-N 0 3 333.344 1.424 20 5 EDBDHN CCN1CC[C@H]2OCCN(c3nc4ccccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000814905655 593606426 /nfs/dbraw/zinc/60/64/26/593606426.db2.gz MOYVOLMJGAIKHN-QWHCGFSZSA-N 0 3 331.376 1.542 20 5 EDBDHN C[C@H](NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601223 593643904 /nfs/dbraw/zinc/64/39/04/593643904.db2.gz QKJJJKDURYSMPW-JVLSTEMRSA-N 0 3 336.392 1.463 20 5 EDBDHN CC(=O)Nc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819271396 593747726 /nfs/dbraw/zinc/74/77/26/593747726.db2.gz ACZAVQNNLMRGKD-HNNXBMFYSA-N 0 3 330.344 1.771 20 5 EDBDHN CN1CCC(ONC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000819688711 593763438 /nfs/dbraw/zinc/76/34/38/593763438.db2.gz LHTRLIMCBWJKTB-UHFFFAOYSA-N 0 3 345.359 1.536 20 5 EDBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@@H+]1C1CC1 ZINC000820664505 593857404 /nfs/dbraw/zinc/85/74/04/593857404.db2.gz AZAYTMBGWQRHQB-NXEZZACHSA-N 0 3 329.364 1.812 20 5 EDBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@H+]1C1CC1 ZINC000820664505 593857405 /nfs/dbraw/zinc/85/74/05/593857405.db2.gz AZAYTMBGWQRHQB-NXEZZACHSA-N 0 3 329.364 1.812 20 5 EDBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@@H+]1C1CC1 ZINC000820664505 593857406 /nfs/dbraw/zinc/85/74/06/593857406.db2.gz AZAYTMBGWQRHQB-NXEZZACHSA-N 0 3 329.364 1.812 20 5 EDBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@H+]1C1CC1 ZINC000820664505 593857407 /nfs/dbraw/zinc/85/74/07/593857407.db2.gz AZAYTMBGWQRHQB-NXEZZACHSA-N 0 3 329.364 1.812 20 5 EDBDHN Nc1c(C(=O)N2CCN3CC[C@H]2C3)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000821021333 593948100 /nfs/dbraw/zinc/94/81/00/593948100.db2.gz OYDVKJQMVGSELB-ZETCQYMHSA-N 0 3 328.731 1.500 20 5 EDBDHN CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000825451239 594187220 /nfs/dbraw/zinc/18/72/20/594187220.db2.gz HMXUAPIPOROPMD-GHMZBOCLSA-N 0 3 331.380 1.694 20 5 EDBDHN CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000825451239 594187222 /nfs/dbraw/zinc/18/72/22/594187222.db2.gz HMXUAPIPOROPMD-GHMZBOCLSA-N 0 3 331.380 1.694 20 5 EDBDHN CN1CCC[C@@H](N2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)C1 ZINC000825863199 594264871 /nfs/dbraw/zinc/26/48/71/594264871.db2.gz NZIXWNPOJANKRE-CQSZACIVSA-N 0 3 326.441 1.060 20 5 EDBDHN COc1cc(C(=O)NCCN2CCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000828840545 594514428 /nfs/dbraw/zinc/51/44/28/594514428.db2.gz SAAHBMFJWJEJDD-JTQLQIEISA-N 0 3 325.340 1.957 20 5 EDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827332797 594661988 /nfs/dbraw/zinc/66/19/88/594661988.db2.gz SBUWWTBXOJNVHG-IMJJTQAJSA-N 0 3 333.388 1.571 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H](O)Cc2ccc(F)cc2)cc1 ZINC000834353694 595100958 /nfs/dbraw/zinc/10/09/58/595100958.db2.gz MLIPBIFZATWVOA-SJORKVTESA-N 0 3 334.347 1.961 20 5 EDBDHN CCN(OC)C(=O)CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843429979 595109620 /nfs/dbraw/zinc/10/96/20/595109620.db2.gz FIYIOBBCVAGTGW-UHFFFAOYSA-N 0 3 336.392 1.563 20 5 EDBDHN Cc1ccc([C@H](O)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000843112418 595289152 /nfs/dbraw/zinc/28/91/52/595289152.db2.gz ROHVWWBHSZPLEV-FUHWJXTLSA-N 0 3 346.383 1.966 20 5 EDBDHN CN(C)Cc1ccc(CN(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000847416612 595414539 /nfs/dbraw/zinc/41/45/39/595414539.db2.gz ORPHPTNUOQNCMN-UHFFFAOYSA-N 0 3 343.387 1.906 20 5 EDBDHN O=C(Cn1cnc([N+](=O)[O-])n1)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000117094662 595531093 /nfs/dbraw/zinc/53/10/93/595531093.db2.gz JECRPONOGIBMFV-CYBMUJFWSA-N 0 3 331.332 1.004 20 5 EDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1=NO[C@H](CN)C1 ZINC000852805945 595550496 /nfs/dbraw/zinc/55/04/96/595550496.db2.gz CNURGGFXKDPGCA-JTQLQIEISA-N 0 3 326.740 1.310 20 5 EDBDHN COc1ccc(NC(=O)CCN2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000860162153 595601147 /nfs/dbraw/zinc/60/11/47/595601147.db2.gz SFAGZHAZELAIBW-ZYHUDNBSSA-N 0 3 349.343 1.037 20 5 EDBDHN CC([C@H](OC(=O)[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1F)[N+](=O)[O-] ZINC000860855128 595818603 /nfs/dbraw/zinc/81/86/03/595818603.db2.gz RSKVQRQFMJWYTO-KMLBCRHOSA-N 0 3 340.307 1.108 20 5 EDBDHN CN(C)C[C@H](CO)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000854465377 596088114 /nfs/dbraw/zinc/08/81/14/596088114.db2.gz QPHRDYWHNKCFFG-MRVPVSSYSA-N 0 3 336.175 1.554 20 5 EDBDHN CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCN(C)CC1 ZINC000861895592 596140346 /nfs/dbraw/zinc/14/03/46/596140346.db2.gz YIDGUNMRQRYURU-UHFFFAOYSA-N 0 3 345.403 1.887 20 5 EDBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000120044645 596239584 /nfs/dbraw/zinc/23/95/84/596239584.db2.gz DHPNPIAAVPRFIO-PWSUYJOCSA-N 0 3 345.446 1.761 20 5 EDBDHN Cc1c([C@H](C)NC[C@]23COCCN2C(=O)COC3)cccc1[N+](=O)[O-] ZINC000866553859 596248328 /nfs/dbraw/zinc/24/83/28/596248328.db2.gz DVFIZUPYVROWLV-SUMWQHHRSA-N 0 3 349.387 1.182 20 5 EDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000867812493 596564762 /nfs/dbraw/zinc/56/47/62/596564762.db2.gz KKBOZUWCTRSASP-MFKMUULPSA-N 0 3 343.380 1.449 20 5 EDBDHN COCCN1CCC[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865504117 596592903 /nfs/dbraw/zinc/59/29/03/596592903.db2.gz BWGJYTPUKJTUQZ-LBPRGKRZSA-N 0 3 327.356 1.749 20 5 EDBDHN O=[N+]([O-])c1c2cccnc2ccc1N1C[C@@H]2CCCN2C[C@@H]1CO ZINC000872758274 597060001 /nfs/dbraw/zinc/06/00/01/597060001.db2.gz XPDGZQDACRFUFX-QWHCGFSZSA-N 0 3 328.372 1.788 20 5 EDBDHN Cc1cc(OCC(=O)N2CC[C@@H]3[C@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874831263 597189415 /nfs/dbraw/zinc/18/94/15/597189415.db2.gz YXVPOSUOBBBCJP-HZPDHXFCSA-N 0 3 333.388 1.977 20 5 EDBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000876470743 597212428 /nfs/dbraw/zinc/21/24/28/597212428.db2.gz ZPZVPHQPMFUNFQ-MRXNPFEDSA-N 0 3 337.376 1.014 20 5 EDBDHN CN1CCN(C2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000877746059 597552617 /nfs/dbraw/zinc/55/26/17/597552617.db2.gz GGKFVOUDCVNFBM-UHFFFAOYSA-N 0 3 336.411 1.946 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)C(F)F)CC1 ZINC000939892634 700029634 /nfs/dbraw/zinc/02/96/34/700029634.db2.gz ZTMRPLGKDCLWSV-UHFFFAOYSA-N 0 3 331.323 1.064 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)c2ccco2)CC1 ZINC000997478439 703735579 /nfs/dbraw/zinc/73/55/79/703735579.db2.gz VVWFSJOKJJDVCW-UHFFFAOYSA-N 0 3 347.375 1.563 20 5 EDBDHN COc1cc(CNC[C@]2(OC)CCSC2)c([N+](=O)[O-])cc1O ZINC000922571961 704013528 /nfs/dbraw/zinc/01/35/28/704013528.db2.gz QASKDBBGIFLQND-CQSZACIVSA-N 0 3 328.390 1.921 20 5 EDBDHN CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000922589360 704095794 /nfs/dbraw/zinc/09/57/94/704095794.db2.gz JXONOBFYAAGFKF-ZDUSSCGKSA-N 0 3 339.392 1.509 20 5 EDBDHN O=C(CN1CCCC1)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001004147925 711560391 /nfs/dbraw/zinc/56/03/91/711560391.db2.gz ODFQEJVTUBIGCE-UHFFFAOYSA-N 0 3 346.431 1.771 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCn2ccnc2)cc1 ZINC000558119734 306235735 /nfs/dbraw/zinc/23/57/35/306235735.db2.gz LKNOMGITRMHYBA-UHFFFAOYSA-N 0 3 338.389 1.245 20 5 EDBDHN Cc1ccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000065978416 215001821 /nfs/dbraw/zinc/00/18/21/215001821.db2.gz RQMBNOLGOCXSMM-UHFFFAOYSA-N 0 3 349.412 1.971 20 5 EDBDHN Cn1nccc1[C@@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCC(=O)N1C ZINC000343464719 282879802 /nfs/dbraw/zinc/87/98/02/282879802.db2.gz WGOUKMWZDGRFBB-PBHICJAKSA-N 0 3 343.387 1.780 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000184324453 235367020 /nfs/dbraw/zinc/36/70/20/235367020.db2.gz PVRQQXMCZOWTRK-LBPRGKRZSA-N 0 3 338.383 1.490 20 5 EDBDHN COC(=O)[C@H]1CN(C)CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000413492106 304062805 /nfs/dbraw/zinc/06/28/05/304062805.db2.gz CDXVTGHZMZDLHH-LBPRGKRZSA-N 0 3 344.371 1.684 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(CC2CCCCC2)CC1 ZINC000070825904 201169816 /nfs/dbraw/zinc/16/98/16/201169816.db2.gz XWTKKYZSTTYOCQ-UHFFFAOYSA-N 0 3 335.408 1.516 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(CCc2cccc(F)c2)C2CC2)c1 ZINC000075743835 203322424 /nfs/dbraw/zinc/32/24/24/203322424.db2.gz ZNVOXQOVCQTIFX-QGZVFWFLSA-N 0 3 348.378 1.998 20 5 EDBDHN CN1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000109984190 204298315 /nfs/dbraw/zinc/29/83/15/204298315.db2.gz RVUPNADCWGMHJR-UHFFFAOYSA-N 0 3 330.344 1.260 20 5 EDBDHN CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000229626967 139023987 /nfs/dbraw/zinc/02/39/87/139023987.db2.gz ASZDXKIQEOUZKP-UHFFFAOYSA-N 0 3 333.797 1.669 20 5 EDBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000111339956 220141313 /nfs/dbraw/zinc/14/13/13/220141313.db2.gz AHLLIXOLXKBWEN-UHFFFAOYSA-N 0 3 333.435 1.619 20 5 EDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCCCNCc1cccnc1 ZINC000238105180 139069088 /nfs/dbraw/zinc/06/90/88/139069088.db2.gz DWZMOMVDOWEEGB-UHFFFAOYSA-N 0 3 328.372 1.828 20 5 EDBDHN Cc1sc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000160594095 206304636 /nfs/dbraw/zinc/30/46/36/206304636.db2.gz QKAXOVBZNLRXSR-LLVKDONJSA-N 0 3 327.406 1.541 20 5 EDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103150914 206398115 /nfs/dbraw/zinc/39/81/15/206398115.db2.gz BDWDQUUDWARESE-HNNXBMFYSA-N 0 3 346.431 1.896 20 5 EDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC[C@H]21 ZINC000247107863 139136001 /nfs/dbraw/zinc/13/60/01/139136001.db2.gz QJZGKCNJYSPJSR-GHMZBOCLSA-N 0 3 345.446 1.761 20 5 EDBDHN CC(C)(C)[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261595994 139209519 /nfs/dbraw/zinc/20/95/19/139209519.db2.gz JOPILSBAEFUGSF-NSHDSACASA-N 0 3 335.813 1.900 20 5 EDBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)Cn3cccn3)CC2)cc1 ZINC000174243459 207002552 /nfs/dbraw/zinc/00/25/52/207002552.db2.gz FEJCGTZQWUBKPG-HNNXBMFYSA-N 0 3 346.387 1.696 20 5 EDBDHN CCc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424230200 252173250 /nfs/dbraw/zinc/17/32/50/252173250.db2.gz ZKWIJAYPWATDLY-LSDHHAIUSA-N 0 3 343.387 1.458 20 5 EDBDHN CCCCN(C)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000112364075 220314727 /nfs/dbraw/zinc/31/47/27/220314727.db2.gz WDGARVUPMYLBLQ-UHFFFAOYSA-N 0 3 345.421 1.614 20 5 EDBDHN CCN(CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263756003 139358125 /nfs/dbraw/zinc/35/81/25/139358125.db2.gz QQDMINBPFFINAL-LBPRGKRZSA-N 0 3 348.403 1.314 20 5 EDBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCN1CCCO ZINC000493450052 255208960 /nfs/dbraw/zinc/20/89/60/255208960.db2.gz LAMRKUSEPVAQJJ-CDNLZTBQSA-N 0 3 333.388 1.571 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000415845065 304280734 /nfs/dbraw/zinc/28/07/34/304280734.db2.gz RNLNOCWIQJKGAM-ZDUSSCGKSA-N 0 3 348.403 1.784 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000488763189 292017406 /nfs/dbraw/zinc/01/74/06/292017406.db2.gz QGIJDBYUJMLOLU-TYNCELHUSA-N 0 3 348.403 1.943 20 5 EDBDHN CN(CCc1cnccn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271325880 140278886 /nfs/dbraw/zinc/27/88/86/140278886.db2.gz KVQMTDBGUZZGOE-OAHLLOKOSA-N 0 3 332.360 1.299 20 5 EDBDHN C[C@@H](NC(=O)NCC1(O)CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271712596 140338170 /nfs/dbraw/zinc/33/81/70/140338170.db2.gz JTFWKIRLCNJBSS-GFCCVEGCSA-N 0 3 336.392 1.412 20 5 EDBDHN Cc1c(NC(=O)CCN2C[C@H]3OCCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000331884212 141093798 /nfs/dbraw/zinc/09/37/98/141093798.db2.gz FLTJVYGYTHVXID-HZPDHXFCSA-N 0 3 348.403 1.247 20 5 EDBDHN CCN1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])c(OC)c3)[C@H]2C1 ZINC000339393275 142035638 /nfs/dbraw/zinc/03/56/38/142035638.db2.gz NUPKRKJLAAPFPS-HOTGVXAUSA-N 0 3 335.404 1.898 20 5 EDBDHN C[C@@H]1C[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000340997018 142538865 /nfs/dbraw/zinc/53/88/65/142538865.db2.gz UWLYASYIIWSLQW-CHWSQXEVSA-N 0 3 335.408 1.789 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])N(C)C1 ZINC000345146108 143057305 /nfs/dbraw/zinc/05/73/05/143057305.db2.gz OGHYIOSTAXWRRI-OLZOCXBDSA-N 0 3 336.392 1.184 20 5 EDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346163035 143173900 /nfs/dbraw/zinc/17/39/00/143173900.db2.gz CTSXLCPGCUDCFO-YDHLFZDLSA-N 0 3 335.408 1.370 20 5 EDBDHN COC(=O)c1cc(CNCCOc2ccc([N+](=O)[O-])cc2)cn1C ZINC000573045522 306609124 /nfs/dbraw/zinc/60/91/24/306609124.db2.gz SCCKQGKECBVNRD-UHFFFAOYSA-N 0 3 333.344 1.889 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355363083 150234973 /nfs/dbraw/zinc/23/49/73/150234973.db2.gz FATDBMYWGXAJFH-CVEARBPZSA-N 0 3 333.388 1.838 20 5 EDBDHN CN(C)CCN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000356294621 150588102 /nfs/dbraw/zinc/58/81/02/150588102.db2.gz JQJUUKKGJYVWQI-UHFFFAOYSA-N 0 3 349.387 1.461 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN1C ZINC000357382384 151013641 /nfs/dbraw/zinc/01/36/41/151013641.db2.gz CFLPTYLEMSRGKR-AAEUAGOBSA-N 0 3 344.375 1.388 20 5 EDBDHN Nc1c(C(=O)Nc2cnc3c(c2)CNCC3)cc(F)cc1[N+](=O)[O-] ZINC000367365067 154089987 /nfs/dbraw/zinc/08/99/87/154089987.db2.gz KOGKVXZLBWZJHO-UHFFFAOYSA-N 0 3 331.307 1.609 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067306130 287244677 /nfs/dbraw/zinc/24/46/77/287244677.db2.gz RQTVAXPXGWQHKA-LBPRGKRZSA-N 0 3 344.375 1.247 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC2CCN(C)CC2)cc1OC ZINC000078378275 287293145 /nfs/dbraw/zinc/29/31/45/287293145.db2.gz OHTASASDJCZTSV-UHFFFAOYSA-N 0 3 337.376 1.826 20 5 EDBDHN COCCCN(C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000266144186 273019513 /nfs/dbraw/zinc/01/95/13/273019513.db2.gz HSFTZYHDKQOYJQ-UHFFFAOYSA-N 0 3 325.365 1.058 20 5 EDBDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000276603226 268450116 /nfs/dbraw/zinc/45/01/16/268450116.db2.gz RJCFGWPQIQAVHZ-VXGBXAGGSA-N 0 3 349.387 1.661 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276059910 273145236 /nfs/dbraw/zinc/14/52/36/273145236.db2.gz KOQSNVCCEJOIGV-ZDUSSCGKSA-N 0 3 334.376 1.462 20 5 EDBDHN C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])s2)CCCO1 ZINC000277520851 273203992 /nfs/dbraw/zinc/20/39/92/273203992.db2.gz LAHQZIDBDOJYJX-NSHDSACASA-N 0 3 327.406 1.887 20 5 EDBDHN CC(C)N(CCn1ccc([N+](=O)[O-])n1)C[C@H](O)COc1ccccc1 ZINC000277681215 273216088 /nfs/dbraw/zinc/21/60/88/273216088.db2.gz BBFUBXVAJYYCOO-HNNXBMFYSA-N 0 3 348.403 1.942 20 5 EDBDHN COC[C@@H]1C[C@H](OC)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000284689273 274295504 /nfs/dbraw/zinc/29/55/04/274295504.db2.gz PUEBMLTZCNHATL-LZWOXQAQSA-N 0 3 340.376 1.070 20 5 EDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C(=O)N1CCCC1 ZINC000343499145 278222081 /nfs/dbraw/zinc/22/20/81/278222081.db2.gz HKJVBJGMJGCFHX-STQMWFEESA-N 0 3 348.403 1.912 20 5 EDBDHN C[C@H]1[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCCN1C ZINC000353281805 280119591 /nfs/dbraw/zinc/11/95/91/280119591.db2.gz LIBVXZHTHSIWIG-VHSXEESVSA-N 0 3 328.394 1.137 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1[NH2+]CCCC1(C)C ZINC000261976899 281262131 /nfs/dbraw/zinc/26/21/31/281262131.db2.gz ZSMMOOXVSBHUEV-CYBMUJFWSA-N 0 3 341.433 1.960 20 5 EDBDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000288244749 288440995 /nfs/dbraw/zinc/44/09/95/288440995.db2.gz SKDUOUMBSTZKQM-QMMMGPOBSA-N 0 3 328.756 1.253 20 5 EDBDHN CO[C@H]1COC[C@@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000289450416 288703347 /nfs/dbraw/zinc/70/33/47/288703347.db2.gz AJMDDDQTXYOELQ-STQMWFEESA-N 0 3 327.312 1.066 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](n3cccn3)C2)c1 ZINC000291741786 289166913 /nfs/dbraw/zinc/16/69/13/289166913.db2.gz JZILOSXPKGRIDZ-HUUCEWRRSA-N 0 3 332.360 1.478 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](O)C[C@@H]1C ZINC000292329541 289317686 /nfs/dbraw/zinc/31/76/86/289317686.db2.gz FZJAKZRJOCMXBV-AAEUAGOBSA-N 0 3 337.376 1.777 20 5 EDBDHN C[C@@H]1C[C@@H]1N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488732874 297306128 /nfs/dbraw/zinc/30/61/28/297306128.db2.gz KTNFQLRHIQNQPD-JMSVASOKSA-N 0 3 332.404 1.860 20 5 EDBDHN CN(C)C[C@@H]1CCCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173061329 302950133 /nfs/dbraw/zinc/95/01/33/302950133.db2.gz FGTRMXUYAIMWEG-AWEZNQCLSA-N 0 3 334.420 1.974 20 5 EDBDHN CC[C@H](CNS(C)(=O)=O)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000295104832 303173922 /nfs/dbraw/zinc/17/39/22/303173922.db2.gz UDCQAUYOCCIKCG-STMXVASLSA-N 0 3 327.406 1.525 20 5 EDBDHN C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295531204 303230784 /nfs/dbraw/zinc/23/07/84/303230784.db2.gz JOJIGPALHXZUPG-CYBMUJFWSA-N 0 3 332.404 1.949 20 5 EDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN(C2CC2)C1 ZINC000295791536 303267563 /nfs/dbraw/zinc/26/75/63/303267563.db2.gz YZPFKNUSIFZPJO-SNVBAGLBSA-N 0 3 336.367 1.872 20 5 EDBDHN Cc1nn(C)c(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)c1[N+](=O)[O-] ZINC000377736781 447329671 /nfs/dbraw/zinc/32/96/71/447329671.db2.gz CKGUMMLQKKYDEJ-KWCYVHTRSA-N 0 3 337.424 1.938 20 5 EDBDHN CN(C)CCNC(=O)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302008465 303707168 /nfs/dbraw/zinc/70/71/68/303707168.db2.gz XDGBTABDRSRQSX-UHFFFAOYSA-N 0 3 326.422 1.551 20 5 EDBDHN CCOCc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000391934214 303851454 /nfs/dbraw/zinc/85/14/54/303851454.db2.gz OADHQBXPORXHKU-INIZCTEOSA-N 0 3 334.376 1.479 20 5 EDBDHN COc1cc(CNC(C)(C)CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000411998902 303948174 /nfs/dbraw/zinc/94/81/74/303948174.db2.gz PDADILPWQWAODG-UHFFFAOYSA-N 0 3 341.383 1.943 20 5 EDBDHN NC(=O)c1ccc(CN2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441275959 305220126 /nfs/dbraw/zinc/22/01/26/305220126.db2.gz IWDSOBLJHRAXKH-ZFWWWQNUSA-N 0 3 333.388 1.942 20 5 EDBDHN CCN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448917611 305304204 /nfs/dbraw/zinc/30/42/04/305304204.db2.gz LAUJFLHXNYLENX-CQSZACIVSA-N 0 3 343.387 1.995 20 5 EDBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1Cl ZINC000452348108 305391017 /nfs/dbraw/zinc/39/10/17/305391017.db2.gz KNKUPUYPLQLZDD-GFCCVEGCSA-N 0 3 341.795 1.825 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000452354333 305392091 /nfs/dbraw/zinc/39/20/91/305392091.db2.gz VQRZFHXUSRZZTF-ZDUSSCGKSA-N 0 3 346.387 1.653 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000535728262 306015342 /nfs/dbraw/zinc/01/53/42/306015342.db2.gz VRWKHEPIRMNQKG-CYBMUJFWSA-N 0 3 343.387 1.852 20 5 EDBDHN Cc1sc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000552028320 306174016 /nfs/dbraw/zinc/17/40/16/306174016.db2.gz VMAPEKXHAUKQGD-CQSZACIVSA-N 0 3 325.390 1.151 20 5 EDBDHN COc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000057712521 441129765 /nfs/dbraw/zinc/12/97/65/441129765.db2.gz RNUYGFGRCQJHQJ-SNVBAGLBSA-N 0 3 337.376 1.825 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C)cc1OC ZINC000080394456 441166912 /nfs/dbraw/zinc/16/69/12/441166912.db2.gz OBVKTSZBJCNKGO-UHFFFAOYSA-N 0 3 325.365 1.636 20 5 EDBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000047270908 441171684 /nfs/dbraw/zinc/17/16/84/441171684.db2.gz DHLGZDLITRZEAD-ZDUSSCGKSA-N 0 3 335.408 1.600 20 5 EDBDHN CC(=O)NC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000050993395 441395000 /nfs/dbraw/zinc/39/50/00/441395000.db2.gz ABNBZIGUYHQQBN-UHFFFAOYSA-N 0 3 348.403 1.832 20 5 EDBDHN CN1CCC[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000108334160 441445395 /nfs/dbraw/zinc/44/53/95/441445395.db2.gz BKUOMTNSTJNGEE-CYBMUJFWSA-N 0 3 343.387 1.852 20 5 EDBDHN CCN1CCC(N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C2CC2)CC1 ZINC000065744354 441481373 /nfs/dbraw/zinc/48/13/73/441481373.db2.gz QEPFIXUSFPMUIA-UHFFFAOYSA-N 0 3 335.408 1.575 20 5 EDBDHN Cc1ccc(CN2CCC(C(=O)NCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000092615636 441813520 /nfs/dbraw/zinc/81/35/20/441813520.db2.gz FAROOKSFCWAJAU-UHFFFAOYSA-N 0 3 348.447 1.793 20 5 EDBDHN CC(C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000173707166 441826761 /nfs/dbraw/zinc/82/67/61/441826761.db2.gz XXXBNFFVTBTGFG-QGZVFWFLSA-N 0 3 348.447 1.526 20 5 EDBDHN Cc1c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122049395 441831100 /nfs/dbraw/zinc/83/11/00/441831100.db2.gz SBARSPYFFGDZLG-CYBMUJFWSA-N 0 3 334.420 1.517 20 5 EDBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122456431 441851642 /nfs/dbraw/zinc/85/16/42/441851642.db2.gz RVDHGVRFGAHMAT-OLZOCXBDSA-N 0 3 339.417 1.700 20 5 EDBDHN NC(=O)c1ccc(CN2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000125283160 442004384 /nfs/dbraw/zinc/00/43/84/442004384.db2.gz NVTYYAZOGABGHI-UHFFFAOYSA-N 0 3 341.371 1.411 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)s1 ZINC000151597633 442090394 /nfs/dbraw/zinc/09/03/94/442090394.db2.gz VUNLNMHCPNMRFB-NSHDSACASA-N 0 3 345.446 1.763 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151619313 442093336 /nfs/dbraw/zinc/09/33/36/442093336.db2.gz OPAHSLIUCHAZKY-CYBMUJFWSA-N 0 3 339.417 1.701 20 5 EDBDHN C[C@@H]1CCCN(CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000079914569 442096795 /nfs/dbraw/zinc/09/67/95/442096795.db2.gz VWJLMNSSRHRHDO-LLVKDONJSA-N 0 3 342.421 1.386 20 5 EDBDHN O=C(CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCOCC1 ZINC000153283952 442273209 /nfs/dbraw/zinc/27/32/09/442273209.db2.gz BDHVLHGJCWOFID-UHFFFAOYSA-N 0 3 333.388 1.808 20 5 EDBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000179716245 442492739 /nfs/dbraw/zinc/49/27/39/442492739.db2.gz PGDZRISVWZZDIO-LBPRGKRZSA-N 0 3 331.376 1.579 20 5 EDBDHN O=C(NCCN1CCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000136019295 442646541 /nfs/dbraw/zinc/64/65/41/442646541.db2.gz HPXVSYAGVDUMTJ-UHFFFAOYSA-N 0 3 343.387 1.996 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000194046287 442836895 /nfs/dbraw/zinc/83/68/95/442836895.db2.gz FDKLXELVBNTWDK-AWEZNQCLSA-N 0 3 348.403 1.234 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000268237548 442912275 /nfs/dbraw/zinc/91/22/75/442912275.db2.gz UGOZWYXURGFSAZ-OTYXRUKQSA-N 0 3 334.332 1.716 20 5 EDBDHN CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000266131423 443028796 /nfs/dbraw/zinc/02/87/96/443028796.db2.gz MQJYOGBVNRWBDQ-OAHLLOKOSA-N 0 3 348.403 1.267 20 5 EDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@H]1CNCCO1 ZINC000269207284 443233349 /nfs/dbraw/zinc/23/33/49/443233349.db2.gz MPNLHFCNYNRLLU-LBPRGKRZSA-N 0 3 327.768 1.585 20 5 EDBDHN [NH3+]C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000382516190 319123837 /nfs/dbraw/zinc/12/38/37/319123837.db2.gz RJTDVSHAJDCEBJ-DTWKUNHWSA-N 0 3 333.797 1.654 20 5 EDBDHN CCN1CC[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000413856055 319294197 /nfs/dbraw/zinc/29/41/97/319294197.db2.gz KHBZERVCAYZXPD-GFCCVEGCSA-N 0 3 336.396 1.232 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191285951 443271766 /nfs/dbraw/zinc/27/17/66/443271766.db2.gz VNLBOASXCCQVGO-UHFFFAOYSA-N 0 3 339.392 1.562 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186038565 443301891 /nfs/dbraw/zinc/30/18/91/443301891.db2.gz WNERUPMBJGFNSL-ZDUSSCGKSA-N 0 3 335.408 1.742 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000267233206 443388136 /nfs/dbraw/zinc/38/81/36/443388136.db2.gz WTUXPCRMXFRVAZ-ZDUSSCGKSA-N 0 3 341.433 1.784 20 5 EDBDHN CCC(CC)(CCO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000282511541 443361432 /nfs/dbraw/zinc/36/14/32/443361432.db2.gz SBISVSUJWIMXGD-UHFFFAOYSA-N 0 3 344.433 1.899 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCOC3)CC2)c2nonc21 ZINC000267397478 443443483 /nfs/dbraw/zinc/44/34/83/443443483.db2.gz OSZHGJOHLFUEFI-LLVKDONJSA-N 0 3 333.348 1.290 20 5 EDBDHN CCN1CCN(CCC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000272958889 443502300 /nfs/dbraw/zinc/50/23/00/443502300.db2.gz RHVKZXRLEVLXNI-UHFFFAOYSA-N 0 3 336.392 1.570 20 5 EDBDHN COC(=O)[C@@H](C)CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039342 443525892 /nfs/dbraw/zinc/52/58/92/443525892.db2.gz OPYOSVOBYHDQOA-RYUDHWBXSA-N 0 3 326.349 1.075 20 5 EDBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286155130 443657632 /nfs/dbraw/zinc/65/76/32/443657632.db2.gz WBKNYGLAXMSVRJ-COXVUDFISA-N 0 3 335.404 1.423 20 5 EDBDHN [NH3+][C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000440352245 320073272 /nfs/dbraw/zinc/07/32/72/320073272.db2.gz FNYQHCGSJNFKMM-SNVBAGLBSA-N 0 3 327.387 1.635 20 5 EDBDHN C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN(C2CC2)C1 ZINC000452568050 320251926 /nfs/dbraw/zinc/25/19/26/320251926.db2.gz GELCWLDSQSGMQW-LBPRGKRZSA-N 0 3 335.408 1.469 20 5 EDBDHN COc1nccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453262503 320261400 /nfs/dbraw/zinc/26/14/00/320261400.db2.gz SRBOPKARBUKZSH-OLZOCXBDSA-N 0 3 332.364 1.863 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(O)CCN(C)CC1 ZINC000276377838 443692958 /nfs/dbraw/zinc/69/29/58/443692958.db2.gz FMJJZRRERDHAOD-UHFFFAOYSA-N 0 3 336.392 1.790 20 5 EDBDHN COCCCN(C)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000276790467 443828731 /nfs/dbraw/zinc/82/87/31/443828731.db2.gz PMJHITLSKRNULV-UHFFFAOYSA-N 0 3 326.353 1.157 20 5 EDBDHN CCOC(=O)[C@@]1(COC)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000281409240 443903273 /nfs/dbraw/zinc/90/32/73/443903273.db2.gz OBMZGNUGXUNGJP-HNNXBMFYSA-N 0 3 340.380 1.083 20 5 EDBDHN COc1cc(CNCC(C)(C)OCCO)c([N+](=O)[O-])cc1OC ZINC000288519310 443906177 /nfs/dbraw/zinc/90/61/77/443906177.db2.gz UOYUJMWCPAVNKA-UHFFFAOYSA-N 0 3 328.365 1.489 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000299522265 444069598 /nfs/dbraw/zinc/06/95/98/444069598.db2.gz PLBUPEUYRVVKLW-CYBMUJFWSA-N 0 3 337.424 1.726 20 5 EDBDHN CN1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281986732 444056244 /nfs/dbraw/zinc/05/62/44/444056244.db2.gz XFZZCHUQEDZOCR-UHFFFAOYSA-N 0 3 335.408 1.742 20 5 EDBDHN CC(C)N1CC[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000567581854 321246710 /nfs/dbraw/zinc/24/67/10/321246710.db2.gz SCUKJQNTSFMRJI-CYBMUJFWSA-N 0 3 334.376 1.522 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCCc3c(F)cccc32)c1 ZINC000567696145 321253838 /nfs/dbraw/zinc/25/38/38/321253838.db2.gz RXJOYIOYQHCKQR-BLLLJJGKSA-N 0 3 334.351 1.959 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000289522477 444164358 /nfs/dbraw/zinc/16/43/58/444164358.db2.gz RQRWCTOLZPOHDK-HNNXBMFYSA-N 0 3 327.388 1.928 20 5 EDBDHN CCN(C)C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301899894 444195835 /nfs/dbraw/zinc/19/58/35/444195835.db2.gz UEPOMCQXUMWEAS-GFCCVEGCSA-N 0 3 341.433 1.776 20 5 EDBDHN COc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301971431 444198583 /nfs/dbraw/zinc/19/85/83/444198583.db2.gz SIQRNFJBWZCLSG-OAHLLOKOSA-N 0 3 348.403 1.522 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN(C)C(C)C ZINC000290266607 444260814 /nfs/dbraw/zinc/26/08/14/444260814.db2.gz DJSZHFRWYJMGBE-GFCCVEGCSA-N 0 3 336.392 1.687 20 5 EDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302822788 444225959 /nfs/dbraw/zinc/22/59/59/444225959.db2.gz SXANPVMZKARQIB-AWEZNQCLSA-N 0 3 336.367 1.477 20 5 EDBDHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290834147 444328271 /nfs/dbraw/zinc/32/82/71/444328271.db2.gz NCHARLJAPGRRDK-LBPRGKRZSA-N 0 3 336.392 1.770 20 5 EDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000340580654 444448784 /nfs/dbraw/zinc/44/87/84/444448784.db2.gz IVPONNDHJGLZQF-HNNXBMFYSA-N 0 3 343.387 1.947 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H](CO)c2cccnc2)c1 ZINC000580075132 322006481 /nfs/dbraw/zinc/00/64/81/322006481.db2.gz VHFVEMUHZSQKAC-GDBMZVCRSA-N 0 3 347.371 1.095 20 5 EDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C2CCOCC2)C[C@H]1C ZINC000340853988 444544626 /nfs/dbraw/zinc/54/46/26/444544626.db2.gz KJZGZIJYZWKGNA-GFCCVEGCSA-N 0 3 337.424 1.809 20 5 EDBDHN COCC1(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCC1 ZINC000341216952 444734475 /nfs/dbraw/zinc/73/44/75/444734475.db2.gz WIPKXQNJJUXBBV-UHFFFAOYSA-N 0 3 338.360 1.805 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]C(C)(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000336867251 444811004 /nfs/dbraw/zinc/81/10/04/444811004.db2.gz QFWQLMOFIOPSQY-UHFFFAOYSA-N 0 3 331.394 1.399 20 5 EDBDHN CN(C)Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc1 ZINC000344430508 444965710 /nfs/dbraw/zinc/96/57/10/444965710.db2.gz CSIQRVGLGOLIRO-UHFFFAOYSA-N 0 3 342.403 1.773 20 5 EDBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343149620 445098036 /nfs/dbraw/zinc/09/80/36/445098036.db2.gz HYTVQZVOUDJIFC-DGCLKSJQSA-N 0 3 329.360 1.883 20 5 EDBDHN O=C(CN1CCCC1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343641514 445277567 /nfs/dbraw/zinc/27/75/67/445277567.db2.gz JVEKHXVGLOPING-UHFFFAOYSA-N 0 3 332.404 1.335 20 5 EDBDHN C[C@@H](C(=O)NCC1(O)CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000349192175 445531086 /nfs/dbraw/zinc/53/10/86/445531086.db2.gz ATRDCCZLWIJUSH-LLVKDONJSA-N 0 3 339.367 1.410 20 5 EDBDHN CN1CCC[C@H](N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363180066 445709656 /nfs/dbraw/zinc/70/96/56/445709656.db2.gz WVDOOZPMGSIHLD-SFHVURJKSA-N 0 3 332.448 1.849 20 5 EDBDHN COc1c(C(=O)NC[C@@H](O)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000356448561 445794765 /nfs/dbraw/zinc/79/47/65/445794765.db2.gz RTAFSFMQQBRJEB-GFCCVEGCSA-N 0 3 337.376 1.180 20 5 EDBDHN Cc1ccnc(N2CCC[C@@H](CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000361832116 445988382 /nfs/dbraw/zinc/98/83/82/445988382.db2.gz ZRASEGOCBDZQBW-HNNXBMFYSA-N 0 3 333.436 1.762 20 5 EDBDHN CC[C@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(N)=O ZINC000351269227 446022885 /nfs/dbraw/zinc/02/28/85/446022885.db2.gz LSSZLRZDOHCIPA-HNNXBMFYSA-N 0 3 338.364 1.176 20 5 EDBDHN CN1CC[C@@]2(CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000583600463 326101400 /nfs/dbraw/zinc/10/14/00/326101400.db2.gz ISINEQGKBKTMGN-QGZVFWFLSA-N 0 3 348.403 1.711 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583607250 326103191 /nfs/dbraw/zinc/10/31/91/326103191.db2.gz OUOAOZWASIEMKE-CZUORRHYSA-N 0 3 335.404 1.925 20 5 EDBDHN Nc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366201400 446079679 /nfs/dbraw/zinc/07/96/79/446079679.db2.gz LYPYLULSHDFXAK-ZDUSSCGKSA-N 0 3 334.376 1.160 20 5 EDBDHN CCO[C@H]1COCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000362024278 446161033 /nfs/dbraw/zinc/16/10/33/446161033.db2.gz JJFTZCMWIXKHQZ-GJZGRUSLSA-N 0 3 337.376 1.341 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC12CC[NH2+]CC2 ZINC000366356272 446169998 /nfs/dbraw/zinc/16/99/98/446169998.db2.gz GQIWXOPRZBQXRD-GFCCVEGCSA-N 0 3 325.390 1.324 20 5 EDBDHN NC(=O)c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373298763 446151885 /nfs/dbraw/zinc/15/18/85/446151885.db2.gz KFIHVLVYKZZEMQ-UHFFFAOYSA-N 0 3 329.360 1.727 20 5 EDBDHN NC(=O)c1ncn([C@@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000370429538 446274515 /nfs/dbraw/zinc/27/45/15/446274515.db2.gz BDRXHTQFADLCKU-CQSZACIVSA-N 0 3 344.375 1.165 20 5 EDBDHN CCOC(=O)c1ccnc(N2CCNC[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000420258357 446435959 /nfs/dbraw/zinc/43/59/59/446435959.db2.gz GCQNFBRJIUYMSO-AWEZNQCLSA-N 0 3 326.328 1.304 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCO[C@@H]2CCC[C@H]21 ZINC000366929922 446414780 /nfs/dbraw/zinc/41/47/80/446414780.db2.gz NIRUPWMPNPPDEH-SQWLQELKSA-N 0 3 336.388 1.978 20 5 EDBDHN CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](CN)C1CC1 ZINC000420306783 446469615 /nfs/dbraw/zinc/46/96/15/446469615.db2.gz BKTFBCIMZVDJIA-CQSZACIVSA-N 0 3 327.406 1.038 20 5 EDBDHN COC1([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000453125042 446544963 /nfs/dbraw/zinc/54/49/63/446544963.db2.gz SRZWQDBKSCJCKP-GFCCVEGCSA-N 0 3 337.376 1.707 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000619254652 450435299 /nfs/dbraw/zinc/43/52/99/450435299.db2.gz OMPDMWFBFOIAOL-OAHLLOKOSA-N 0 3 325.340 1.263 20 5 EDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(C)CCC1 ZINC000420970611 446940535 /nfs/dbraw/zinc/94/05/35/446940535.db2.gz GDCLPBTYFKYMJN-UHFFFAOYSA-N 0 3 341.433 1.995 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCCN1C ZINC000420999816 446976585 /nfs/dbraw/zinc/97/65/85/446976585.db2.gz JTUONFWHKKMNSR-ZDUSSCGKSA-N 0 3 336.392 1.568 20 5 EDBDHN COc1ccc(NC(=O)CN(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000421016639 446987404 /nfs/dbraw/zinc/98/74/04/446987404.db2.gz YNQZRLOVFTYAHN-LBPRGKRZSA-N 0 3 336.392 1.568 20 5 EDBDHN CCCN(CCN1CCN(CC)CC1)c1ncc([N+](=O)[O-])cc1F ZINC000413290907 447118841 /nfs/dbraw/zinc/11/88/41/447118841.db2.gz BCJUNBYOFHGKSO-UHFFFAOYSA-N 0 3 339.415 1.983 20 5 EDBDHN COc1cc(CN2CC[C@H](c3nc[nH]n3)C2)c([N+](=O)[O-])cc1OC ZINC000425348713 447123599 /nfs/dbraw/zinc/12/35/99/447123599.db2.gz CIJTVXHFJQBLAZ-JTQLQIEISA-N 0 3 333.348 1.720 20 5 EDBDHN CN1C[C@@H]2CCCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[C@@H]2C1 ZINC000425286035 447096751 /nfs/dbraw/zinc/09/67/51/447096751.db2.gz POCNPBRSNVXNAQ-IINYFYTJSA-N 0 3 329.360 1.774 20 5 EDBDHN CNc1nc(C(=O)NC[C@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000456036875 447287787 /nfs/dbraw/zinc/28/77/87/447287787.db2.gz KNMRDPLDTDIFNN-GFCCVEGCSA-N 0 3 333.392 1.778 20 5 EDBDHN C[C@@H](CN1CCN(C)CC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450316583 447451985 /nfs/dbraw/zinc/45/19/85/447451985.db2.gz HSMDWGPASHHANY-ZDUSSCGKSA-N 0 3 329.404 2.191 20 5 EDBDHN CN1CC=C(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000450419798 447484265 /nfs/dbraw/zinc/48/42/65/447484265.db2.gz PEGAMANDIDYEBX-UHFFFAOYSA-N 0 3 341.371 1.772 20 5 EDBDHN Cc1nn(CCC(=O)N(C)[C@@H]2CCN(C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000457119179 447524614 /nfs/dbraw/zinc/52/46/14/447524614.db2.gz NFESVAXICJDYCR-CQSZACIVSA-N 0 3 337.424 1.739 20 5 EDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420058587 447574158 /nfs/dbraw/zinc/57/41/58/447574158.db2.gz FNZDBCXBDDCWGM-CQSZACIVSA-N 0 3 348.403 1.187 20 5 EDBDHN CN(C)CCN(Cc1ccsc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000458207779 447745101 /nfs/dbraw/zinc/74/51/01/447745101.db2.gz WRGKXDFNFXMUQQ-UHFFFAOYSA-N 0 3 337.405 1.443 20 5 EDBDHN O=[N+]([O-])c1cccc(CNCC2(N3CCOCC3)CCOCC2)c1 ZINC000459725246 447753678 /nfs/dbraw/zinc/75/36/78/447753678.db2.gz ZMLHPLCGBNJDAH-UHFFFAOYSA-N 0 3 335.404 1.566 20 5 EDBDHN CCOC(=O)[C@@H]1NCC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039635 447796332 /nfs/dbraw/zinc/79/63/32/447796332.db2.gz FUKJGXVGMWEMGC-TZMCWYRMSA-N 0 3 341.795 1.674 20 5 EDBDHN COC(=O)Nc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000496776284 447902998 /nfs/dbraw/zinc/90/29/98/447902998.db2.gz JGNXXGSGYVUUNT-CQSZACIVSA-N 0 3 349.347 1.120 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000525804978 448028551 /nfs/dbraw/zinc/02/85/51/448028551.db2.gz ZOTLTYMUXFVELP-ZDUSSCGKSA-N 0 3 348.403 1.173 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc3c(c2)OCCCO3)c1 ZINC000570837032 448073227 /nfs/dbraw/zinc/07/32/27/448073227.db2.gz NNZQVHRCCSQKSF-CQSZACIVSA-N 0 3 348.359 1.103 20 5 EDBDHN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC12CCCCC2 ZINC000576766133 448135079 /nfs/dbraw/zinc/13/50/79/448135079.db2.gz OHVUHXKLPSKFMJ-UHFFFAOYSA-N 0 3 334.420 1.707 20 5 EDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CNCCC1(F)F ZINC000591671811 448442102 /nfs/dbraw/zinc/44/21/02/448442102.db2.gz LILYTKNBGBKKMT-SNVBAGLBSA-N 0 3 328.319 1.368 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H]2OCCc3ccccc32)c1 ZINC000591739703 448477329 /nfs/dbraw/zinc/47/73/29/448477329.db2.gz UUBYSOFTGVSLQT-HOCLYGCPSA-N 0 3 332.360 1.056 20 5 EDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H](C)S(C)(=O)=O ZINC000537944104 448575251 /nfs/dbraw/zinc/57/52/51/448575251.db2.gz NONCKDDXSXBLCW-MNOVXSKESA-N 0 3 343.405 1.335 20 5 EDBDHN COCCN(C)C[C@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000567752616 448752301 /nfs/dbraw/zinc/75/23/01/448752301.db2.gz QGSHTAVFHJVCKQ-HNNXBMFYSA-N 0 3 334.376 1.397 20 5 EDBDHN COc1ccc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592522667 448876338 /nfs/dbraw/zinc/87/63/38/448876338.db2.gz DYMHOTMRTQTFGL-LBPRGKRZSA-N 0 3 336.392 1.155 20 5 EDBDHN Cc1nn(C)cc1[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579891799 448902692 /nfs/dbraw/zinc/90/26/92/448902692.db2.gz HUONUQXIYOHJDQ-DGCLKSJQSA-N 0 3 334.376 1.727 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1c2ccccc2C[C@H]1O ZINC000579958598 448922233 /nfs/dbraw/zinc/92/22/33/448922233.db2.gz KTTIONQPKOTFFV-QBIMZIAESA-N 0 3 344.367 1.582 20 5 EDBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@@H](O)C(F)(F)F)OCCO2 ZINC000589196554 448986521 /nfs/dbraw/zinc/98/65/21/448986521.db2.gz MJKXEUVNTZQIGM-GFCCVEGCSA-N 0 3 336.266 1.769 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548089412 448981679 /nfs/dbraw/zinc/98/16/79/448981679.db2.gz JWTOKKHCDWGBSZ-BXUZGUMPSA-N 0 3 329.360 1.568 20 5 EDBDHN C[C@@H](CCO)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000521624850 449003518 /nfs/dbraw/zinc/00/35/18/449003518.db2.gz DCUJDLKZKQAVLS-GFCCVEGCSA-N 0 3 330.406 1.367 20 5 EDBDHN COc1ccc(C(=O)N2CCOC3(CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000592899885 449043425 /nfs/dbraw/zinc/04/34/25/449043425.db2.gz VHMFNGVWGWRGFD-UHFFFAOYSA-N 0 3 349.387 1.540 20 5 EDBDHN CN(CCN1CCCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000522160642 449057283 /nfs/dbraw/zinc/05/72/83/449057283.db2.gz ZEUMHUXAUCHXGL-UHFFFAOYSA-N 0 3 336.392 1.711 20 5 EDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597859650 449126599 /nfs/dbraw/zinc/12/65/99/449126599.db2.gz WXZSTYDGRRUYCS-AWEZNQCLSA-N 0 3 348.403 1.314 20 5 EDBDHN COc1cc(CNCC[C@@]2(O)CCOC2)c([N+](=O)[O-])cc1OC ZINC000593671819 449141998 /nfs/dbraw/zinc/14/19/98/449141998.db2.gz UOZAKGFLROJURK-OAHLLOKOSA-N 0 3 326.349 1.243 20 5 EDBDHN CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598038679 449207301 /nfs/dbraw/zinc/20/73/01/449207301.db2.gz GGUSGAJXAYNMGX-CQSZACIVSA-N 0 3 334.420 1.974 20 5 EDBDHN CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598038678 449207522 /nfs/dbraw/zinc/20/75/22/449207522.db2.gz GGUSGAJXAYNMGX-AWEZNQCLSA-N 0 3 334.420 1.974 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000590563014 449192248 /nfs/dbraw/zinc/19/22/48/449192248.db2.gz OLEBTRQDBBTSBS-UHFFFAOYSA-N 0 3 332.404 1.223 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000604511329 449241576 /nfs/dbraw/zinc/24/15/76/449241576.db2.gz WLHNXJOCUXYNBK-UHFFFAOYSA-N 0 3 333.348 1.614 20 5 EDBDHN COc1cc(CCNC(=O)CNC(C)C)c([N+](=O)[O-])cc1OC ZINC000595923267 449255544 /nfs/dbraw/zinc/25/55/44/449255544.db2.gz XDBOCCIALTWROL-UHFFFAOYSA-N 0 3 325.365 1.269 20 5 EDBDHN O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CCCN(CCCO)C3)c2c1 ZINC000590708739 449255865 /nfs/dbraw/zinc/25/58/65/449255865.db2.gz IQCDSTODEVVDIC-GFCCVEGCSA-N 0 3 331.376 1.797 20 5 EDBDHN COCCN(C)CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593410192 449270191 /nfs/dbraw/zinc/27/01/91/449270191.db2.gz LGMWYGJJVUUPAF-UHFFFAOYSA-N 0 3 327.356 1.361 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000598266412 449324184 /nfs/dbraw/zinc/32/41/84/449324184.db2.gz XQABBGOLGRBGDF-ZDUSSCGKSA-N 0 3 337.424 1.726 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cnccc2C(F)(F)F)c1 ZINC000596070179 449347323 /nfs/dbraw/zinc/34/73/23/449347323.db2.gz PFDSECANAZYVNM-NSHDSACASA-N 0 3 345.281 1.356 20 5 EDBDHN CC(C)(NC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000602112448 449355222 /nfs/dbraw/zinc/35/52/22/449355222.db2.gz HULLVSNRSZKDLF-CABCVRRESA-N 0 3 333.388 1.809 20 5 EDBDHN Cn1cc(CNC[C@H]2CCCNC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590971932 449364907 /nfs/dbraw/zinc/36/49/07/449364907.db2.gz XNDZYNMLPHATEL-CYBMUJFWSA-N 0 3 343.387 1.611 20 5 EDBDHN C[NH+]1CCC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593538357 449333849 /nfs/dbraw/zinc/33/38/49/449333849.db2.gz LYNMXZAXPPQKES-UHFFFAOYSA-N 0 3 328.394 1.000 20 5 EDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594228820 449400571 /nfs/dbraw/zinc/40/05/71/449400571.db2.gz FPVNFBNMRQVLFL-KBPBESRZSA-N 0 3 336.396 1.107 20 5 EDBDHN C[C@H]1CN(CCCNc2c(Cl)cncc2[N+](=O)[O-])CCCO1 ZINC000596207353 449413967 /nfs/dbraw/zinc/41/39/67/449413967.db2.gz DHEQMRIALHFLPY-NSHDSACASA-N 0 3 328.800 1.978 20 5 EDBDHN C[C@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N(C)C1CC1 ZINC000598593083 449480984 /nfs/dbraw/zinc/48/09/84/449480984.db2.gz PHPJZCVDPJPOMO-LLVKDONJSA-N 0 3 336.396 1.116 20 5 EDBDHN CCCN1CC[C@H](Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])C1 ZINC000596515996 449537460 /nfs/dbraw/zinc/53/74/60/449537460.db2.gz BKAHAGAZLRMVOZ-NSHDSACASA-N 0 3 342.421 1.399 20 5 EDBDHN CN(C)C[C@@H]1CCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598896889 449635919 /nfs/dbraw/zinc/63/59/19/449635919.db2.gz QZWIIIVQSKAUBH-AWEZNQCLSA-N 0 3 349.391 1.269 20 5 EDBDHN CS[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000602809327 449824306 /nfs/dbraw/zinc/82/43/06/449824306.db2.gz PQDAGONOEJOCEK-STQMWFEESA-N 0 3 325.438 1.340 20 5 EDBDHN CCN(CC)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601279833 449794089 /nfs/dbraw/zinc/79/40/89/449794089.db2.gz BLNLPUPZVHTJLQ-UHFFFAOYSA-N 0 3 333.385 1.662 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)c([N+](=O)[O-])s1 ZINC000601419513 449936526 /nfs/dbraw/zinc/93/65/26/449936526.db2.gz MPZIVLQZGIDXRL-CYBMUJFWSA-N 0 3 345.446 1.681 20 5 EDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000602959774 449960317 /nfs/dbraw/zinc/96/03/17/449960317.db2.gz GPGFGKVRNISOAH-OLZOCXBDSA-N 0 3 333.392 1.811 20 5 EDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599626436 450114017 /nfs/dbraw/zinc/11/40/17/450114017.db2.gz VWPYAWKRRVKDGX-UUIJZJDISA-N 0 3 342.417 1.770 20 5 EDBDHN O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461892 450157809 /nfs/dbraw/zinc/15/78/09/450157809.db2.gz QKHSUJXOOVNXIA-YUELXQCFSA-N 0 3 347.419 1.876 20 5 EDBDHN COc1ccc(OCCn2cc(CCN(C)C)nn2)c([N+](=O)[O-])c1 ZINC000603229758 450159968 /nfs/dbraw/zinc/15/99/68/450159968.db2.gz NVNZCSMTNHMSBE-UHFFFAOYSA-N 0 3 335.364 1.378 20 5 EDBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN(C)C ZINC000597653165 450173411 /nfs/dbraw/zinc/17/34/11/450173411.db2.gz HLUWLICLBJKYTQ-NSHDSACASA-N 0 3 341.433 1.749 20 5 EDBDHN CN1CCC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000618366885 450175407 /nfs/dbraw/zinc/17/54/07/450175407.db2.gz WTBOMZDFHJMGJN-SNVBAGLBSA-N 0 3 332.364 1.365 20 5 EDBDHN C[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601645063 450137531 /nfs/dbraw/zinc/13/75/31/450137531.db2.gz WGCAWJDHWXEQQM-XJKSGUPXSA-N 0 3 335.404 1.661 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595501345 450190119 /nfs/dbraw/zinc/19/01/19/450190119.db2.gz OKZIVLJSLBMFBO-CYBMUJFWSA-N 0 3 336.392 1.757 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCN([C@H]4CCC[C@@H]4O)CC3)nc2c1 ZINC000618584711 450252911 /nfs/dbraw/zinc/25/29/11/450252911.db2.gz HFPWOVDQBVEURB-GJZGRUSLSA-N 0 3 331.376 1.507 20 5 EDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN(C)C(C)C ZINC000619498522 450492716 /nfs/dbraw/zinc/49/27/16/450492716.db2.gz UMQJWMWDSKSENA-UHFFFAOYSA-N 0 3 331.394 1.222 20 5 EDBDHN CCOC1CC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000271810403 535760604 /nfs/dbraw/zinc/76/06/04/535760604.db2.gz NDPGLNXEOFLRHE-UHFFFAOYSA-N 0 3 343.405 1.030 20 5 EDBDHN CN(C)CCSCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000339742529 535920195 /nfs/dbraw/zinc/92/01/95/535920195.db2.gz MJPNYPINZTWUMV-UHFFFAOYSA-N 0 3 327.362 1.557 20 5 EDBDHN CN1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000248141005 536454390 /nfs/dbraw/zinc/45/43/90/536454390.db2.gz YNFBDPZFJRCWIV-CZUORRHYSA-N 0 3 329.360 1.353 20 5 EDBDHN COCCN(C)CCCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271702254 536789468 /nfs/dbraw/zinc/78/94/68/536789468.db2.gz NSZHBLFOEJWKLY-CYBMUJFWSA-N 0 3 338.408 1.923 20 5 EDBDHN CN1CCN(CCCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000729316949 578563589 /nfs/dbraw/zinc/56/35/89/578563589.db2.gz PQFBTPSLSRQWIC-UHFFFAOYSA-N 0 3 338.383 1.491 20 5 EDBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729497532 578577750 /nfs/dbraw/zinc/57/77/50/578577750.db2.gz PSROOJGULFVAFN-UONOGXRCSA-N 0 3 334.376 1.257 20 5 EDBDHN NC(=O)Cc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678044 578678506 /nfs/dbraw/zinc/67/85/06/578678506.db2.gz FTXZZLTZCOYCOR-INIZCTEOSA-N 0 3 329.356 1.446 20 5 EDBDHN Cc1nn(C)c(C(=O)N(C)Cc2ccc(CN(C)C)cc2)c1[N+](=O)[O-] ZINC000777522381 580443257 /nfs/dbraw/zinc/44/32/57/580443257.db2.gz VGAPYMRVLRLZGN-UHFFFAOYSA-N 0 3 345.403 1.971 20 5 EDBDHN CC(C)N(CCN(C)C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000749019197 579710427 /nfs/dbraw/zinc/71/04/27/579710427.db2.gz LQROMYYJGHGQNG-UHFFFAOYSA-N 0 3 333.392 1.743 20 5 EDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768841345 580221982 /nfs/dbraw/zinc/22/19/82/580221982.db2.gz GACROTXMGFGLRK-MWLCHTKSSA-N 0 3 333.435 1.617 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000770174172 580254978 /nfs/dbraw/zinc/25/49/78/580254978.db2.gz SPSKDLBRDGVIEI-GFCCVEGCSA-N 0 3 338.383 1.490 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1C ZINC000781989265 580562700 /nfs/dbraw/zinc/56/27/00/580562700.db2.gz FZINRLKRJFMQSB-BFQNTYOBSA-N 0 3 346.387 1.687 20 5 EDBDHN C[C@H]1CCCN1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000783921072 580608431 /nfs/dbraw/zinc/60/84/31/580608431.db2.gz QTXPGSAWAAMXEH-ZDUSSCGKSA-N 0 3 343.387 1.995 20 5 EDBDHN C[C@@H]1[C@H](Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CCN1C ZINC000895739152 591262364 /nfs/dbraw/zinc/26/23/64/591262364.db2.gz BWBCVKNNWXVPEM-TZMCWYRMSA-N 0 3 348.403 1.572 20 5 EDBDHN COc1cc([C@H](C)N[C@H]2CCc3c(nnn3C)C2)cc([N+](=O)[O-])c1 ZINC000903197201 592133989 /nfs/dbraw/zinc/13/39/89/592133989.db2.gz WNBVLEONVRCRTC-JQWIXIFHSA-N 0 3 331.376 1.940 20 5 EDBDHN C[C@@H](CN[C@H]1C(=O)NCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000903244685 592143638 /nfs/dbraw/zinc/14/36/38/592143638.db2.gz BCNTXZWTQAFQAS-WFASDCNBSA-N 0 3 333.388 1.583 20 5 EDBDHN COC[C@@H]1CNCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903875928 592356317 /nfs/dbraw/zinc/35/63/17/592356317.db2.gz UBKHESDNZXSNSX-NSHDSACASA-N 0 3 342.783 1.107 20 5 EDBDHN CCNc1ccc(C(=O)NC[C@H](CN(C)C)OCC)cc1[N+](=O)[O-] ZINC000906372074 592807648 /nfs/dbraw/zinc/80/76/48/592807648.db2.gz BBURGXNVPMQXFY-CYBMUJFWSA-N 0 3 338.408 1.723 20 5 EDBDHN CC1(C)CNCCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000911844419 593025013 /nfs/dbraw/zinc/02/50/13/593025013.db2.gz FYOYJZIQAHDHHG-CQSZACIVSA-N 0 3 332.360 1.298 20 5 EDBDHN CN1CCC(N(CCO)C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000911935577 593039259 /nfs/dbraw/zinc/03/92/59/593039259.db2.gz WNSXFZLZMNXUFW-UHFFFAOYSA-N 0 3 325.340 1.263 20 5 EDBDHN CN1CCC(N(CCO)C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000911938619 593039916 /nfs/dbraw/zinc/03/99/16/593039916.db2.gz JMMOHQKCECCYCW-UHFFFAOYSA-N 0 3 325.340 1.263 20 5 EDBDHN CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736856581 593042755 /nfs/dbraw/zinc/04/27/55/593042755.db2.gz KRSQZSZFFAZACO-NSHDSACASA-N 0 3 331.380 1.553 20 5 EDBDHN CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736856581 593042756 /nfs/dbraw/zinc/04/27/56/593042756.db2.gz KRSQZSZFFAZACO-NSHDSACASA-N 0 3 331.380 1.553 20 5 EDBDHN CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736856581 593042757 /nfs/dbraw/zinc/04/27/57/593042757.db2.gz KRSQZSZFFAZACO-NSHDSACASA-N 0 3 331.380 1.553 20 5 EDBDHN CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736856581 593042758 /nfs/dbraw/zinc/04/27/58/593042758.db2.gz KRSQZSZFFAZACO-NSHDSACASA-N 0 3 331.380 1.553 20 5 EDBDHN NC(=O)c1ccnc(NC2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000811726334 593477104 /nfs/dbraw/zinc/47/71/04/593477104.db2.gz YXTHDPXUEAWAQB-GFCCVEGCSA-N 0 3 349.391 1.144 20 5 EDBDHN CSc1cccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c1 ZINC000813108411 593518029 /nfs/dbraw/zinc/51/80/29/593518029.db2.gz YCWVGDGUEYIUGE-MNOVXSKESA-N 0 3 338.385 1.970 20 5 EDBDHN CC(COC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O)[N+](=O)[O-] ZINC000813112112 593518487 /nfs/dbraw/zinc/51/84/87/593518487.db2.gz ZXJNZRDIBRIRHY-BMIGLBTASA-N 0 3 341.364 1.086 20 5 EDBDHN CC(COC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)[N+](=O)[O-] ZINC000813112517 593518882 /nfs/dbraw/zinc/51/88/82/593518882.db2.gz ROZMZHYNBUQEAR-QMMMGPOBSA-N 0 3 327.724 1.692 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)[C@H]2C1 ZINC000816953587 593563160 /nfs/dbraw/zinc/56/31/60/593563160.db2.gz JYCOWTZEHXAEKE-PELKAZGASA-N 0 3 333.373 1.376 20 5 EDBDHN CN(C[C@H]1CCCN1C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000817490675 593607487 /nfs/dbraw/zinc/60/74/87/593607487.db2.gz IEFZGTKSAQFGAF-CQSZACIVSA-N 0 3 331.376 1.497 20 5 EDBDHN Cc1c(C(=O)N(C)C[C@@H]2CCCN2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000817490539 593607598 /nfs/dbraw/zinc/60/75/98/593607598.db2.gz RGJJRWYMTQNMGN-NSHDSACASA-N 0 3 336.348 1.978 20 5 EDBDHN CC(C)(C)[S@@](=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819056164 593736145 /nfs/dbraw/zinc/73/61/45/593736145.db2.gz JDNYTURPIUDGRP-MYODQAERSA-N 0 3 344.433 1.471 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000819230385 593745794 /nfs/dbraw/zinc/74/57/94/593745794.db2.gz VCVYHDJLFHMLQP-NXOAAHMSSA-N 0 3 336.388 1.944 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000819718636 593764972 /nfs/dbraw/zinc/76/49/72/593764972.db2.gz GKJFUGDRHPGIRS-TVQRCGJNSA-N 0 3 347.400 1.766 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000823728328 593843711 /nfs/dbraw/zinc/84/37/11/593843711.db2.gz XATUBZBEJABFGA-LBPRGKRZSA-N 0 3 325.340 1.311 20 5 EDBDHN CN(CC[C@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821598980 593875864 /nfs/dbraw/zinc/87/58/64/593875864.db2.gz ATSDNSOACCGONS-LLVKDONJSA-N 0 3 346.395 1.481 20 5 EDBDHN CN(CC[C@H]1CCCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821598980 593875867 /nfs/dbraw/zinc/87/58/67/593875867.db2.gz ATSDNSOACCGONS-LLVKDONJSA-N 0 3 346.395 1.481 20 5 EDBDHN CN(CC[C@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821598980 593875868 /nfs/dbraw/zinc/87/58/68/593875868.db2.gz ATSDNSOACCGONS-LLVKDONJSA-N 0 3 346.395 1.481 20 5 EDBDHN CN(CC[C@H]1CCCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821598980 593875871 /nfs/dbraw/zinc/87/58/71/593875871.db2.gz ATSDNSOACCGONS-LLVKDONJSA-N 0 3 346.395 1.481 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000822483364 594055489 /nfs/dbraw/zinc/05/54/89/594055489.db2.gz BKTXQGACOVIZMH-KRWDZBQOSA-N 0 3 335.404 1.740 20 5 EDBDHN O=[N+]([O-])c1cnc(NCCC[NH+]2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000823651945 594224821 /nfs/dbraw/zinc/22/48/21/594224821.db2.gz SJIVPJIXDNVUCR-UHFFFAOYSA-N 0 3 332.368 1.458 20 5 EDBDHN O=[N+]([O-])c1cnc(NCCC[NH+]2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000823651945 594224822 /nfs/dbraw/zinc/22/48/22/594224822.db2.gz SJIVPJIXDNVUCR-UHFFFAOYSA-N 0 3 332.368 1.458 20 5 EDBDHN CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)CN(C)C ZINC000831770607 594701447 /nfs/dbraw/zinc/70/14/47/594701447.db2.gz AVQFCMPRJMRXFC-CYBMUJFWSA-N 0 3 338.408 1.357 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NOCCN(C)C)cc1OC ZINC000833859433 594951042 /nfs/dbraw/zinc/95/10/42/594951042.db2.gz JBKBSQKXXPFTSI-UHFFFAOYSA-N 0 3 327.337 1.225 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000834563473 595163093 /nfs/dbraw/zinc/16/30/93/595163093.db2.gz CDLTWHGKQOBZFM-HNNXBMFYSA-N 0 3 341.795 1.777 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000844094507 595270426 /nfs/dbraw/zinc/27/04/26/595270426.db2.gz CCIIDGWDYYQINC-QPJJXVBHSA-N 0 3 345.399 1.931 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H](O)c2ccsc2)c1 ZINC000843081318 595282328 /nfs/dbraw/zinc/28/23/28/595282328.db2.gz BEOGQCVODQZQHG-DZGCQCFKSA-N 0 3 338.385 1.719 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000843117595 595290941 /nfs/dbraw/zinc/29/09/41/595290941.db2.gz QZFSBENLLAPGGC-BFYDXBDKSA-N 0 3 330.340 1.712 20 5 EDBDHN COC(=O)[C@H]1CNCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843123647 595292335 /nfs/dbraw/zinc/29/23/35/595292335.db2.gz MECDYBFPCUIFTK-CYBMUJFWSA-N 0 3 327.768 1.585 20 5 EDBDHN C[C@@H]1COCCN1C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846910971 595336446 /nfs/dbraw/zinc/33/64/46/595336446.db2.gz FXJQSXAWBIMPTF-RDTXWAMCSA-N 0 3 349.431 1.813 20 5 EDBDHN CN(C[C@H]1CCCN1C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490276 595394658 /nfs/dbraw/zinc/39/46/58/595394658.db2.gz YITQRSBDYWBDJW-SJORKVTESA-N 0 3 346.431 1.894 20 5 EDBDHN O=C([N-][C@H]1CC12CC[NH2+]CC2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857763244 595599006 /nfs/dbraw/zinc/59/90/06/595599006.db2.gz RPYSFMLDTFGMIZ-LBPRGKRZSA-N 0 3 341.314 1.825 20 5 EDBDHN CN(C)[C@H]1CCc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000857933205 595657415 /nfs/dbraw/zinc/65/74/15/595657415.db2.gz XEBJUQLAYYONBR-AWEZNQCLSA-N 0 3 343.387 1.701 20 5 EDBDHN CN(C)CC1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000853651656 595847063 /nfs/dbraw/zinc/84/70/63/595847063.db2.gz KBGUYQAQYQUKGN-UHFFFAOYSA-N 0 3 349.359 1.589 20 5 EDBDHN CC(C)CN1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870869094 596384252 /nfs/dbraw/zinc/38/42/52/596384252.db2.gz ZQLOTQXIHPZKOU-KRWDZBQOSA-N 0 3 334.420 1.569 20 5 EDBDHN O=[N+]([O-])c1cc(CO)c(N2CCN(c3ccncc3)CC2)cc1F ZINC000865415185 596567855 /nfs/dbraw/zinc/56/78/55/596567855.db2.gz HQDGKVQRXMLTQW-UHFFFAOYSA-N 0 3 332.335 1.948 20 5 EDBDHN CCN1CCN(CCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865437434 596574937 /nfs/dbraw/zinc/57/49/37/596574937.db2.gz LWSFJOYJIDQWAY-UHFFFAOYSA-N 0 3 326.372 1.276 20 5 EDBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000869780618 596631940 /nfs/dbraw/zinc/63/19/40/596631940.db2.gz MODFQLIEJNWVCG-LBPRGKRZSA-N 0 3 341.795 1.823 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000868283890 596764413 /nfs/dbraw/zinc/76/44/13/596764413.db2.gz JWJKKFLDHFFWBL-CQSZACIVSA-N 0 3 336.392 1.423 20 5 EDBDHN CNC(=O)CN1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872022701 596797504 /nfs/dbraw/zinc/79/75/04/596797504.db2.gz YPJRCAYQVGZCOJ-LLVKDONJSA-N 0 3 338.383 1.595 20 5 EDBDHN C[C@@H](NC1CCN(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020805 596797736 /nfs/dbraw/zinc/79/77/36/596797736.db2.gz LFMZNDALDRWUPV-SNVBAGLBSA-N 0 3 345.396 1.809 20 5 EDBDHN CC(C)[C@H]1CN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCN1C ZINC000872738975 597053739 /nfs/dbraw/zinc/05/37/39/597053739.db2.gz WRVDWFULBMRRCU-OAHLLOKOSA-N 0 3 346.387 1.420 20 5 EDBDHN COC(=O)c1cc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc([N+](=O)[O-])c1 ZINC000874849283 597200703 /nfs/dbraw/zinc/20/07/03/597200703.db2.gz IVZWTAASMHJWGN-GJZGRUSLSA-N 0 3 347.371 1.690 20 5 EDBDHN NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000880252058 597883501 /nfs/dbraw/zinc/88/35/01/597883501.db2.gz VQWPRILKSMDLEZ-UHFFFAOYSA-N 0 3 346.431 1.901 20 5 EDBDHN O=[N+]([O-])c1nn(CN2CCN(CC3CC3)CC2)cc1Br ZINC000917616009 697051479 /nfs/dbraw/zinc/05/14/79/697051479.db2.gz AVXMGWMCUAKJDZ-UHFFFAOYSA-N 0 3 344.213 1.539 20 5 EDBDHN O=C(OCCN1CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000920090382 697394028 /nfs/dbraw/zinc/39/40/28/697394028.db2.gz NTPZGFOQBYAAHO-UHFFFAOYSA-N 0 3 345.359 1.818 20 5 EDBDHN CCCOc1cccc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031662641 697439472 /nfs/dbraw/zinc/43/94/72/697439472.db2.gz JWCAZFXZEHBFNI-IAGOWNOFSA-N 0 3 347.415 1.689 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)C(C)(C)F)CC1 ZINC000997461002 703679354 /nfs/dbraw/zinc/67/93/54/703679354.db2.gz NBARXYYISPNHJZ-UHFFFAOYSA-N 0 3 341.387 1.405 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)C=C2CCC2)CC1 ZINC000997670709 704014797 /nfs/dbraw/zinc/01/47/97/704014797.db2.gz LJKRAIHLYAFPHC-UHFFFAOYSA-N 0 3 347.419 1.767 20 5 EDBDHN CO[C@@]1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000922615835 704141683 /nfs/dbraw/zinc/14/16/83/704141683.db2.gz OQPMHIZEOWCQAE-ZDTYVGOBSA-N 0 3 340.401 1.401 20 5 EDBDHN Cc1cc(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)nn1C ZINC000922690166 704237943 /nfs/dbraw/zinc/23/79/43/704237943.db2.gz UWHIGXGKOGOULY-UHFFFAOYSA-N 0 3 332.360 1.740 20 5 EDBDHN CCN1CC[C@@H](NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000412831008 304038808 /nfs/dbraw/zinc/03/88/08/304038808.db2.gz BTNLLESZRDQHKQ-GFCCVEGCSA-N 0 3 344.375 1.308 20 5 EDBDHN Cc1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000184076805 235300333 /nfs/dbraw/zinc/30/03/33/235300333.db2.gz BVQLEEXRYMAWBC-CYBMUJFWSA-N 0 3 349.435 1.241 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000068218117 138193232 /nfs/dbraw/zinc/19/32/32/138193232.db2.gz QTCSDXDRHHXMDG-OAHLLOKOSA-N 0 3 345.403 1.389 20 5 EDBDHN CCCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000080791764 138264863 /nfs/dbraw/zinc/26/48/63/138264863.db2.gz DHDDTYPSBUMBIZ-UHFFFAOYSA-N 0 3 329.422 1.913 20 5 EDBDHN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000563746441 306346643 /nfs/dbraw/zinc/34/66/43/306346643.db2.gz IFZDBGUBXIHQKA-VIFPVBQESA-N 0 3 342.783 1.044 20 5 EDBDHN CC1(C)C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000564851019 306367481 /nfs/dbraw/zinc/36/74/81/306367481.db2.gz FQPZLZQERLEWKG-GFCCVEGCSA-N 0 3 342.417 1.916 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000041240556 201091327 /nfs/dbraw/zinc/09/13/27/201091327.db2.gz MJPZOWKAQGYYIO-UHFFFAOYSA-N 0 3 346.387 1.585 20 5 EDBDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041668544 201093851 /nfs/dbraw/zinc/09/38/51/201093851.db2.gz BLIATTNUABXWOX-LBPRGKRZSA-N 0 3 334.376 1.381 20 5 EDBDHN Cc1c(C(=O)N2CCC[C@H](N(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000106364820 204191287 /nfs/dbraw/zinc/19/12/87/204191287.db2.gz CWPVLJUNBBSNDG-NSHDSACASA-N 0 3 336.348 1.978 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCNS(C)(=O)=O ZINC000236843320 139033272 /nfs/dbraw/zinc/03/32/72/139033272.db2.gz RQNJICMINILSBV-UHFFFAOYSA-N 0 3 331.394 1.022 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237205415 139044203 /nfs/dbraw/zinc/04/42/03/139044203.db2.gz NFZIKUFLLDCOFF-ZACCUICWSA-N 0 3 341.389 1.165 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCN1C ZINC000127864863 205121505 /nfs/dbraw/zinc/12/15/05/205121505.db2.gz CPRCREQGBCSNRW-OCCSQVGLSA-N 0 3 349.387 1.727 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]C2)cc1C ZINC000237667036 139057427 /nfs/dbraw/zinc/05/74/27/139057427.db2.gz SNPIYHNQCNPBBI-LBPRGKRZSA-N 0 3 327.406 1.490 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000246739122 139119707 /nfs/dbraw/zinc/11/97/07/139119707.db2.gz PJDHHLURGUDOMY-CZUORRHYSA-N 0 3 331.376 1.632 20 5 EDBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000161140053 206329861 /nfs/dbraw/zinc/32/98/61/206329861.db2.gz LXOIQYYWTZZNPT-YGRLFVJLSA-N 0 3 331.376 1.930 20 5 EDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000173992271 206976469 /nfs/dbraw/zinc/97/64/69/206976469.db2.gz APBXAZZPFTYDJR-HNNXBMFYSA-N 0 3 341.433 1.841 20 5 EDBDHN C[NH+](C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000175078241 207092064 /nfs/dbraw/zinc/09/20/64/207092064.db2.gz ZEICQHJDMNNMMI-WDEREUQCSA-N 0 3 345.396 1.885 20 5 EDBDHN CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000176385975 207222738 /nfs/dbraw/zinc/22/27/38/207222738.db2.gz VVCAMMHHFVJYPD-UHFFFAOYSA-N 0 3 330.182 1.991 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)CNC3)n1 ZINC000420231771 251651934 /nfs/dbraw/zinc/65/19/34/251651934.db2.gz ANXHOYYDTRIBKP-UHFFFAOYSA-N 0 3 328.328 1.992 20 5 EDBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636650 304243881 /nfs/dbraw/zinc/24/38/81/304243881.db2.gz YAIPMBHXFFSCNE-UFBFGSQYSA-N 0 3 326.328 1.968 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCNCCOC ZINC000415650619 304247875 /nfs/dbraw/zinc/24/78/75/304247875.db2.gz FVSGDPZHHPBLSD-UHFFFAOYSA-N 0 3 326.353 1.351 20 5 EDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@]1(O)CN2CCC1CC2 ZINC000493550342 255214960 /nfs/dbraw/zinc/21/49/60/255214960.db2.gz HXZDQRQSZYLURJ-ZNNBYXKUSA-N 0 3 331.372 1.181 20 5 EDBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000119472406 221328863 /nfs/dbraw/zinc/32/88/63/221328863.db2.gz VKZVVDYOTLZXLQ-UHFFFAOYSA-N 0 3 345.403 1.841 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CS(=O)(=O)CCO1 ZINC000344812935 533408717 /nfs/dbraw/zinc/40/87/17/533408717.db2.gz NWNSCGLUIAWLKF-BLMSOEDDSA-N 0 3 340.401 1.401 20 5 EDBDHN COCCN(CCN(C)C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270530120 140117870 /nfs/dbraw/zinc/11/78/70/140117870.db2.gz OCZAJLHSCFUOEC-UHFFFAOYSA-N 0 3 338.408 1.357 20 5 EDBDHN Cc1ccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000271674327 140331706 /nfs/dbraw/zinc/33/17/06/140331706.db2.gz ADVOQNIYYOSJRG-BXUZGUMPSA-N 0 3 349.347 1.720 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1=CCN(C)CC1 ZINC000271938973 140376153 /nfs/dbraw/zinc/37/61/53/140376153.db2.gz WBDFWQBBKDJWEV-UHFFFAOYSA-N 0 3 332.360 1.220 20 5 EDBDHN COC(=O)[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347050683 143276635 /nfs/dbraw/zinc/27/66/35/143276635.db2.gz RCGYNYHWZXYNAH-CORIIIEPSA-N 0 3 338.360 1.218 20 5 EDBDHN C[C@@H](CO)N1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC1 ZINC000347098046 143282497 /nfs/dbraw/zinc/28/24/97/143282497.db2.gz KXEGWLXXBLVPCH-LBPRGKRZSA-N 0 3 346.387 1.605 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N(C)CCO)[C@@H]1C ZINC000347169175 143290391 /nfs/dbraw/zinc/29/03/91/143290391.db2.gz NIEWBGUMDMZXJR-FZMZJTMJSA-N 0 3 337.376 1.131 20 5 EDBDHN COCCCN(C)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347307632 143306284 /nfs/dbraw/zinc/30/62/84/143306284.db2.gz TZENPMCGUWXDSA-UHFFFAOYSA-N 0 3 328.344 1.824 20 5 EDBDHN CCN1CC[C@H]2OCCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355355579 150229885 /nfs/dbraw/zinc/22/98/85/150229885.db2.gz ZRLLCFLUOAATAC-HZPDHXFCSA-N 0 3 333.388 1.459 20 5 EDBDHN COC(=O)COc1ccc(CN(C[C@@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000355762844 150390293 /nfs/dbraw/zinc/39/02/93/150390293.db2.gz UBXOGLQCOPTYKS-GFCCVEGCSA-N 0 3 340.376 1.738 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1Cc1nc(CC2=N[C@H]3CCCC[C@@H]3N2)no1 ZINC000357956557 151210060 /nfs/dbraw/zinc/21/00/60/151210060.db2.gz ZBFZBUZGCVPQTD-QWRGUYRKSA-N 0 3 345.363 1.386 20 5 EDBDHN C[C@@H](C(=O)NC[C@@]1(O)CCN(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000358055435 151249641 /nfs/dbraw/zinc/24/96/41/151249641.db2.gz MEVHDRIEFZVIFN-BMIGLBTASA-N 0 3 325.340 1.020 20 5 EDBDHN Cc1sc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000360869199 152235960 /nfs/dbraw/zinc/23/59/60/152235960.db2.gz BRRMCLAEGMKEHC-GFCCVEGCSA-N 0 3 339.417 1.948 20 5 EDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](O)CN1CCC(C)CC1 ZINC000360909047 152248187 /nfs/dbraw/zinc/24/81/87/152248187.db2.gz BUUNVTYEZIXDJO-ZDUSSCGKSA-N 0 3 325.413 1.624 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000364554636 153269156 /nfs/dbraw/zinc/26/91/56/153269156.db2.gz ZAMMUIRGNKXMBT-CYBMUJFWSA-N 0 3 336.392 1.824 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000372156252 156246741 /nfs/dbraw/zinc/24/67/41/156246741.db2.gz NONRWOVAXFRMCG-BRWVUGGUSA-N 0 3 335.404 1.159 20 5 EDBDHN Cc1c(NC(=O)CCN2CC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000364491009 162333403 /nfs/dbraw/zinc/33/34/03/162333403.db2.gz BWWHZZSVYVKWOZ-CYBMUJFWSA-N 0 3 344.375 1.770 20 5 EDBDHN CC(C)N(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000193337286 272991205 /nfs/dbraw/zinc/99/12/05/272991205.db2.gz NVTAQPZBBFHLTO-UHFFFAOYSA-N 0 3 329.422 1.992 20 5 EDBDHN Cc1nn(CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000273328831 268027596 /nfs/dbraw/zinc/02/75/96/268027596.db2.gz IUBOOJIBEMTCSC-CQSZACIVSA-N 0 3 331.376 1.519 20 5 EDBDHN COCCO[C@@H]1C[C@H](CO)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000278016699 273240981 /nfs/dbraw/zinc/24/09/81/273240981.db2.gz ADUCATSZFAOLFW-DOTOQJQBSA-N 0 3 338.404 1.483 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1(CN(C)C)CCC1 ZINC000281463080 273477195 /nfs/dbraw/zinc/47/71/95/273477195.db2.gz INQXTDQHUBXJMG-UHFFFAOYSA-N 0 3 327.406 1.666 20 5 EDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](O)CN1CCC(C)CC1 ZINC000359489084 273782384 /nfs/dbraw/zinc/78/23/84/273782384.db2.gz ZJINYXRZOPUFLM-CYBMUJFWSA-N 0 3 325.413 1.624 20 5 EDBDHN C[C@@H](CO)N1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413260806 274227851 /nfs/dbraw/zinc/22/78/51/274227851.db2.gz RIZAOQIMEFHANK-JTQLQIEISA-N 0 3 348.325 1.902 20 5 EDBDHN O=C(N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C12CCCN1CCC2 ZINC000368123567 274978507 /nfs/dbraw/zinc/97/85/07/274978507.db2.gz MAZYIWNKEJWAFM-CYBMUJFWSA-N 0 3 333.392 1.583 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCN([C@H]3CCC[C@H]3O)CC2)s1 ZINC000367418874 275034084 /nfs/dbraw/zinc/03/40/84/275034084.db2.gz LYOIAVIVZZJHIK-NWDGAFQWSA-N 0 3 349.416 1.635 20 5 EDBDHN CC(C)N(CCN1CCCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000345900247 275620514 /nfs/dbraw/zinc/62/05/14/275620514.db2.gz GUVKNDJLXZXCGN-UHFFFAOYSA-N 0 3 337.424 1.904 20 5 EDBDHN CC(C)c1ccc([C@H](N)CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000236768372 275748332 /nfs/dbraw/zinc/74/83/32/275748332.db2.gz HKWJJPJCJIXRBJ-CQSZACIVSA-N 0 3 331.376 1.731 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](N(C)C)[C@@H](SC)C2)n1 ZINC000286501415 288021107 /nfs/dbraw/zinc/02/11/07/288021107.db2.gz MZIVPIQUCZFXNW-NEPJUHHUSA-N 0 3 340.405 1.258 20 5 EDBDHN C[C@@]1(c2ccc(F)cc2)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361637601 279174806 /nfs/dbraw/zinc/17/48/06/279174806.db2.gz AEYOGQSGVQHPCL-DLBZAZTESA-N 0 3 348.378 1.955 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000359088654 280398749 /nfs/dbraw/zinc/39/87/49/280398749.db2.gz ADNMEINXJAHXOY-AWEZNQCLSA-N 0 3 347.419 1.349 20 5 EDBDHN CCCN(CCN1CCCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000287569474 288267665 /nfs/dbraw/zinc/26/76/65/288267665.db2.gz XBBKNBIKGUOSCZ-UHFFFAOYSA-N 0 3 336.392 1.091 20 5 EDBDHN O=C(N[C@H](CO)CN1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000288639813 288533989 /nfs/dbraw/zinc/53/39/89/288533989.db2.gz XGAFGLPMCIFZMQ-LBPRGKRZSA-N 0 3 346.387 1.653 20 5 EDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344236772 289139741 /nfs/dbraw/zinc/13/97/41/289139741.db2.gz BLXPNQDWXSIYOW-HNNXBMFYSA-N 0 3 339.367 1.917 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000291855254 289197724 /nfs/dbraw/zinc/19/77/24/289197724.db2.gz IFXSOYJCXSGLTM-HNNXBMFYSA-N 0 3 339.417 1.620 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)n1 ZINC000173937231 302951770 /nfs/dbraw/zinc/95/17/70/302951770.db2.gz XEBWVTGVMQLIRY-UHFFFAOYSA-N 0 3 332.364 1.675 20 5 EDBDHN CN1CCC[C@@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294315925 303090913 /nfs/dbraw/zinc/09/09/13/303090913.db2.gz WOHVRBJOYFFVHR-QGZVFWFLSA-N 0 3 333.388 1.918 20 5 EDBDHN NC(=O)c1ccc(CN2CCNC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000261826305 303343666 /nfs/dbraw/zinc/34/36/66/303343666.db2.gz SPCGOLOWDXIYGO-MRXNPFEDSA-N 0 3 341.371 1.235 20 5 EDBDHN CCNC(=O)[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411795765 303915330 /nfs/dbraw/zinc/91/53/30/303915330.db2.gz RHWZPHNCBWUENN-HNNXBMFYSA-N 0 3 336.392 1.674 20 5 EDBDHN CN(C)S(=O)(=O)CCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429237580 305026166 /nfs/dbraw/zinc/02/61/66/305026166.db2.gz LCFZVHBLFCKXIQ-UHFFFAOYSA-N 0 3 329.422 1.701 20 5 EDBDHN Cc1nn(C)c(NCC(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000431493901 305078136 /nfs/dbraw/zinc/07/81/36/305078136.db2.gz DGXVAKNAPYCEQN-UHFFFAOYSA-N 0 3 338.412 1.041 20 5 EDBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]2)n(C2CC[NH+](C)CC2)n1 ZINC000431505818 305078450 /nfs/dbraw/zinc/07/84/50/305078450.db2.gz LDTXVXXZGVABQV-UHFFFAOYSA-N 0 3 332.364 1.947 20 5 EDBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n(C2CCN(C)CC2)n1 ZINC000431505818 305078451 /nfs/dbraw/zinc/07/84/51/305078451.db2.gz LDTXVXXZGVABQV-UHFFFAOYSA-N 0 3 332.364 1.947 20 5 EDBDHN Cc1cc(OCC(=O)N(C)[C@@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000435677892 305145056 /nfs/dbraw/zinc/14/50/56/305145056.db2.gz KLINOSQHMAWXMD-MRXNPFEDSA-N 0 3 333.388 1.835 20 5 EDBDHN CC[C@@H]1CN(CC)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723728 305364656 /nfs/dbraw/zinc/36/46/56/305364656.db2.gz BCLNQJISTQZKPF-ZBFHGGJFSA-N 0 3 337.420 1.751 20 5 EDBDHN CNc1nc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456043912 305450544 /nfs/dbraw/zinc/45/05/44/305450544.db2.gz KIPQIVLVNYSZRB-DGCLKSJQSA-N 0 3 333.392 1.730 20 5 EDBDHN CC(C)N1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000069989728 441102063 /nfs/dbraw/zinc/10/20/63/441102063.db2.gz ZUOOOWGORKCEHG-UHFFFAOYSA-N 0 3 334.376 1.476 20 5 EDBDHN CN(C)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000048184188 441270042 /nfs/dbraw/zinc/27/00/42/441270042.db2.gz BAEPUXNNSYKGBV-AWEZNQCLSA-N 0 3 331.376 1.080 20 5 EDBDHN CCN1CCC(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000022238080 441277127 /nfs/dbraw/zinc/27/71/27/441277127.db2.gz ZBFWYWUEGJBQJE-UHFFFAOYSA-N 0 3 348.403 1.315 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072936506 441277404 /nfs/dbraw/zinc/27/74/04/441277404.db2.gz NCNRKWVWWYIHOM-ZDUSSCGKSA-N 0 3 349.387 1.509 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000061650052 441284268 /nfs/dbraw/zinc/28/42/68/441284268.db2.gz SWHBRGMNXFLMQO-QWHCGFSZSA-N 0 3 335.360 1.196 20 5 EDBDHN CN1CCC[C@H](CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000073082742 441291139 /nfs/dbraw/zinc/29/11/39/441291139.db2.gz FPSPFGZSCCJJES-GFCCVEGCSA-N 0 3 349.387 1.367 20 5 EDBDHN COc1ccc(CSCC(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000085361001 441433791 /nfs/dbraw/zinc/43/37/91/441433791.db2.gz CHYBJGOSHIXUCB-UHFFFAOYSA-N 0 3 341.433 1.857 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000108406227 441452462 /nfs/dbraw/zinc/45/24/62/441452462.db2.gz AAPQIFRDABVWKV-GFCCVEGCSA-N 0 3 327.406 1.523 20 5 EDBDHN C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(C)C1CC1 ZINC000067276892 441624069 /nfs/dbraw/zinc/62/40/69/441624069.db2.gz CWWOGWCRIFSHLM-LLVKDONJSA-N 0 3 344.375 1.388 20 5 EDBDHN COC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000136655651 441711843 /nfs/dbraw/zinc/71/18/43/441711843.db2.gz IONLCHAOIZCZOZ-QMTHXVAHSA-N 0 3 337.376 1.945 20 5 EDBDHN C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000173713258 441829100 /nfs/dbraw/zinc/82/91/00/441829100.db2.gz YWDNNEUYKDWQCH-CQSZACIVSA-N 0 3 349.435 1.278 20 5 EDBDHN CN(CC(=O)NC1CCN(C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000079395489 442044318 /nfs/dbraw/zinc/04/43/18/442044318.db2.gz JBGVWMHHRVRKCB-UHFFFAOYSA-N 0 3 332.404 1.774 20 5 EDBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000164183476 442192835 /nfs/dbraw/zinc/19/28/35/442192835.db2.gz NCLSZBPXHROCQD-LLVKDONJSA-N 0 3 344.375 1.668 20 5 EDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NCCN2CCCCCC2)cc1 ZINC000127316711 442192889 /nfs/dbraw/zinc/19/28/89/442192889.db2.gz VSQDYNUDTFCIEL-UHFFFAOYSA-N 0 3 341.433 1.890 20 5 EDBDHN CN(C)CCSc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000153489894 442285402 /nfs/dbraw/zinc/28/54/02/442285402.db2.gz TWENHFHUVDBYEL-UHFFFAOYSA-N 0 3 333.435 1.499 20 5 EDBDHN CCCN1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000155062152 442373500 /nfs/dbraw/zinc/37/35/00/442373500.db2.gz QMDYYBLITUESTD-UHFFFAOYSA-N 0 3 348.403 1.786 20 5 EDBDHN COC[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000178006132 442400994 /nfs/dbraw/zinc/40/09/94/442400994.db2.gz ILCRNJWKWFDDFA-AWEZNQCLSA-N 0 3 345.421 1.134 20 5 EDBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC000179844851 442511430 /nfs/dbraw/zinc/51/14/30/442511430.db2.gz KJUVWVTZNORMJC-GFCCVEGCSA-N 0 3 333.388 1.889 20 5 EDBDHN CCOc1ccc([C@H](C)NCCNC(=O)c2ccn[nH]2)cc1[N+](=O)[O-] ZINC000180217539 442560546 /nfs/dbraw/zinc/56/05/46/442560546.db2.gz ADVCDUQNGCJVJG-NSHDSACASA-N 0 3 347.375 1.797 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000186811773 442616069 /nfs/dbraw/zinc/61/60/69/442616069.db2.gz VLLXGXYAIOHWMO-UHFFFAOYSA-N 0 3 343.387 1.947 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)c1C ZINC000192917073 442697620 /nfs/dbraw/zinc/69/76/20/442697620.db2.gz OMQMHDWDOUUHKW-BETUJISGSA-N 0 3 339.417 1.394 20 5 EDBDHN CN(C)CCOc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])ccn1 ZINC000136479436 442664365 /nfs/dbraw/zinc/66/43/65/442664365.db2.gz XMXMGYUWLBXDNP-UHFFFAOYSA-N 0 3 344.371 1.860 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000268186556 442889439 /nfs/dbraw/zinc/88/94/39/442889439.db2.gz MFPVNLHOHRJTOF-LKFCYVNXSA-N 0 3 329.360 1.684 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000268277765 442928407 /nfs/dbraw/zinc/92/84/07/442928407.db2.gz VDRAJCVMNQGBBR-BXUZGUMPSA-N 0 3 341.433 1.728 20 5 EDBDHN C[C@H](C(=O)NC[C@](C)(O)CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000183476242 442933834 /nfs/dbraw/zinc/93/38/34/442933834.db2.gz ZXEGAGQEKUVXND-BONVTDFDSA-N 0 3 327.356 1.266 20 5 EDBDHN C[C@@H](C(=O)NC[C@@](C)(O)CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000183476299 442934528 /nfs/dbraw/zinc/93/45/28/442934528.db2.gz ZXEGAGQEKUVXND-MEBBXXQBSA-N 0 3 327.356 1.266 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000268310174 442941959 /nfs/dbraw/zinc/94/19/59/442941959.db2.gz ZDDQTMIYLNNCCW-TZMCWYRMSA-N 0 3 341.433 1.782 20 5 EDBDHN C[C@H]1CN(CC(C)(C)O)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189462513 442960159 /nfs/dbraw/zinc/96/01/59/442960159.db2.gz FRWXWLITXBKNGJ-BBRMVZONSA-N 0 3 337.420 1.405 20 5 EDBDHN COC(=O)[C@@]1(C)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000268377976 442967090 /nfs/dbraw/zinc/96/70/90/442967090.db2.gz UHMTZFAKPLSZGR-INIZCTEOSA-N 0 3 338.360 1.867 20 5 EDBDHN NC(=O)c1cc([C@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000266123621 443025334 /nfs/dbraw/zinc/02/53/34/443025334.db2.gz CHJASBLPDRFJMN-ZDUSSCGKSA-N 0 3 343.387 1.839 20 5 EDBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184494893 443028951 /nfs/dbraw/zinc/02/89/51/443028951.db2.gz LMWNVZBWHCBPAH-ZDUSSCGKSA-N 0 3 341.433 1.698 20 5 EDBDHN CCN1CCC[C@H]1CN(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184619000 443050327 /nfs/dbraw/zinc/05/03/27/443050327.db2.gz AYDAWYUFZAFPJE-AWEZNQCLSA-N 0 3 341.433 1.841 20 5 EDBDHN CCCN(CC)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184618041 443050351 /nfs/dbraw/zinc/05/03/51/443050351.db2.gz AAKRREFVYOAWKA-UHFFFAOYSA-N 0 3 329.422 1.746 20 5 EDBDHN C[C@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000254999472 443081006 /nfs/dbraw/zinc/08/10/06/443081006.db2.gz NXNUJJUBUIFMRM-ZPIQOJFGSA-N 0 3 346.431 1.608 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)c1C ZINC000383320068 319125261 /nfs/dbraw/zinc/12/52/61/319125261.db2.gz ROKVZRWSEZQZDE-JTQLQIEISA-N 0 3 337.348 1.472 20 5 EDBDHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000411899850 319211431 /nfs/dbraw/zinc/21/14/31/319211431.db2.gz CQXWDWLQTVJTQA-CYBMUJFWSA-N 0 3 337.376 1.140 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000264535675 443316884 /nfs/dbraw/zinc/31/68/84/443316884.db2.gz ZSLZARZFPBXJGO-OAHLLOKOSA-N 0 3 346.387 1.620 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H]2CN2CCOCC2)c1 ZINC000269680388 443393437 /nfs/dbraw/zinc/39/34/37/443393437.db2.gz XXVHJXZUHDLJEF-IRXDYDNUSA-N 0 3 335.404 1.425 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000272630082 443388586 /nfs/dbraw/zinc/38/85/86/443388586.db2.gz NCCONWZDFZFQQK-YGRLFVJLSA-N 0 3 329.360 1.637 20 5 EDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272579682 443370621 /nfs/dbraw/zinc/37/06/21/443370621.db2.gz RNWOQTUKOZETBA-JTQLQIEISA-N 0 3 335.389 1.766 20 5 EDBDHN C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272773112 443439733 /nfs/dbraw/zinc/43/97/33/443439733.db2.gz QXDLSKVAFOQMJV-ZDUSSCGKSA-N 0 3 332.404 1.798 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000265027507 443511852 /nfs/dbraw/zinc/51/18/52/443511852.db2.gz FUCRLHRHTDBSJR-LBPRGKRZSA-N 0 3 347.375 1.807 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000286166395 443660349 /nfs/dbraw/zinc/66/03/49/443660349.db2.gz MFCGDDAOQCYTIH-GJZGRUSLSA-N 0 3 336.392 1.455 20 5 EDBDHN CN(C)C1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000438513668 320034681 /nfs/dbraw/zinc/03/46/81/320034681.db2.gz CTIOIBRNPRUWBZ-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN COc1cc(OCC(=O)N[C@@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000449659769 320197122 /nfs/dbraw/zinc/19/71/22/320197122.db2.gz DNTYRMNPNIVUOB-GFCCVEGCSA-N 0 3 345.302 1.096 20 5 EDBDHN COc1cc(OCC(=O)N[C@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000449659770 320197181 /nfs/dbraw/zinc/19/71/81/320197181.db2.gz DNTYRMNPNIVUOB-LBPRGKRZSA-N 0 3 345.302 1.096 20 5 EDBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1c([N+](=O)[O-])ncn1C ZINC000491202558 320366783 /nfs/dbraw/zinc/36/67/83/320366783.db2.gz QCMWFMSTWVUWMQ-QGZVFWFLSA-N 0 3 345.403 1.402 20 5 EDBDHN Cc1c(NC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000292669273 443812587 /nfs/dbraw/zinc/81/25/87/443812587.db2.gz DIFJMNVUKVVOAY-IUODEOHRSA-N 0 3 336.392 1.822 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000299209572 443983144 /nfs/dbraw/zinc/98/31/44/443983144.db2.gz HIBQOINTPXKGQK-IUODEOHRSA-N 0 3 348.403 1.559 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000277472991 443987312 /nfs/dbraw/zinc/98/73/12/443987312.db2.gz NLUTYRAXHKRQCR-AAEUAGOBSA-N 0 3 337.376 1.947 20 5 EDBDHN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000285462222 443993927 /nfs/dbraw/zinc/99/39/27/443993927.db2.gz JVESBJWITYXKEF-RYUDHWBXSA-N 0 3 347.462 1.854 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000299347865 444024080 /nfs/dbraw/zinc/02/40/80/444024080.db2.gz MWXZPQIJASRKBJ-CQSZACIVSA-N 0 3 331.376 1.519 20 5 EDBDHN O=C(CCN1CCNC[C@@H]1C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000565659264 321195857 /nfs/dbraw/zinc/19/58/57/321195857.db2.gz WYQKZEMSGUUKND-GFCCVEGCSA-N 0 3 328.319 1.462 20 5 EDBDHN CNc1ccc(C(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000568746175 321304644 /nfs/dbraw/zinc/30/46/44/321304644.db2.gz HDIKGSBWXUJXRW-UHFFFAOYSA-N 0 3 343.387 1.941 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000299719409 444123885 /nfs/dbraw/zinc/12/38/85/444123885.db2.gz SBODECJKJPBOLY-UHFFFAOYSA-N 0 3 348.403 1.703 20 5 EDBDHN O=C(N[C@@H]1CCCN(CCCO)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000295306716 444176560 /nfs/dbraw/zinc/17/65/60/444176560.db2.gz BLNPDRHRPRFGKY-GFCCVEGCSA-N 0 3 346.387 1.653 20 5 EDBDHN CN1CCC[C@H](N2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000305176556 444263231 /nfs/dbraw/zinc/26/32/31/444263231.db2.gz LPSJLJCWGUMNAP-ZWKOTPCHSA-N 0 3 348.447 1.340 20 5 EDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCNc1ccncc1 ZINC000340511207 444419441 /nfs/dbraw/zinc/41/94/41/444419441.db2.gz FNMFPENZGQTFJN-UHFFFAOYSA-N 0 3 339.355 1.664 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@@H]1C(F)F ZINC000579354541 321925074 /nfs/dbraw/zinc/92/50/74/321925074.db2.gz CTMYPTLTLHFIQT-GFCCVEGCSA-N 0 3 328.319 1.381 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000581007397 322123235 /nfs/dbraw/zinc/12/32/35/322123235.db2.gz IGZXLKNINZQLTG-RKLWJJNISA-N 0 3 340.376 1.117 20 5 EDBDHN CC1(C)CCN(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000581498798 322185551 /nfs/dbraw/zinc/18/55/51/322185551.db2.gz KJGLCYHSIFKDQJ-UHFFFAOYSA-N 0 3 347.419 1.370 20 5 EDBDHN CN1CC=C(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000332488014 444517271 /nfs/dbraw/zinc/51/72/71/444517271.db2.gz NZVDKRKHELBIMG-UHFFFAOYSA-N 0 3 333.344 1.358 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N(C)C1 ZINC000343873193 444639657 /nfs/dbraw/zinc/63/96/57/444639657.db2.gz HIZJYRRJZHNFTK-ZIAGYGMSSA-N 0 3 347.375 1.800 20 5 EDBDHN CCN1CCN(CCC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000338334428 444641245 /nfs/dbraw/zinc/64/12/45/444641245.db2.gz QDYYKHVSSJJHOO-UHFFFAOYSA-N 0 3 348.447 1.623 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCC(=O)NC12CCC2 ZINC000338636096 444785995 /nfs/dbraw/zinc/78/59/95/444785995.db2.gz JEDHNGJUSKGJOW-ZDUSSCGKSA-N 0 3 346.387 1.633 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344435963 444969214 /nfs/dbraw/zinc/96/92/14/444969214.db2.gz FEOBXFNGVPQYNM-LBPRGKRZSA-N 0 3 338.383 1.490 20 5 EDBDHN CC[C@H](NCC1(O)CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000330522196 445017219 /nfs/dbraw/zinc/01/72/19/445017219.db2.gz MEGMEZKJQGXFGT-AWEZNQCLSA-N 0 3 342.417 1.575 20 5 EDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000362812077 445560541 /nfs/dbraw/zinc/56/05/41/445560541.db2.gz AEKVNSXQNYOAQX-HOTGVXAUSA-N 0 3 333.388 1.507 20 5 EDBDHN CN1CCC(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000362815071 445562826 /nfs/dbraw/zinc/56/28/26/445562826.db2.gz SOEWUFCZENSULT-CQSZACIVSA-N 0 3 347.419 1.735 20 5 EDBDHN COCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000358281975 445615388 /nfs/dbraw/zinc/61/53/88/445615388.db2.gz DQOJYGYWNVSZCA-RYUDHWBXSA-N 0 3 331.376 1.998 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000356138876 445642018 /nfs/dbraw/zinc/64/20/18/445642018.db2.gz DRUCAUMBXOFQPW-HNNXBMFYSA-N 0 3 343.387 1.895 20 5 EDBDHN CN(C)CCN1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000363016032 445650007 /nfs/dbraw/zinc/65/00/07/445650007.db2.gz OOAXSXBJIIBRPG-UHFFFAOYSA-N 0 3 349.435 1.103 20 5 EDBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000356195163 445670466 /nfs/dbraw/zinc/67/04/66/445670466.db2.gz SFOODJFNVZOTQM-LLVKDONJSA-N 0 3 325.388 1.754 20 5 EDBDHN C[C@@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])N(C)C ZINC000358707816 445732061 /nfs/dbraw/zinc/73/20/61/445732061.db2.gz MOJDKTCTXGLFHM-LBPRGKRZSA-N 0 3 336.392 1.429 20 5 EDBDHN COCC(=O)N1CCC(NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000358732473 445749597 /nfs/dbraw/zinc/74/95/97/445749597.db2.gz QKTKYAHZMJFYGJ-UHFFFAOYSA-N 0 3 337.376 1.330 20 5 EDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363325929 445767172 /nfs/dbraw/zinc/76/71/72/445767172.db2.gz MTWCKUFZVKCPNS-KGLIPLIRSA-N 0 3 349.387 1.343 20 5 EDBDHN CN(C)[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358920923 445849077 /nfs/dbraw/zinc/84/90/77/445849077.db2.gz ODPFJRKIBZOFJW-JTQLQIEISA-N 0 3 329.303 1.972 20 5 EDBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000363540767 445850275 /nfs/dbraw/zinc/85/02/75/445850275.db2.gz AYTQWLIBJODGCN-AGIUHOORSA-N 0 3 337.376 1.807 20 5 EDBDHN COc1cc(OCC(=O)N2CCN(C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000354006966 445851738 /nfs/dbraw/zinc/85/17/38/445851738.db2.gz ODRHUMJMLDXREY-GFCCVEGCSA-N 0 3 337.376 1.535 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@]1(N(C)C)CCSC1 ZINC000359034098 445899932 /nfs/dbraw/zinc/89/99/32/445899932.db2.gz XQXFTNCHQGQQNH-OAHLLOKOSA-N 0 3 338.433 1.804 20 5 EDBDHN CCN(C[C@@H]1CCCN1CC)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000583459604 326077511 /nfs/dbraw/zinc/07/75/11/326077511.db2.gz RWHMZBUGXIQHRZ-AWEZNQCLSA-N 0 3 337.424 1.823 20 5 EDBDHN Cc1cc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc([N+](=O)[O-])c1 ZINC000583498965 326085262 /nfs/dbraw/zinc/08/52/62/326085262.db2.gz GJVYAQSBOSQYKX-CQSZACIVSA-N 0 3 344.375 1.431 20 5 EDBDHN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])cn1C)Cc1ccncc1 ZINC000584057976 326192472 /nfs/dbraw/zinc/19/24/72/326192472.db2.gz CUXPCJMJKNADIV-UHFFFAOYSA-N 0 3 345.403 1.922 20 5 EDBDHN Cc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000366196803 446077709 /nfs/dbraw/zinc/07/77/09/446077709.db2.gz QUQSWXODLZGELD-HNNXBMFYSA-N 0 3 333.388 1.886 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000361941714 446090082 /nfs/dbraw/zinc/09/00/82/446090082.db2.gz SWZHBELUJZTZIZ-GDBMZVCRSA-N 0 3 335.404 1.505 20 5 EDBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000370425720 446273084 /nfs/dbraw/zinc/27/30/84/446273084.db2.gz UHWIZARCJYFGLW-QGZVFWFLSA-N 0 3 346.431 1.835 20 5 EDBDHN CC[C@@](C)(NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC000411384782 446512571 /nfs/dbraw/zinc/51/25/71/446512571.db2.gz GAMVHCAGWYWYJK-OAHLLOKOSA-N 0 3 338.364 1.176 20 5 EDBDHN C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000367174952 446519313 /nfs/dbraw/zinc/51/93/13/446519313.db2.gz XYRMWWIIRYVDTD-ZDUSSCGKSA-N 0 3 333.436 1.782 20 5 EDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CNCCC1(F)F ZINC000418744527 446664774 /nfs/dbraw/zinc/66/47/74/446664774.db2.gz FDDFDZOAQSFWEM-LBPRGKRZSA-N 0 3 328.319 1.733 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC[C@H]1CCC[NH2+]1 ZINC000420454369 446631718 /nfs/dbraw/zinc/63/17/18/446631718.db2.gz YCPWEFKDJDPYFG-LLVKDONJSA-N 0 3 343.405 1.414 20 5 EDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000423991133 446811030 /nfs/dbraw/zinc/81/10/30/446811030.db2.gz LFFDVDKUBPCHSB-JQWIXIFHSA-N 0 3 325.390 1.180 20 5 EDBDHN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1C1CCN(C)CC1 ZINC000371465756 446873957 /nfs/dbraw/zinc/87/39/57/446873957.db2.gz HRFIAPMRSUBTRC-CQSZACIVSA-N 0 3 346.431 1.835 20 5 EDBDHN CC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000420987280 446965085 /nfs/dbraw/zinc/96/50/85/446965085.db2.gz NUNQHJMDLSKIKY-CYBMUJFWSA-N 0 3 334.376 1.442 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375831070 447088111 /nfs/dbraw/zinc/08/81/11/447088111.db2.gz MIDAXZPHKRTLJH-GDBMZVCRSA-N 0 3 332.404 1.873 20 5 EDBDHN CN1CCC(CNc2ccccc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000413481212 447195718 /nfs/dbraw/zinc/19/57/18/447195718.db2.gz NBHKMKHXAASFBP-UHFFFAOYSA-N 0 3 334.420 1.803 20 5 EDBDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415506259 447486179 /nfs/dbraw/zinc/48/61/79/447486179.db2.gz ZOGHTTWOPBETAS-NSHDSACASA-N 0 3 338.364 1.176 20 5 EDBDHN C[C@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1 ZINC000420201754 447668010 /nfs/dbraw/zinc/66/80/10/447668010.db2.gz NJGKSHLOPMLPQP-NSHDSACASA-N 0 3 329.360 1.357 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@](O)(CO)C1 ZINC000459649791 447731878 /nfs/dbraw/zinc/73/18/78/447731878.db2.gz RUJWHSBKMGXGLS-MRXNPFEDSA-N 0 3 337.376 1.051 20 5 EDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525694161 448012029 /nfs/dbraw/zinc/01/20/29/448012029.db2.gz PDEDLCSZKQFTDK-NSHDSACASA-N 0 3 328.394 1.095 20 5 EDBDHN C[N@H+](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000525688393 448012304 /nfs/dbraw/zinc/01/23/04/448012304.db2.gz BMFCVRROKALWJL-UHFFFAOYSA-N 0 3 328.394 1.143 20 5 EDBDHN C[N@@H+](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000525688393 448012308 /nfs/dbraw/zinc/01/23/08/448012308.db2.gz BMFCVRROKALWJL-UHFFFAOYSA-N 0 3 328.394 1.143 20 5 EDBDHN C[C@@H](CCCO)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576399316 448045614 /nfs/dbraw/zinc/04/56/14/448045614.db2.gz KHTHJKHDWSVRPO-LBPRGKRZSA-N 0 3 330.406 1.367 20 5 EDBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000564466242 448331005 /nfs/dbraw/zinc/33/10/05/448331005.db2.gz LSXQWIAXLBFRNL-CYBMUJFWSA-N 0 3 349.435 2.416 20 5 EDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000591758898 448484205 /nfs/dbraw/zinc/48/42/05/448484205.db2.gz RSZXTIWNKSLMLP-WFASDCNBSA-N 0 3 342.417 1.916 20 5 EDBDHN CC1(C)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000584390786 448505419 /nfs/dbraw/zinc/50/54/19/448505419.db2.gz SCWIOOGDBHDEMX-AWEZNQCLSA-N 0 3 335.360 1.596 20 5 EDBDHN C[C@@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000566791493 448558287 /nfs/dbraw/zinc/55/82/87/448558287.db2.gz CJSLFVKEFMBYJZ-AWEZNQCLSA-N 0 3 328.390 1.527 20 5 EDBDHN CN(C)[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000566883232 448575907 /nfs/dbraw/zinc/57/59/07/448575907.db2.gz PQYNFPFUHAHFSP-GJZGRUSLSA-N 0 3 335.404 1.639 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000517455594 448582639 /nfs/dbraw/zinc/58/26/39/448582639.db2.gz UPLIYUOGSZHSIG-NSHDSACASA-N 0 3 335.360 1.438 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CCO)c2ccccc2F)c1 ZINC000592159117 448717852 /nfs/dbraw/zinc/71/78/52/448717852.db2.gz CBMPDWWGMFXKFL-WFASDCNBSA-N 0 3 338.339 1.005 20 5 EDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000588005141 448854934 /nfs/dbraw/zinc/85/49/34/448854934.db2.gz WEKYTVOBLKLNAN-AWEZNQCLSA-N 0 3 336.367 1.652 20 5 EDBDHN CC1(C)C[C@@H](NCC(=O)N2CCNCC2)c2cc([N+](=O)[O-])ccc21 ZINC000574440802 448875021 /nfs/dbraw/zinc/87/50/21/448875021.db2.gz ANENKLYFVWGXKU-OAHLLOKOSA-N 0 3 332.404 1.339 20 5 EDBDHN NC1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000592532948 448884075 /nfs/dbraw/zinc/88/40/75/448884075.db2.gz VZXVDBHXEJEOPP-UHFFFAOYSA-N 0 3 341.367 1.586 20 5 EDBDHN Cn1c2cc(NCC3=CCN(C)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588012613 448857060 /nfs/dbraw/zinc/85/70/60/448857060.db2.gz LHQGKVNTYBYFEU-UHFFFAOYSA-N 0 3 331.376 1.459 20 5 EDBDHN NC[C@H]1c2ccccc2CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000592567393 448904637 /nfs/dbraw/zinc/90/46/37/448904637.db2.gz LKJCJSZTRMWNKH-HNNXBMFYSA-N 0 3 329.360 1.266 20 5 EDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000588814479 448933659 /nfs/dbraw/zinc/93/36/59/448933659.db2.gz NYGUYPOVZCXIDS-OAHLLOKOSA-N 0 3 341.795 1.777 20 5 EDBDHN C[C@@H]1C[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000579828086 448888141 /nfs/dbraw/zinc/88/81/41/448888141.db2.gz CLIXJWNRXFSXPT-UPJWGTAASA-N 0 3 342.417 1.772 20 5 EDBDHN CC(C)c1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588861387 448941614 /nfs/dbraw/zinc/94/16/14/448941614.db2.gz SVILQDSEJDVXPP-LSDHHAIUSA-N 0 3 347.415 1.999 20 5 EDBDHN CN1C[C@@H]2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@@H]2C1 ZINC000590010537 449094717 /nfs/dbraw/zinc/09/47/17/449094717.db2.gz ODDXCBCXJMXGFA-GXTWGEPZSA-N 0 3 329.360 1.781 20 5 EDBDHN CO[C@@]1(CO)CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595660692 449102253 /nfs/dbraw/zinc/10/22/53/449102253.db2.gz UNJNMNBJIXMPPV-INIZCTEOSA-N 0 3 337.376 1.397 20 5 EDBDHN CC(C)C[N@H+](C)CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000593616773 449110607 /nfs/dbraw/zinc/11/06/07/449110607.db2.gz PNDRXNOAJIOPEB-UHFFFAOYSA-N 0 3 330.410 1.246 20 5 EDBDHN CC(C)C[N@@H+](C)CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000593616773 449110608 /nfs/dbraw/zinc/11/06/08/449110608.db2.gz PNDRXNOAJIOPEB-UHFFFAOYSA-N 0 3 330.410 1.246 20 5 EDBDHN CN(C)C[C@@H](CO)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599938637 449117014 /nfs/dbraw/zinc/11/70/14/449117014.db2.gz CNZWDKVUZZBREU-QMMMGPOBSA-N 0 3 346.181 1.010 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000590443332 449164891 /nfs/dbraw/zinc/16/48/91/449164891.db2.gz IFLQTXDFEMDOIC-ZFWWWQNUSA-N 0 3 333.388 1.835 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)[C@@H]2C1 ZINC000590446410 449167612 /nfs/dbraw/zinc/16/76/12/449167612.db2.gz VBSVAMOMWBBQDI-MLGOLLRUSA-N 0 3 341.371 1.557 20 5 EDBDHN COc1cc(CNCC[C@@]2(O)CCCOC2)c([N+](=O)[O-])cc1OC ZINC000593690959 449149458 /nfs/dbraw/zinc/14/94/58/449149458.db2.gz DFXHYTSSLKSULT-INIZCTEOSA-N 0 3 340.376 1.633 20 5 EDBDHN COc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590590198 449205078 /nfs/dbraw/zinc/20/50/78/449205078.db2.gz VPCNBEKYMIDGQS-ZYHUDNBSSA-N 0 3 343.405 1.317 20 5 EDBDHN C[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000590649711 449233399 /nfs/dbraw/zinc/23/33/99/449233399.db2.gz ZUGYIORPSUEVID-ITGUQSILSA-N 0 3 342.417 1.914 20 5 EDBDHN COc1cc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611515878 449317611 /nfs/dbraw/zinc/31/76/11/449317611.db2.gz PSSNLKRJAWIEIX-ZBFHGGJFSA-N 0 3 335.404 1.634 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342090 449356676 /nfs/dbraw/zinc/35/66/76/449356676.db2.gz DYGMSRYACVJXLB-GXTWGEPZSA-N 0 3 348.403 1.314 20 5 EDBDHN O=C(CNc1cc[n-]c(=O)c1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000596240053 449435096 /nfs/dbraw/zinc/43/50/96/449435096.db2.gz QAJNHKSGWNJKOD-UHFFFAOYSA-N 0 3 337.380 1.100 20 5 EDBDHN CCCN(C)CC(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600539836 449431462 /nfs/dbraw/zinc/43/14/62/449431462.db2.gz BXDZJRGOGXNKFL-MRXNPFEDSA-N 0 3 337.376 1.441 20 5 EDBDHN CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000600621498 449464408 /nfs/dbraw/zinc/46/44/08/449464408.db2.gz BKOVWPKYLBQFMG-VNQPRFMTSA-N 0 3 348.403 1.670 20 5 EDBDHN COc1cc(C(=O)N2CCN[C@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000598572094 449470648 /nfs/dbraw/zinc/47/06/48/449470648.db2.gz KYRUDXLPLKTPTR-LBPRGKRZSA-N 0 3 325.340 1.813 20 5 EDBDHN COC(=O)c1ccnc(N2C[C@@H](SC)[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000598607472 449489811 /nfs/dbraw/zinc/48/98/11/449489811.db2.gz MYXNBTZZFQHJGN-GHMZBOCLSA-N 0 3 340.405 1.258 20 5 EDBDHN C[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000598645721 449516010 /nfs/dbraw/zinc/51/60/10/449516010.db2.gz GMRBTKHFZQMUSZ-STQMWFEESA-N 0 3 349.387 1.843 20 5 EDBDHN C[C@@H](CN1CCN(C)CC1)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601112743 449696930 /nfs/dbraw/zinc/69/69/30/449696930.db2.gz CHROLBBUAIRKEE-ZDUSSCGKSA-N 0 3 329.404 1.613 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601305452 449815534 /nfs/dbraw/zinc/81/55/34/449815534.db2.gz YGTFWYROHQHRME-SNVBAGLBSA-N 0 3 345.446 1.727 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601305452 449815537 /nfs/dbraw/zinc/81/55/37/449815537.db2.gz YGTFWYROHQHRME-SNVBAGLBSA-N 0 3 345.446 1.727 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000594965164 449822050 /nfs/dbraw/zinc/82/20/50/449822050.db2.gz QTZLDLLYDLIHCW-LBPRGKRZSA-N 0 3 338.360 1.804 20 5 EDBDHN CC[C@@H](NS(=O)(=O)CCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000601364804 449878202 /nfs/dbraw/zinc/87/82/02/449878202.db2.gz MHOCSTRJEZQNNY-CQSZACIVSA-N 0 3 329.422 1.917 20 5 EDBDHN CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595121341 449882400 /nfs/dbraw/zinc/88/24/00/449882400.db2.gz OSXRXDOVYVWREQ-SNVBAGLBSA-N 0 3 335.813 1.900 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)cc1C ZINC000601421343 449938923 /nfs/dbraw/zinc/93/89/23/449938923.db2.gz FFJQIZQDUVXIHT-STQMWFEESA-N 0 3 341.433 1.925 20 5 EDBDHN Cc1cc(S(=O)(=O)NC(C)(C)CN(C)C)c(F)cc1[N+](=O)[O-] ZINC000601435427 449957556 /nfs/dbraw/zinc/95/75/56/449957556.db2.gz QQXJFYWBZSIQDR-UHFFFAOYSA-N 0 3 333.385 1.661 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CCN([C@H]4CCC[C@H]4O)CC3)nc2c1 ZINC000618279262 450115066 /nfs/dbraw/zinc/11/50/66/450115066.db2.gz FCFGMNMISRSPIQ-JKSUJKDBSA-N 0 3 345.403 1.502 20 5 EDBDHN COC(=O)C[C@]1(NCCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000613392702 450162603 /nfs/dbraw/zinc/16/26/03/450162603.db2.gz FZTPTMCDBBALDG-MRXNPFEDSA-N 0 3 338.360 1.676 20 5 EDBDHN CN1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000610481197 450236669 /nfs/dbraw/zinc/23/66/69/450236669.db2.gz OXXMTVXSSAQDPI-INIZCTEOSA-N 0 3 336.411 1.946 20 5 EDBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000610913436 450379099 /nfs/dbraw/zinc/37/90/99/450379099.db2.gz VTTYUXFDYDCBGU-AWEZNQCLSA-N 0 3 337.351 1.717 20 5 EDBDHN CN1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131956530 536477295 /nfs/dbraw/zinc/47/72/95/536477295.db2.gz AICQXEPRQBSHAV-VIFPVBQESA-N 0 3 338.368 1.823 20 5 EDBDHN CCN(CCO)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000183997991 528548251 /nfs/dbraw/zinc/54/82/51/528548251.db2.gz QYPLZNDNBPEUEZ-UHFFFAOYSA-N 0 3 336.392 1.213 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000345873704 536363790 /nfs/dbraw/zinc/36/37/90/536363790.db2.gz IFADKNSPOQVJQY-HONMWMINSA-N 0 3 334.376 1.426 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000353187277 536476793 /nfs/dbraw/zinc/47/67/93/536476793.db2.gz BGTIJOJZACFJAH-KGLIPLIRSA-N 0 3 338.360 1.396 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000353232781 536477216 /nfs/dbraw/zinc/47/72/16/536477216.db2.gz LULLUSJKUSGJHJ-QWHCGFSZSA-N 0 3 338.360 1.804 20 5 EDBDHN COc1ccc(CC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000727675789 578537116 /nfs/dbraw/zinc/53/71/16/578537116.db2.gz SHMFERNJYFBPEL-ZIAGYGMSSA-N 0 3 349.387 1.125 20 5 EDBDHN CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CN2CCC1CC2 ZINC000732159095 578694966 /nfs/dbraw/zinc/69/49/66/578694966.db2.gz FIPRZHBUWBYWAL-INIZCTEOSA-N 0 3 343.387 1.497 20 5 EDBDHN O=[N+]([O-])c1c(N2CCN(CC3CCOCC3)CC2)nc2ccccn21 ZINC000736299854 578975180 /nfs/dbraw/zinc/97/51/80/578975180.db2.gz XOPFIDWZPYEACR-UHFFFAOYSA-N 0 3 345.403 1.791 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CN4CCC[C@H]4CO3)c21 ZINC000754026873 579894264 /nfs/dbraw/zinc/89/42/64/579894264.db2.gz VVTWYCHTUGPCLC-RYUDHWBXSA-N 0 3 329.360 1.813 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000758331012 579980084 /nfs/dbraw/zinc/98/00/84/579980084.db2.gz LWCVVIGZOMLIDC-NHYWBVRUSA-N 0 3 343.387 1.543 20 5 EDBDHN COc1ccc(NNC(=S)NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000767694358 580197147 /nfs/dbraw/zinc/19/71/47/580197147.db2.gz YQOUZBPEKORFES-UHFFFAOYSA-N 0 3 339.421 1.489 20 5 EDBDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768841344 580221938 /nfs/dbraw/zinc/22/19/38/580221938.db2.gz GACROTXMGFGLRK-GXSJLCMTSA-N 0 3 333.435 1.617 20 5 EDBDHN COc1ccc(CN[C@@H](C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000892713981 591144269 /nfs/dbraw/zinc/14/42/69/591144269.db2.gz KVHKRKSBKFCEOZ-CMPLNLGQSA-N 0 3 328.390 1.516 20 5 EDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000892929301 591228825 /nfs/dbraw/zinc/22/88/25/591228825.db2.gz GKUYNXQIQHWASO-HOTGVXAUSA-N 0 3 348.403 1.852 20 5 EDBDHN C[C@@H]1[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCN1C ZINC000895734764 591264626 /nfs/dbraw/zinc/26/46/26/591264626.db2.gz AEJYCYWOHLEYJQ-UKRRQHHQSA-N 0 3 334.420 1.932 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CCC23CCN(C)CC3)c1[N+](=O)[O-] ZINC000897133967 591747736 /nfs/dbraw/zinc/74/77/36/591747736.db2.gz VAEZFLYKCCYROQ-UHFFFAOYSA-N 0 3 334.376 1.759 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906676648 592258388 /nfs/dbraw/zinc/25/83/88/592258388.db2.gz ODLFUZDXZJQJHW-NSHDSACASA-N 0 3 335.360 1.580 20 5 EDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CN1CCOCC1 ZINC000839674342 593368052 /nfs/dbraw/zinc/36/80/52/593368052.db2.gz NJPHBIRFMGRKAD-MRXNPFEDSA-N 0 3 337.420 1.671 20 5 EDBDHN COc1ccc(C(=O)N2CCC[C@H]2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105399 593517639 /nfs/dbraw/zinc/51/76/39/593517639.db2.gz YSXZVLCBTRMYOB-RISCZKNCSA-N 0 3 336.344 1.508 20 5 EDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)[N+](=O)[O-] ZINC000813111424 593518631 /nfs/dbraw/zinc/51/86/31/593518631.db2.gz HASLINRHASHFTJ-BXUZGUMPSA-N 0 3 332.356 1.737 20 5 EDBDHN Cc1ccc(-n2cnnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112764 593518814 /nfs/dbraw/zinc/51/88/14/593518814.db2.gz KNMFQHJVCWBGAK-LLVKDONJSA-N 0 3 336.373 1.876 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CCN(c3ccccn3)C2)c1 ZINC000819189488 593743561 /nfs/dbraw/zinc/74/35/61/593743561.db2.gz HLANXCQRLJVSEH-HOCLYGCPSA-N 0 3 328.372 1.892 20 5 EDBDHN CC1(C)OCC(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CO1 ZINC000819225920 593745566 /nfs/dbraw/zinc/74/55/66/593745566.db2.gz JOPSQDPSSKLZQK-CYBMUJFWSA-N 0 3 326.349 1.076 20 5 EDBDHN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000819305083 593749630 /nfs/dbraw/zinc/74/96/30/593749630.db2.gz LWPIXFHOXCKUHA-ZWNOBZJWSA-N 0 3 328.390 1.184 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2CCCS(=O)(=O)C2)c1 ZINC000819313175 593750180 /nfs/dbraw/zinc/75/01/80/593750180.db2.gz YLAVVYCIMAEHAQ-RISCZKNCSA-N 0 3 328.390 1.043 20 5 EDBDHN C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820752425 593881512 /nfs/dbraw/zinc/88/15/12/593881512.db2.gz MXWAEELEROZUFY-PELKAZGASA-N 0 3 330.352 1.065 20 5 EDBDHN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820752425 593881514 /nfs/dbraw/zinc/88/15/14/593881514.db2.gz MXWAEELEROZUFY-PELKAZGASA-N 0 3 330.352 1.065 20 5 EDBDHN C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820752425 593881516 /nfs/dbraw/zinc/88/15/16/593881516.db2.gz MXWAEELEROZUFY-PELKAZGASA-N 0 3 330.352 1.065 20 5 EDBDHN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820752425 593881517 /nfs/dbraw/zinc/88/15/17/593881517.db2.gz MXWAEELEROZUFY-PELKAZGASA-N 0 3 330.352 1.065 20 5 EDBDHN Nc1ccc(NC(=O)NC[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000823932801 593889858 /nfs/dbraw/zinc/88/98/58/593889858.db2.gz FCSZAIQLLPEUHY-GFCCVEGCSA-N 0 3 337.380 1.145 20 5 EDBDHN C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824606525 594046675 /nfs/dbraw/zinc/04/66/75/594046675.db2.gz PTGRAIGOAVBEBT-SNVBAGLBSA-N 0 3 328.336 1.322 20 5 EDBDHN CC(C)(CCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1)[N+](=O)[O-] ZINC000822836550 594109086 /nfs/dbraw/zinc/10/90/86/594109086.db2.gz HRMBHIMJMCEPRC-AWEZNQCLSA-N 0 3 327.425 1.535 20 5 EDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCN1C1CCCCCC1 ZINC000826673372 594551693 /nfs/dbraw/zinc/55/16/93/594551693.db2.gz JBPZXXAJZUSNBR-AWEZNQCLSA-N 0 3 335.408 1.705 20 5 EDBDHN CCO[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)CN(C)C ZINC000831751126 594699274 /nfs/dbraw/zinc/69/92/74/594699274.db2.gz DQCHVPHGZDRTMN-GFCCVEGCSA-N 0 3 343.355 1.196 20 5 EDBDHN CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)CN(C)C ZINC000831770608 594701549 /nfs/dbraw/zinc/70/15/49/594701549.db2.gz AVQFCMPRJMRXFC-ZDUSSCGKSA-N 0 3 338.408 1.357 20 5 EDBDHN CC([C@@H](OC(=O)CCCCNC(N)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874938 595085849 /nfs/dbraw/zinc/08/58/49/595085849.db2.gz KHVAFZFGOSUZHV-QMTHXVAHSA-N 0 3 341.339 1.914 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H](O)c1ccccn1 ZINC000843095597 595286519 /nfs/dbraw/zinc/28/65/19/595286519.db2.gz OHASOXQURDDBIJ-WFASDCNBSA-N 0 3 333.344 1.053 20 5 EDBDHN CC(C)(C)[C@H](O)C[C@@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843103566 595287551 /nfs/dbraw/zinc/28/75/51/595287551.db2.gz BKQCQWYGCHEGCJ-NWANDNLSSA-N 0 3 326.393 1.376 20 5 EDBDHN COC(=O)CC1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000844386090 595335270 /nfs/dbraw/zinc/33/52/70/595335270.db2.gz LPVWFKLZCAEVCD-UHFFFAOYSA-N 0 3 339.323 1.748 20 5 EDBDHN CN1CC[C@@H]2CN(CN3CC[C@@H](c4ccc([N+](=O)[O-])cc4)C3=O)C[C@@H]21 ZINC000848488014 595393671 /nfs/dbraw/zinc/39/36/71/595393671.db2.gz DBWUWSFTPKBVKF-PVAVHDDUSA-N 0 3 344.415 1.504 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC[N@@H+](C)C2)cc1F ZINC000867374683 595410328 /nfs/dbraw/zinc/41/03/28/595410328.db2.gz KLUDOOYHZGJOSQ-SNVBAGLBSA-N 0 3 331.369 1.272 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC[N@H+](C)C2)cc1F ZINC000867374683 595410329 /nfs/dbraw/zinc/41/03/29/595410329.db2.gz KLUDOOYHZGJOSQ-SNVBAGLBSA-N 0 3 331.369 1.272 20 5 EDBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](F)[C@H](N)C1 ZINC000852761377 595531508 /nfs/dbraw/zinc/53/15/08/595531508.db2.gz VJTPNZZWWUECTR-GGZOMVNGSA-N 0 3 344.774 1.946 20 5 EDBDHN COC(=O)c1ccnc(NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000856726386 596060594 /nfs/dbraw/zinc/06/05/94/596060594.db2.gz FHFWEMXGYOVCME-QWRGUYRKSA-N 0 3 336.348 1.052 20 5 EDBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1COCCO1 ZINC000852495146 596181859 /nfs/dbraw/zinc/18/18/59/596181859.db2.gz HXODCSMLXNNGLU-LBPRGKRZSA-N 0 3 341.339 1.410 20 5 EDBDHN CN1CC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000867808690 596561171 /nfs/dbraw/zinc/56/11/71/596561171.db2.gz OCCBJTSKTMBVLR-NWDGAFQWSA-N 0 3 325.390 1.310 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCSC1 ZINC000866333231 596860126 /nfs/dbraw/zinc/86/01/26/596860126.db2.gz IJVMKBRJRCNJAQ-OAHLLOKOSA-N 0 3 341.408 1.830 20 5 EDBDHN COCCN1[C@H](C)CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000878760584 597702748 /nfs/dbraw/zinc/70/27/48/597702748.db2.gz BQNORXIWSOJJPK-BETUJISGSA-N 0 3 325.413 1.141 20 5 EDBDHN CN(C(=O)CN1CC[C@@H]2[C@@H]1CCCN2C)c1ccc([N+](=O)[O-])cc1 ZINC000880132776 597851091 /nfs/dbraw/zinc/85/10/91/597851091.db2.gz FXMQVFNHBYRGJK-CVEARBPZSA-N 0 3 332.404 1.726 20 5 EDBDHN Cc1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000915649413 695960474 /nfs/dbraw/zinc/96/04/74/695960474.db2.gz SLKBXNQDGGZJLK-UHFFFAOYSA-N 0 3 348.403 1.235 20 5 EDBDHN C[C@@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCCN1 ZINC000180903110 234024606 /nfs/dbraw/zinc/02/46/06/234024606.db2.gz BZQXXSDHRXNQFX-KRWDZBQOSA-N 0 3 332.404 1.776 20 5 EDBDHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184364733 235377729 /nfs/dbraw/zinc/37/77/29/235377729.db2.gz KJFFAYVMXZAJLF-UHFFFAOYSA-N 0 3 336.392 1.408 20 5 EDBDHN CNC(=O)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026341693 202141229 /nfs/dbraw/zinc/14/12/29/202141229.db2.gz JTBKBFBVMWHUIJ-UHFFFAOYSA-N 0 3 334.376 1.381 20 5 EDBDHN CN(CCc1ccccn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124988263 138331278 /nfs/dbraw/zinc/33/12/78/138331278.db2.gz DHBCAZUSXSPNHF-INIZCTEOSA-N 0 3 331.372 1.904 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000187214784 236148498 /nfs/dbraw/zinc/14/84/98/236148498.db2.gz CLNSOICOZGSACA-YVEFUNNKSA-N 0 3 345.403 1.907 20 5 EDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CN(C)C)c1 ZINC000153020577 201393208 /nfs/dbraw/zinc/39/32/08/201393208.db2.gz WZWAQQRDWAZNCB-AWEZNQCLSA-N 0 3 327.406 1.359 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F ZINC000414999607 304149720 /nfs/dbraw/zinc/14/97/20/304149720.db2.gz KKPMGOWNUDCSGH-MFKMUULPSA-N 0 3 342.346 1.899 20 5 EDBDHN CN(C)C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000130052688 205222552 /nfs/dbraw/zinc/22/25/52/205222552.db2.gz DGMXBHWOVCUECS-ZDUSSCGKSA-N 0 3 341.433 1.252 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)cc1C ZINC000237666949 139057437 /nfs/dbraw/zinc/05/74/37/139057437.db2.gz SNPIYHNQCNPBBI-GFCCVEGCSA-N 0 3 327.406 1.490 20 5 EDBDHN COc1cccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N(C)C)c1 ZINC000158954806 206217377 /nfs/dbraw/zinc/21/73/77/206217377.db2.gz BCWYNPQXJWDWMR-LBPRGKRZSA-N 0 3 333.348 1.359 20 5 EDBDHN C[C@H](N[C@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000248402512 139162202 /nfs/dbraw/zinc/16/22/02/139162202.db2.gz VJTXKLTZPKEOSR-TUAOUCFPSA-N 0 3 334.376 1.556 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000249244859 139189547 /nfs/dbraw/zinc/18/95/47/139189547.db2.gz XCFJUDJRFQXZFP-STQMWFEESA-N 0 3 348.403 1.783 20 5 EDBDHN N[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000262309291 139268925 /nfs/dbraw/zinc/26/89/25/139268925.db2.gz YQMVMKPHXWJBCS-DLBZAZTESA-N 0 3 341.367 1.927 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000175548380 207137213 /nfs/dbraw/zinc/13/72/13/207137213.db2.gz LJCBZPWBJOERSE-QWHCGFSZSA-N 0 3 347.419 1.931 20 5 EDBDHN N[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000262338808 139271401 /nfs/dbraw/zinc/27/14/01/139271401.db2.gz SMIJBMQFIYYNOW-JKSUJKDBSA-N 0 3 347.396 1.710 20 5 EDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000423487148 252054760 /nfs/dbraw/zinc/05/47/60/252054760.db2.gz VFOMMIKFFJGYFG-GWCFXTLKSA-N 0 3 342.346 1.899 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]2N)cn1 ZINC000424412802 252217579 /nfs/dbraw/zinc/21/75/79/252217579.db2.gz BPIVHRVMAGQJOI-UONOGXRCSA-N 0 3 330.348 1.287 20 5 EDBDHN CCCCN(C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000112311427 220300040 /nfs/dbraw/zinc/30/00/40/220300040.db2.gz UVQOKQHFWAXRMW-UHFFFAOYSA-N 0 3 346.391 1.637 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000488748283 255052218 /nfs/dbraw/zinc/05/22/18/255052218.db2.gz GQRLPIRCVYTQGE-BXUZGUMPSA-N 0 3 347.375 1.536 20 5 EDBDHN C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000490339883 255085150 /nfs/dbraw/zinc/08/51/50/255085150.db2.gz DAPHAFAFBILGSN-CHWSQXEVSA-N 0 3 338.412 1.353 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000118102979 221118100 /nfs/dbraw/zinc/11/81/00/221118100.db2.gz IHOAPPIZCFMHKM-CQSZACIVSA-N 0 3 334.376 1.298 20 5 EDBDHN CC(C)[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000118690722 221171114 /nfs/dbraw/zinc/17/11/14/221171114.db2.gz UKPKSXUNJASZAY-DOMZBBRYSA-N 0 3 335.408 1.589 20 5 EDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264128970 139381905 /nfs/dbraw/zinc/38/19/05/139381905.db2.gz LZQBYVHBYOKLMX-LBPRGKRZSA-N 0 3 329.422 1.745 20 5 EDBDHN COCCN(CCN(C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000264221967 139387927 /nfs/dbraw/zinc/38/79/27/139387927.db2.gz WEEPCTMHHBCYJM-UHFFFAOYSA-N 0 3 343.355 1.149 20 5 EDBDHN CN(C)CCn1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000570863861 306553134 /nfs/dbraw/zinc/55/31/34/306553134.db2.gz LPKDBOHWVBLEIL-UHFFFAOYSA-N 0 3 346.391 1.195 20 5 EDBDHN Cn1cc(CNC[C@@]2(O)CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269977672 140027544 /nfs/dbraw/zinc/02/75/44/140027544.db2.gz MNJNNVHDHSSWHR-INIZCTEOSA-N 0 3 332.360 1.236 20 5 EDBDHN CNC(=O)c1ccc(N2C[C@@H](SC)[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000270343252 140082347 /nfs/dbraw/zinc/08/23/47/140082347.db2.gz FNBVGDHZHFJHKL-ZIAGYGMSSA-N 0 3 338.433 1.436 20 5 EDBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270773699 140166029 /nfs/dbraw/zinc/16/60/29/140166029.db2.gz IIGPBEXGOVQDRG-UHFFFAOYSA-N 0 3 349.366 1.671 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCC2=CCN(C)CC2)cc1OC ZINC000271880656 140366332 /nfs/dbraw/zinc/36/63/32/140366332.db2.gz NAMBVOIAEPPTEB-UHFFFAOYSA-N 0 3 349.387 1.994 20 5 EDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346163019 143174003 /nfs/dbraw/zinc/17/40/03/143174003.db2.gz CTSXLCPGCUDCFO-GUTXKFCHSA-N 0 3 335.408 1.370 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)N(C)C1 ZINC000346708896 143235827 /nfs/dbraw/zinc/23/58/27/143235827.db2.gz SCINGKCUIHQIMI-QWHCGFSZSA-N 0 3 346.387 1.867 20 5 EDBDHN Cc1c(NC(=O)CCN2[C@@H](CO)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000347301953 143305655 /nfs/dbraw/zinc/30/56/55/143305655.db2.gz FCJFUYOERMAMDP-BETUJISGSA-N 0 3 337.376 1.049 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](COC(F)F)C2)c1 ZINC000353025746 149258006 /nfs/dbraw/zinc/25/80/06/149258006.db2.gz SDJCTKJUMDSUOA-WCQYABFASA-N 0 3 346.330 1.896 20 5 EDBDHN CCN1CC[C@@H]2OCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000355390333 150249604 /nfs/dbraw/zinc/24/96/04/150249604.db2.gz UXBLCTDZFAFVDJ-HOTGVXAUSA-N 0 3 333.388 1.459 20 5 EDBDHN O=C([C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)N1CCCCCC1 ZINC000369994155 155271157 /nfs/dbraw/zinc/27/11/57/155271157.db2.gz GMCWHIXIWRAEIC-HNNXBMFYSA-N 0 3 349.435 1.906 20 5 EDBDHN O=C([C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000370002940 155276571 /nfs/dbraw/zinc/27/65/71/155276571.db2.gz VCTIBBFOLZZYER-CQSZACIVSA-N 0 3 335.408 1.516 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000357407949 151022671 /nfs/dbraw/zinc/02/26/71/151022671.db2.gz FYKBVDWRPQMPMB-GWCFXTLKSA-N 0 3 335.360 1.594 20 5 EDBDHN COc1ccc(OCCN(CCO)[C@@H]2CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000361587836 286346408 /nfs/dbraw/zinc/34/64/08/286346408.db2.gz XBRDODWIUQRPLV-GXTWGEPZSA-N 0 3 340.376 1.454 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363834910 153070416 /nfs/dbraw/zinc/07/04/16/153070416.db2.gz RRDDXURLYFKFSZ-DKTLHIEFSA-N 0 3 345.399 1.978 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363834913 153070430 /nfs/dbraw/zinc/07/04/30/153070430.db2.gz RRDDXURLYFKFSZ-FIRJTHROSA-N 0 3 345.399 1.978 20 5 EDBDHN COC(=O)[C@]12CCC[C@@H]1CN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000371710137 156072166 /nfs/dbraw/zinc/07/21/66/156072166.db2.gz XNUUDPGKFCHIIT-WBMJQRKESA-N 0 3 335.360 1.032 20 5 EDBDHN COc1ccc(OCCN2CCC(c3nnc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000371925671 156168552 /nfs/dbraw/zinc/16/85/52/156168552.db2.gz APAMRLZDSMFNOG-UHFFFAOYSA-N 0 3 347.375 1.980 20 5 EDBDHN COc1ccc(OCCN2CCC(c3nc[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000371925671 156168556 /nfs/dbraw/zinc/16/85/56/156168556.db2.gz APAMRLZDSMFNOG-UHFFFAOYSA-N 0 3 347.375 1.980 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067595259 287246361 /nfs/dbraw/zinc/24/63/61/287246361.db2.gz XEGPFRQNNSRPLP-AWEZNQCLSA-N 0 3 334.420 1.659 20 5 EDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CNC[C@H]1CCCO1 ZINC000237256414 273008710 /nfs/dbraw/zinc/00/87/10/273008710.db2.gz LKKSYEJCCHFZLV-CYBMUJFWSA-N 0 3 341.795 1.975 20 5 EDBDHN COc1ccc(NC(=O)CN[C@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000274128121 268107296 /nfs/dbraw/zinc/10/72/96/268107296.db2.gz XZRCAODZTFWXIR-GFCCVEGCSA-N 0 3 325.365 1.539 20 5 EDBDHN COc1ccc(CNC(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000274531571 268158264 /nfs/dbraw/zinc/15/82/64/268158264.db2.gz QXWNVPPBIVRFGI-UHFFFAOYSA-N 0 3 336.392 1.839 20 5 EDBDHN CN(C)C1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000275522951 268354826 /nfs/dbraw/zinc/35/48/26/268354826.db2.gz VRUSXWHWAZQHAG-UHFFFAOYSA-N 0 3 327.406 1.499 20 5 EDBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)NC ZINC000275983537 273139320 /nfs/dbraw/zinc/13/93/20/273139320.db2.gz YKRYUVJIOGUABY-LLVKDONJSA-N 0 3 347.462 1.604 20 5 EDBDHN C[C@@H]1COCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000277452715 273199538 /nfs/dbraw/zinc/19/95/38/273199538.db2.gz MBANCSMSWSHCSX-RISCZKNCSA-N 0 3 328.390 1.383 20 5 EDBDHN C[C@@H]1NC(=O)CC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282449626 273653740 /nfs/dbraw/zinc/65/37/40/273653740.db2.gz SIYVKIMZJJDOMI-GZMMTYOYSA-N 0 3 340.767 1.443 20 5 EDBDHN C[C@@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000282655042 273695413 /nfs/dbraw/zinc/69/54/13/273695413.db2.gz AZILYYCNCPQEFH-BXUZGUMPSA-N 0 3 346.387 1.713 20 5 EDBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285120748 274457724 /nfs/dbraw/zinc/45/77/24/274457724.db2.gz MOISVJGDANBWQG-UHFFFAOYSA-N 0 3 335.339 1.661 20 5 EDBDHN CC(C)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000270924854 275700352 /nfs/dbraw/zinc/70/03/52/275700352.db2.gz DIDCBKXIFIIEAH-ZDUSSCGKSA-N 0 3 337.424 1.815 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(N2CCN([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000450896085 281012317 /nfs/dbraw/zinc/01/23/17/281012317.db2.gz ZRLMVHRYPMVAEL-CQSZACIVSA-N 0 3 332.404 1.694 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)[C@H](C)OC ZINC000290481908 288905556 /nfs/dbraw/zinc/90/55/56/288905556.db2.gz HHKGCJQFKMNSQG-MXWKQRLJSA-N 0 3 325.365 1.943 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000291275518 289029699 /nfs/dbraw/zinc/02/96/99/289029699.db2.gz LNEKLQUROINPBY-UHFFFAOYSA-N 0 3 348.403 1.648 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CNCCC1(F)F ZINC000420442855 304758667 /nfs/dbraw/zinc/75/86/67/304758667.db2.gz KUBZLKTZAHKHAV-GFCCVEGCSA-N 0 3 349.359 1.433 20 5 EDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCO2 ZINC000174705636 302953592 /nfs/dbraw/zinc/95/35/92/302953592.db2.gz LOEDEYQHWHMOPZ-GXFFZTMASA-N 0 3 334.332 1.232 20 5 EDBDHN CC1(C)OCC[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000293655602 302998870 /nfs/dbraw/zinc/99/88/70/302998870.db2.gz IUWSXWFKHBVYFM-CYBMUJFWSA-N 0 3 343.405 1.030 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000295824833 303272682 /nfs/dbraw/zinc/27/26/82/303272682.db2.gz VOWBKMYVTSMSMX-WDEREUQCSA-N 0 3 325.365 1.539 20 5 EDBDHN C[C@H](CN1CCCCC1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000298477436 303527223 /nfs/dbraw/zinc/52/72/23/303527223.db2.gz SYCPKLUYHVSSNB-LLVKDONJSA-N 0 3 342.421 1.529 20 5 EDBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2CNCCC2(F)F)n1 ZINC000423466549 304896938 /nfs/dbraw/zinc/89/69/38/304896938.db2.gz ASDXCADJWAPBLH-UTUOFQBUSA-N 0 3 329.351 1.862 20 5 EDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000429770885 305036692 /nfs/dbraw/zinc/03/66/92/305036692.db2.gz GFJGGWDJTBSSOJ-KBPBESRZSA-N 0 3 334.376 1.062 20 5 EDBDHN C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000442327784 305228820 /nfs/dbraw/zinc/22/88/20/305228820.db2.gz BOGFAVROIYWDKF-LLVKDONJSA-N 0 3 332.360 1.300 20 5 EDBDHN CC(C)Oc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000521994524 305796955 /nfs/dbraw/zinc/79/69/55/305796955.db2.gz BWTGNHUNAFABTO-AWEZNQCLSA-N 0 3 335.364 1.124 20 5 EDBDHN CN(C)CCN(CCN(C)C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000532033509 305971867 /nfs/dbraw/zinc/97/18/67/305971867.db2.gz DGDGSONTSHHZNY-UHFFFAOYSA-N 0 3 336.436 1.479 20 5 EDBDHN CN(C)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000048184190 441269675 /nfs/dbraw/zinc/26/96/75/441269675.db2.gz BAEPUXNNSYKGBV-CQSZACIVSA-N 0 3 331.376 1.080 20 5 EDBDHN CCOc1cc(C(=O)NC[C@H](C)N(C)C)c([N+](=O)[O-])cc1OC ZINC000025149085 441332313 /nfs/dbraw/zinc/33/23/13/441332313.db2.gz GPFPIHMSWKGDBY-JTQLQIEISA-N 0 3 325.365 1.682 20 5 EDBDHN CN1CCN(CCCCNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000050111290 441373088 /nfs/dbraw/zinc/37/30/88/441373088.db2.gz KIDUZUPVOOHLBS-UHFFFAOYSA-N 0 3 349.435 1.422 20 5 EDBDHN CCN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087356876 441488385 /nfs/dbraw/zinc/48/83/85/441488385.db2.gz WDBUMERRSPQCPO-UHFFFAOYSA-N 0 3 344.209 1.968 20 5 EDBDHN CN(C)CCN1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000075669327 441547357 /nfs/dbraw/zinc/54/73/57/441547357.db2.gz ZOTUPTXABJFCJS-UHFFFAOYSA-N 0 3 338.437 1.742 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067134629 441608945 /nfs/dbraw/zinc/60/89/45/441608945.db2.gz GQPUTENXCTXNHZ-CQSZACIVSA-N 0 3 344.375 1.390 20 5 EDBDHN C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000041644046 441666039 /nfs/dbraw/zinc/66/60/39/441666039.db2.gz AFDMQWFQHQFSKM-STQMWFEESA-N 0 3 348.403 1.912 20 5 EDBDHN COCCN(C)CCCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000067548206 441651754 /nfs/dbraw/zinc/65/17/54/441651754.db2.gz QZPATWFZQWNFGI-UHFFFAOYSA-N 0 3 325.365 1.302 20 5 EDBDHN COc1ccc(CC(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000067906917 441694797 /nfs/dbraw/zinc/69/47/97/441694797.db2.gz ONLXINVQYVCIOL-CYBMUJFWSA-N 0 3 335.404 1.994 20 5 EDBDHN CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000068127864 441738669 /nfs/dbraw/zinc/73/86/69/441738669.db2.gz BDMKDJCDKSVNKI-UHFFFAOYSA-N 0 3 336.392 1.570 20 5 EDBDHN CN1CC[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000137574828 441773771 /nfs/dbraw/zinc/77/37/71/441773771.db2.gz ZJNBFVRHBSLYHW-GFCCVEGCSA-N 0 3 329.360 1.462 20 5 EDBDHN C[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000117035545 441863192 /nfs/dbraw/zinc/86/31/92/441863192.db2.gz QLOBGDGLWGRHTL-DOMZBBRYSA-N 0 3 336.392 1.628 20 5 EDBDHN COC(=O)C(C)(C)CN[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000151797443 442121821 /nfs/dbraw/zinc/12/18/21/442121821.db2.gz OMQHBPSMBQFWCQ-CYBMUJFWSA-N 0 3 335.360 1.489 20 5 EDBDHN CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000152136330 442170151 /nfs/dbraw/zinc/17/01/51/442170151.db2.gz JQSHGEUNDNWGSN-NSHDSACASA-N 0 3 342.421 1.351 20 5 EDBDHN Cc1nn(CCC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000120941012 442154957 /nfs/dbraw/zinc/15/49/57/442154957.db2.gz RUCVRAFSODLENL-FZMZJTMJSA-N 0 3 337.424 1.597 20 5 EDBDHN COCCN1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000127633690 442217562 /nfs/dbraw/zinc/21/75/62/442217562.db2.gz ABUDLDDIVLSLBG-UHFFFAOYSA-N 0 3 335.404 1.754 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000128110192 442245641 /nfs/dbraw/zinc/24/56/41/442245641.db2.gz BCCIDTKMLJGUFZ-CYBMUJFWSA-N 0 3 343.387 1.995 20 5 EDBDHN CN(CC1CCN(C)CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153260113 442271949 /nfs/dbraw/zinc/27/19/49/442271949.db2.gz GOOANNGVFDBYMA-UHFFFAOYSA-N 0 3 341.433 1.698 20 5 EDBDHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172017328 442400050 /nfs/dbraw/zinc/40/00/50/442400050.db2.gz ZQZXJDVTFVGKGC-LBPRGKRZSA-N 0 3 329.422 1.912 20 5 EDBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000179718257 442494537 /nfs/dbraw/zinc/49/45/37/442494537.db2.gz MQHZLURBPXYUMQ-ZDUSSCGKSA-N 0 3 331.376 1.428 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCNCC2)c1 ZINC000193232658 442724667 /nfs/dbraw/zinc/72/46/67/442724667.db2.gz MCIQRTIOJHOCIS-UHFFFAOYSA-N 0 3 333.797 1.541 20 5 EDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182140940 442739283 /nfs/dbraw/zinc/73/92/83/442739283.db2.gz ZDTMIZHSUJPTKY-JQWIXIFHSA-N 0 3 335.360 1.736 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000193871783 442802138 /nfs/dbraw/zinc/80/21/38/442802138.db2.gz WEOXCDZAWPFJJS-SNVBAGLBSA-N 0 3 343.380 1.497 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000193871783 442802144 /nfs/dbraw/zinc/80/21/44/442802144.db2.gz WEOXCDZAWPFJJS-SNVBAGLBSA-N 0 3 343.380 1.497 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1CCCCC1 ZINC000193949629 442817415 /nfs/dbraw/zinc/81/74/15/442817415.db2.gz MXPNUBWLSNJYFR-UHFFFAOYSA-N 0 3 336.392 1.889 20 5 EDBDHN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000182322743 318504013 /nfs/dbraw/zinc/50/40/13/318504013.db2.gz QNWNCIGIKWWANN-CABCVRRESA-N 0 3 342.417 1.916 20 5 EDBDHN COc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)cc([N+](=O)[O-])c1OC ZINC000265932732 442974451 /nfs/dbraw/zinc/97/44/51/442974451.db2.gz GLWUBAYFMASXBR-SNVBAGLBSA-N 0 3 337.376 1.825 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)NCCCN2CCCC2)c1[N+](=O)[O-] ZINC000189810705 443015633 /nfs/dbraw/zinc/01/56/33/443015633.db2.gz AVJRXMVHCQFQAN-UHFFFAOYSA-N 0 3 341.433 1.976 20 5 EDBDHN CCN1CCC(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000266098098 443016902 /nfs/dbraw/zinc/01/69/02/443016902.db2.gz SDZXAMAEMPNMIR-UHFFFAOYSA-N 0 3 337.376 1.826 20 5 EDBDHN CCN1CCCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000272441268 443318308 /nfs/dbraw/zinc/31/83/08/443318308.db2.gz DUSDNKOWUSASTC-LLVKDONJSA-N 0 3 342.421 1.529 20 5 EDBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCNC1=O ZINC000282405775 443329327 /nfs/dbraw/zinc/32/93/27/443329327.db2.gz PWOFLNHVKOAURY-CYBMUJFWSA-N 0 3 338.339 1.273 20 5 EDBDHN O=C(CNC1(CO)CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264602449 443342938 /nfs/dbraw/zinc/34/29/38/443342938.db2.gz FLAYENYAWMDSQV-UHFFFAOYSA-N 0 3 343.767 1.318 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267129252 443351873 /nfs/dbraw/zinc/35/18/73/443351873.db2.gz RFZKJJZVWPWLHB-OAHLLOKOSA-N 0 3 339.417 1.527 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420446332 319620612 /nfs/dbraw/zinc/62/06/12/319620612.db2.gz BCWOJDDXAQSJSA-IUCAKERBSA-N 0 3 347.368 1.148 20 5 EDBDHN COc1cc(OCC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272687975 443409458 /nfs/dbraw/zinc/40/94/58/443409458.db2.gz WOIUHMAGWGJRHV-SWLSCSKDSA-N 0 3 349.387 1.535 20 5 EDBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000272257256 443570740 /nfs/dbraw/zinc/57/07/40/443570740.db2.gz UMKGQSUQQKMPRE-GWCFXTLKSA-N 0 3 345.396 1.613 20 5 EDBDHN CC(C)(C(=O)Nc1ccc2c(c1)CNCC2)n1cc([N+](=O)[O-])cn1 ZINC000429350669 319926962 /nfs/dbraw/zinc/92/69/62/319926962.db2.gz QNRGFFXSADBBCW-UHFFFAOYSA-N 0 3 329.360 1.811 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448974163 320168481 /nfs/dbraw/zinc/16/84/81/320168481.db2.gz AMOXXCRSFROXQO-ZDUSSCGKSA-N 0 3 329.360 1.809 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000298425803 443767110 /nfs/dbraw/zinc/76/71/10/443767110.db2.gz PVULFMLAJYNUCR-LBPRGKRZSA-N 0 3 336.348 1.978 20 5 EDBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)N1CCOCC1 ZINC000284485892 443777171 /nfs/dbraw/zinc/77/71/71/443777171.db2.gz BEGSQZFICCEWSP-CZUORRHYSA-N 0 3 333.388 1.522 20 5 EDBDHN CN1CC[C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[C@H]2C1 ZINC000285076477 443846237 /nfs/dbraw/zinc/84/62/37/443846237.db2.gz PODUINYFUZSGHS-YGRLFVJLSA-N 0 3 329.360 1.774 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CC[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000285114992 443861391 /nfs/dbraw/zinc/86/13/91/443861391.db2.gz RDWZILLGDRBVMS-WCQYABFASA-N 0 3 334.376 1.615 20 5 EDBDHN CCS(=O)(=O)NCCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285450800 443989480 /nfs/dbraw/zinc/98/94/80/443989480.db2.gz YMKPGXCCRBYXNE-UHFFFAOYSA-N 0 3 329.422 1.399 20 5 EDBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])c3nonc32)CC1(C)C ZINC000281613224 443958709 /nfs/dbraw/zinc/95/87/09/443958709.db2.gz JHJWFLOQCRBCEU-UHFFFAOYSA-N 0 3 334.380 1.569 20 5 EDBDHN CN(C)CCOc1ccc(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000549182766 320903627 /nfs/dbraw/zinc/90/36/27/320903627.db2.gz AGGMJLMZDOSGGP-UHFFFAOYSA-N 0 3 347.375 1.231 20 5 EDBDHN CCN1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000299289739 444007264 /nfs/dbraw/zinc/00/72/64/444007264.db2.gz IYFVNMZFMNJUQV-UHFFFAOYSA-N 0 3 325.340 1.713 20 5 EDBDHN CN1CCN(CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000281793813 444007817 /nfs/dbraw/zinc/00/78/17/444007817.db2.gz OFCATVGDEKUULC-CMDGGOBGSA-N 0 3 346.431 1.750 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000571236882 321379086 /nfs/dbraw/zinc/37/90/86/321379086.db2.gz NCZNTTSOUMLZQN-UHFFFAOYSA-N 0 3 347.419 1.351 20 5 EDBDHN C[C@@H]1CN(CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCO1 ZINC000278152968 444108481 /nfs/dbraw/zinc/10/84/81/444108481.db2.gz OAXPTMVRDYIGRH-LLVKDONJSA-N 0 3 337.380 1.002 20 5 EDBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000278270777 444125261 /nfs/dbraw/zinc/12/52/61/444125261.db2.gz ARNVEJVTAFQKOL-LLVKDONJSA-N 0 3 347.375 1.821 20 5 EDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)nc1 ZINC000302243532 444211038 /nfs/dbraw/zinc/21/10/38/444211038.db2.gz ZBSQFKZJWJXOJJ-DZGCQCFKSA-N 0 3 329.360 1.432 20 5 EDBDHN COC[C@@]1(C(=O)OC)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296273517 444216552 /nfs/dbraw/zinc/21/65/52/444216552.db2.gz MKMFXKVDQLHXLR-MRXNPFEDSA-N 0 3 338.360 1.485 20 5 EDBDHN C[C@H](O)CN(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289939428 444221712 /nfs/dbraw/zinc/22/17/12/444221712.db2.gz VIAVQOSPVDPLGK-LBPRGKRZSA-N 0 3 335.360 1.467 20 5 EDBDHN CCN1CCN(CCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000296521248 444236335 /nfs/dbraw/zinc/23/63/35/444236335.db2.gz MSNXDTDFODOGIJ-UHFFFAOYSA-N 0 3 332.408 1.911 20 5 EDBDHN NC(=O)c1ccc(NCCCNCc2cccnc2)c([N+](=O)[O-])c1 ZINC000325034141 444361696 /nfs/dbraw/zinc/36/16/96/444361696.db2.gz NEKVQUVZJWLAIL-UHFFFAOYSA-N 0 3 329.360 1.681 20 5 EDBDHN O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3CN4CCC[C@H]4CO3)cc2N1 ZINC000327488239 444383264 /nfs/dbraw/zinc/38/32/64/444383264.db2.gz XMKJXONLQJBKMG-QWRGUYRKSA-N 0 3 348.359 1.201 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580217583 322025812 /nfs/dbraw/zinc/02/58/12/322025812.db2.gz QBNRIHZWXILSEW-WFASDCNBSA-N 0 3 343.387 1.958 20 5 EDBDHN Cn1cc2c(n1)CCC[C@H]2NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580555157 322066571 /nfs/dbraw/zinc/06/65/71/322066571.db2.gz GZGKKGDTSDRLNT-TZMCWYRMSA-N 0 3 346.387 1.735 20 5 EDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCCC1 ZINC000581052129 322128508 /nfs/dbraw/zinc/12/85/08/322128508.db2.gz NHTBQPPQMXLAHI-ZDUSSCGKSA-N 0 3 343.387 1.995 20 5 EDBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCN(CC2CCCC2)C1 ZINC000343961471 444695648 /nfs/dbraw/zinc/69/56/48/444695648.db2.gz BSFJUZZLOPQFKB-AWEZNQCLSA-N 0 3 348.403 1.137 20 5 EDBDHN CC1(C)NC(=O)CC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000338595024 444763506 /nfs/dbraw/zinc/76/35/06/444763506.db2.gz CBPYIJYNRSHVDR-CQSZACIVSA-N 0 3 346.387 1.131 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC(=O)NC1(C)C ZINC000338598663 444767560 /nfs/dbraw/zinc/76/75/60/444767560.db2.gz RAZYIVQWNHIDOI-CYBMUJFWSA-N 0 3 334.376 1.489 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](n3cccn3)C2)c1 ZINC000338722445 444821105 /nfs/dbraw/zinc/82/11/05/444821105.db2.gz BWOUKIWZKCTTAR-JKSUJKDBSA-N 0 3 346.387 1.868 20 5 EDBDHN COc1cc(OCC(=O)NCCNc2ccncc2)ccc1[N+](=O)[O-] ZINC000341683769 444946087 /nfs/dbraw/zinc/94/60/87/444946087.db2.gz MZAINBOXMIJPKA-UHFFFAOYSA-N 0 3 346.343 1.027 20 5 EDBDHN Cc1cc([N+](=O)[O-])cnc1NC1CCN(CCC(=O)N(C)C)CC1 ZINC000344441261 444973610 /nfs/dbraw/zinc/97/36/10/444973610.db2.gz LDNPIVFICGIREG-UHFFFAOYSA-N 0 3 335.408 1.653 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)C(=O)COc2ccccc2[N+](=O)[O-])N(C)C1 ZINC000344501986 445015922 /nfs/dbraw/zinc/01/59/22/445015922.db2.gz BIUUHCVIXNFABL-QWHCGFSZSA-N 0 3 337.376 1.151 20 5 EDBDHN NC(=O)C[C@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339134924 445050315 /nfs/dbraw/zinc/05/03/15/445050315.db2.gz AHOBMVYUXRUOLA-OCCSQVGLSA-N 0 3 337.376 1.064 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCN1C ZINC000343467115 445228083 /nfs/dbraw/zinc/22/80/83/445228083.db2.gz ZGVFJIFPEFCYKP-WBMJQRKESA-N 0 3 343.387 1.993 20 5 EDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1C[C@H](F)CN1c1ccncn1 ZINC000348182809 445307880 /nfs/dbraw/zinc/30/78/80/445307880.db2.gz RQXBKSDVEWPXOJ-QWHCGFSZSA-N 0 3 349.370 1.130 20 5 EDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000348142377 445287723 /nfs/dbraw/zinc/28/77/23/445287723.db2.gz NFPOPKJTAOXMKA-QWHCGFSZSA-N 0 3 342.417 1.773 20 5 EDBDHN COc1cc(CN[C@@H](CC(N)=O)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000348279086 445336628 /nfs/dbraw/zinc/33/66/28/445336628.db2.gz NVZOYXRPCAXRSD-ZDUSSCGKSA-N 0 3 337.376 1.364 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000352125639 445509392 /nfs/dbraw/zinc/50/93/92/445509392.db2.gz KAIDGHSGYSPCQS-CQSZACIVSA-N 0 3 329.784 1.681 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000358414960 445619153 /nfs/dbraw/zinc/61/91/53/445619153.db2.gz QUQBOGFCULQOKQ-OAHLLOKOSA-N 0 3 341.408 1.830 20 5 EDBDHN C[C@@]1(c2ccc(F)cc2)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361637602 445860349 /nfs/dbraw/zinc/86/03/49/445860349.db2.gz AEYOGQSGVQHPCL-IAGOWNOFSA-N 0 3 348.378 1.955 20 5 EDBDHN Cc1csc(=O)n1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373282166 446141768 /nfs/dbraw/zinc/14/17/68/446141768.db2.gz AZKJWVLEWNPWES-UHFFFAOYSA-N 0 3 337.405 1.660 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000361946848 446096571 /nfs/dbraw/zinc/09/65/71/446096571.db2.gz YUAPOCLHVUIBKQ-OAHLLOKOSA-N 0 3 346.387 1.620 20 5 EDBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351493579 446097131 /nfs/dbraw/zinc/09/71/31/446097131.db2.gz LYXWTGSVCWWJOP-JTQLQIEISA-N 0 3 340.355 1.519 20 5 EDBDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351499570 446104712 /nfs/dbraw/zinc/10/47/12/446104712.db2.gz DQUYWSGMUMJTFW-GFCCVEGCSA-N 0 3 338.339 1.225 20 5 EDBDHN CCN1CCc2c(cccc2NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000366372048 446177202 /nfs/dbraw/zinc/17/72/02/446177202.db2.gz PKNHHBHDEKBWOF-UHFFFAOYSA-N 0 3 329.360 1.808 20 5 EDBDHN Cc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000366582620 446268384 /nfs/dbraw/zinc/26/83/84/446268384.db2.gz LNMXEEMQKIBSPY-HNNXBMFYSA-N 0 3 333.388 1.886 20 5 EDBDHN CN1CCC2(CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1=O ZINC000365718399 446313939 /nfs/dbraw/zinc/31/39/39/446313939.db2.gz POJGBSPRQFSZRW-UHFFFAOYSA-N 0 3 346.387 1.138 20 5 EDBDHN CO[C@]1(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000359630402 446327460 /nfs/dbraw/zinc/32/74/60/446327460.db2.gz DWOBMFXEAPBYGO-KRWDZBQOSA-N 0 3 346.387 1.890 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000433155159 446538350 /nfs/dbraw/zinc/53/83/50/446538350.db2.gz CWMZKAWZHSVIEZ-GVXVVHGQSA-N 0 3 337.376 1.945 20 5 EDBDHN N[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000420417080 446590181 /nfs/dbraw/zinc/59/01/81/446590181.db2.gz KJHWYTIDDFFGJV-OAHLLOKOSA-N 0 3 349.412 1.757 20 5 EDBDHN O=C(CCN1CCC[C@H]2C(=O)NC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411670878 446641261 /nfs/dbraw/zinc/64/12/61/446641261.db2.gz KZZJETQMESBMGT-ZIAGYGMSSA-N 0 3 332.360 1.134 20 5 EDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000619252359 450434381 /nfs/dbraw/zinc/43/43/81/450434381.db2.gz JAEPFFIGCCLDFH-OCCSQVGLSA-N 0 3 347.350 1.729 20 5 EDBDHN CCCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(N)=O ZINC000411755009 446668834 /nfs/dbraw/zinc/66/88/34/446668834.db2.gz GGKBKLBFFYFWDP-UHFFFAOYSA-N 0 3 338.364 1.129 20 5 EDBDHN CN1C(=O)N[C@@]2(CCC[C@H]2CNCc2ccccc2[N+](=O)[O-])C1=O ZINC000371092142 446623451 /nfs/dbraw/zinc/62/34/51/446623451.db2.gz ZFFKNBWKWKVXRB-BLLLJJGKSA-N 0 3 332.360 1.405 20 5 EDBDHN C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000418786085 446700855 /nfs/dbraw/zinc/70/08/55/446700855.db2.gz RSHOQABESQEWQJ-SLEUVZQESA-N 0 3 348.403 1.358 20 5 EDBDHN CN(C)C(=O)CN1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000371438246 446854726 /nfs/dbraw/zinc/85/47/26/446854726.db2.gz DKZZLGMSNUEWMQ-UHFFFAOYSA-N 0 3 334.420 1.233 20 5 EDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000420971427 446941936 /nfs/dbraw/zinc/94/19/36/446941936.db2.gz IDMAUONLEGRFPP-UHFFFAOYSA-N 0 3 327.406 1.605 20 5 EDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](N)[C@H](c2ccc(F)cc2)C1 ZINC000375923168 447151536 /nfs/dbraw/zinc/15/15/36/447151536.db2.gz SFXOOVCLPGWYLT-HOCLYGCPSA-N 0 3 344.346 1.883 20 5 EDBDHN Cc1cc(N[C@H]2CCN(CCN3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000372605656 447178138 /nfs/dbraw/zinc/17/81/38/447178138.db2.gz JHPUUXYZPRGTGH-AWEZNQCLSA-N 0 3 335.408 1.117 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425727331 447280730 /nfs/dbraw/zinc/28/07/30/447280730.db2.gz QYIVJXOZVYQHAH-GOEBONIOSA-N 0 3 332.404 1.873 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CN1C1CC1 ZINC000530767566 447953205 /nfs/dbraw/zinc/95/32/05/447953205.db2.gz QGENBSLUEMYRHA-WDEREUQCSA-N 0 3 347.371 1.721 20 5 EDBDHN CC(C)(C)OC(=O)NC[C@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000496870116 447986260 /nfs/dbraw/zinc/98/62/60/447986260.db2.gz GPZHDXVWAGZSDZ-MRXNPFEDSA-N 0 3 339.392 1.960 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000570223048 447967404 /nfs/dbraw/zinc/96/74/04/447967404.db2.gz LAHZTQCXFFPNIL-QCZZGDTMSA-N 0 3 337.376 1.679 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000531283517 448053113 /nfs/dbraw/zinc/05/31/13/448053113.db2.gz OTENBAJELGRIDO-NSHDSACASA-N 0 3 334.376 1.300 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2cccnc2)cc1 ZINC000570794330 448065794 /nfs/dbraw/zinc/06/57/94/448065794.db2.gz JWEGJVXCNQCKEU-UHFFFAOYSA-N 0 3 335.385 1.596 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492682539 448255361 /nfs/dbraw/zinc/25/53/61/448255361.db2.gz SZBDZGBIQZWSSZ-LZNQSLFOSA-N 0 3 346.431 1.750 20 5 EDBDHN C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000563373704 448298349 /nfs/dbraw/zinc/29/83/49/448298349.db2.gz KSWGOXJDBOYSAS-LBPRGKRZSA-N 0 3 343.387 1.822 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H](CO)c1cccnc1 ZINC000566233953 448423597 /nfs/dbraw/zinc/42/35/97/448423597.db2.gz ODWKROYVJAUGAO-CABCVRRESA-N 0 3 347.371 1.095 20 5 EDBDHN CC(C)(C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599938116 449117208 /nfs/dbraw/zinc/11/72/08/449117208.db2.gz MOMFHEFPAGGTHT-HZPDHXFCSA-N 0 3 347.415 1.540 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1C[C@@H](O)C12CCC2 ZINC000595779399 449160376 /nfs/dbraw/zinc/16/03/76/449160376.db2.gz DRHRQUIRBXFAIP-NZVBXONLSA-N 0 3 349.387 1.824 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1C[C@H](O)C12CCC2 ZINC000595779400 449160540 /nfs/dbraw/zinc/16/05/40/449160540.db2.gz DRHRQUIRBXFAIP-VQISRLSMSA-N 0 3 349.387 1.824 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000590442803 449163680 /nfs/dbraw/zinc/16/36/80/449163680.db2.gz HIXCUOGFFOGBHZ-CABZTGNLSA-N 0 3 341.314 1.972 20 5 EDBDHN COC(=O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCCC[C@H]12 ZINC000595736893 449138872 /nfs/dbraw/zinc/13/88/72/449138872.db2.gz NWKNTVWLKXMWFZ-MGPQQGTHSA-N 0 3 336.392 1.845 20 5 EDBDHN O=C1C[C@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CN1C1CC1 ZINC000593682096 449145194 /nfs/dbraw/zinc/14/51/94/449145194.db2.gz UDXKDVGGXYREAQ-LLVKDONJSA-N 0 3 347.371 1.467 20 5 EDBDHN Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000590399147 449147759 /nfs/dbraw/zinc/14/77/59/449147759.db2.gz CGYZGIHLOPCVNM-CVEARBPZSA-N 0 3 333.388 1.838 20 5 EDBDHN Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000590399158 449147794 /nfs/dbraw/zinc/14/77/94/449147794.db2.gz CGYZGIHLOPCVNM-HZPDHXFCSA-N 0 3 333.388 1.838 20 5 EDBDHN Cc1cccc(CN2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000601851010 449183770 /nfs/dbraw/zinc/18/37/70/449183770.db2.gz QWDYUWVVTWOLQA-HNNXBMFYSA-N 0 3 343.387 1.490 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)c2ccccc2O1 ZINC000611236648 449231414 /nfs/dbraw/zinc/23/14/14/449231414.db2.gz MRILCZFHAHROJG-NSHDSACASA-N 0 3 345.359 1.298 20 5 EDBDHN CO[C@@H]1COCC[C@@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658928 449235296 /nfs/dbraw/zinc/23/52/96/449235296.db2.gz REWORNSTEURDAP-BDJLRTHQSA-N 0 3 338.360 1.507 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595947802 449274427 /nfs/dbraw/zinc/27/44/27/449274427.db2.gz OCRUOVFYONTJMM-UHFFFAOYSA-N 0 3 331.332 1.096 20 5 EDBDHN COc1ccc(OCCN(C)[C@@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC000593992438 449315913 /nfs/dbraw/zinc/31/59/13/449315913.db2.gz QXSPEHKQCJSYTR-GFCCVEGCSA-N 0 3 337.376 1.535 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596081671 449353322 /nfs/dbraw/zinc/35/33/22/449353322.db2.gz ITIBMOWMBCVLKG-ZDUSSCGKSA-N 0 3 349.435 1.379 20 5 EDBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596081667 449353618 /nfs/dbraw/zinc/35/36/18/449353618.db2.gz ITIBMOWMBCVLKG-CYBMUJFWSA-N 0 3 349.435 1.379 20 5 EDBDHN O=C([C@H]1CN2CCC[C@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602131856 449369860 /nfs/dbraw/zinc/36/98/60/449369860.db2.gz DKWGIDMIMLXKAH-DLBZAZTESA-N 0 3 345.399 1.949 20 5 EDBDHN CCN1CCN([C@@H](C)CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702488 449388042 /nfs/dbraw/zinc/38/80/42/449388042.db2.gz UIYZHDBEMXDACL-ZDUSSCGKSA-N 0 3 344.419 1.976 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594325064 449450170 /nfs/dbraw/zinc/45/01/70/449450170.db2.gz AUIOCRJUQFMTIG-HUUCEWRRSA-N 0 3 346.387 1.666 20 5 EDBDHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000600620733 449462497 /nfs/dbraw/zinc/46/24/97/449462497.db2.gz UBMLOXFVVGKXRW-HRCADAONSA-N 0 3 333.388 1.966 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN1 ZINC000598576689 449472901 /nfs/dbraw/zinc/47/29/01/449472901.db2.gz YVUJQMSLKDCGRF-AWEZNQCLSA-N 0 3 343.387 1.851 20 5 EDBDHN CCC1(N2CCOCC2)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000600684435 449491554 /nfs/dbraw/zinc/49/15/54/449491554.db2.gz VZKKSMLZEWXGSI-UHFFFAOYSA-N 0 3 336.392 1.640 20 5 EDBDHN C[NH+](C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000594476599 449541296 /nfs/dbraw/zinc/54/12/96/449541296.db2.gz UNQGHFJCYSLRLS-JGZJWPJOSA-N 0 3 331.369 1.352 20 5 EDBDHN CN(C)CCN(CC(=O)N(C)C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000596463836 449515820 /nfs/dbraw/zinc/51/58/20/449515820.db2.gz TUPQTLCTFABXFG-UHFFFAOYSA-N 0 3 345.403 1.599 20 5 EDBDHN CC(C)Oc1nc(Nc2cnn(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000594545883 449569309 /nfs/dbraw/zinc/56/93/09/449569309.db2.gz NZSRIRDYUYHJTG-UHFFFAOYSA-N 0 3 334.380 2.279 20 5 EDBDHN COCCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000594549531 449572077 /nfs/dbraw/zinc/57/20/77/449572077.db2.gz CHDTZYDMRJDUCC-CYBMUJFWSA-N 0 3 338.408 2.300 20 5 EDBDHN CNC(=O)c1ccc(N2CCc3nccc(N)c3C2)c([N+](=O)[O-])c1 ZINC000598944114 449662312 /nfs/dbraw/zinc/66/23/12/449662312.db2.gz WUKRTHIJMUUWID-UHFFFAOYSA-N 0 3 327.344 1.494 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@H]2N)cn1 ZINC000598913973 449644107 /nfs/dbraw/zinc/64/41/07/449644107.db2.gz SQZXNFTVQLJPOT-WCQYABFASA-N 0 3 348.338 1.426 20 5 EDBDHN CC(C)C[C@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000601191443 449742552 /nfs/dbraw/zinc/74/25/52/449742552.db2.gz JBQGMISGSYIJDO-GJZGRUSLSA-N 0 3 349.435 1.979 20 5 EDBDHN CC[C@H]1C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000594918777 449807668 /nfs/dbraw/zinc/80/76/68/449807668.db2.gz SGNLRZWGKDEMFW-AAEUAGOBSA-N 0 3 343.405 1.030 20 5 EDBDHN CS[C@H]1CN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000602950567 449952659 /nfs/dbraw/zinc/95/26/59/449952659.db2.gz FVDNHCFWNWASRE-NEPJUHHUSA-N 0 3 339.421 1.229 20 5 EDBDHN COCCN(CCN(C)C)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609189076 449975382 /nfs/dbraw/zinc/97/53/82/449975382.db2.gz JJQFRCHBNQHREW-UHFFFAOYSA-N 0 3 339.392 1.183 20 5 EDBDHN C[C@@H]1CN(CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000595374608 450087739 /nfs/dbraw/zinc/08/77/39/450087739.db2.gz HPTRFVZWKNEWCQ-RBSFLKMASA-N 0 3 349.435 1.585 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000597573836 450117788 /nfs/dbraw/zinc/11/77/88/450117788.db2.gz JMSYAAXHKWPHCK-KRWDZBQOSA-N 0 3 347.371 1.870 20 5 EDBDHN COc1c(C(=O)N2CCC[C@@](O)(CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000597573638 450117947 /nfs/dbraw/zinc/11/79/47/450117947.db2.gz HEUHEEPMOIXONW-MRXNPFEDSA-N 0 3 337.376 1.132 20 5 EDBDHN CC(C)c1n[n-]c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000597575962 450119523 /nfs/dbraw/zinc/11/95/23/450119523.db2.gz AUKUXHVSXCIUFF-WDEREUQCSA-N 0 3 339.371 1.700 20 5 EDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CCN([C@H]2CCOC2)CC1 ZINC000595455143 450153502 /nfs/dbraw/zinc/15/35/02/450153502.db2.gz RGCUETGWALTENZ-INIZCTEOSA-N 0 3 348.403 1.647 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000597694509 450203012 /nfs/dbraw/zinc/20/30/12/450203012.db2.gz KSPZWQPJNSQBDZ-CABCVRRESA-N 0 3 349.387 1.539 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCN(C[C@H]4CCOC4)CC3)nc2c1 ZINC000618585086 450253054 /nfs/dbraw/zinc/25/30/54/450253054.db2.gz RPXQRBBWMDKQAE-GFCCVEGCSA-N 0 3 331.376 1.630 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC(C2CCOCC2)C1 ZINC000619706027 450312064 /nfs/dbraw/zinc/31/20/64/450312064.db2.gz GWUKULAOOVSNCG-OAHLLOKOSA-N 0 3 336.388 1.693 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000618924345 450342798 /nfs/dbraw/zinc/34/27/98/450342798.db2.gz YJQMHNNQMLALHI-HNNXBMFYSA-N 0 3 325.340 1.263 20 5 EDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000619481584 450485843 /nfs/dbraw/zinc/48/58/43/450485843.db2.gz IYVYKLCVHDESGA-AWEZNQCLSA-N 0 3 336.440 1.336 20 5 EDBDHN Cc1c(CC(=O)N2CCC[C@](O)(CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000619565859 450507715 /nfs/dbraw/zinc/50/77/15/450507715.db2.gz IZZXUMLRRUFUFD-KRWDZBQOSA-N 0 3 335.404 1.361 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000154085936 534112875 /nfs/dbraw/zinc/11/28/75/534112875.db2.gz WIBCOVGWKQBJTP-AAEUAGOBSA-N 0 3 329.360 1.711 20 5 EDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000263910285 535943204 /nfs/dbraw/zinc/94/32/04/535943204.db2.gz JCRAEKAZCAFIFM-ZDUSSCGKSA-N 0 3 344.375 1.342 20 5 EDBDHN COC(=O)c1cc(NC(=O)[C@H](N)CCSC)cc([N+](=O)[O-])c1 ZINC000269038873 536555351 /nfs/dbraw/zinc/55/53/51/536555351.db2.gz GTUZPJYHVGJCTQ-LLVKDONJSA-N 0 3 327.362 1.400 20 5 EDBDHN CN(C)C[C@H]1CN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCO1 ZINC000738203713 579171517 /nfs/dbraw/zinc/17/15/17/579171517.db2.gz CBPAMVWHUDKLKB-KRWDZBQOSA-N 0 3 345.403 1.678 20 5 EDBDHN CC(C)CN1CCO[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754250433 579899396 /nfs/dbraw/zinc/89/93/96/579899396.db2.gz HPLUTTVNVIWLKO-SJORKVTESA-N 0 3 337.420 1.575 20 5 EDBDHN COC(=O)C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000754513607 579904931 /nfs/dbraw/zinc/90/49/31/579904931.db2.gz GKGHFHYLQNHSCT-CQSZACIVSA-N 0 3 335.360 1.773 20 5 EDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000774537399 580364782 /nfs/dbraw/zinc/36/47/82/580364782.db2.gz SWMDCEYXRNHSIN-KBPBESRZSA-N 0 3 338.433 1.436 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000776591593 580423000 /nfs/dbraw/zinc/42/30/00/580423000.db2.gz KRULYUVTOBAGQI-YOEHRIQHSA-N 0 3 335.404 1.282 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000891345501 591051471 /nfs/dbraw/zinc/05/14/71/591051471.db2.gz WJOKKEVHFHCCFZ-ZDUSSCGKSA-N 0 3 329.360 1.789 20 5 EDBDHN CN(C)C[C@H]1CCCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892884763 591215143 /nfs/dbraw/zinc/21/51/43/591215143.db2.gz NSFIYBVTIAUJHY-GFCCVEGCSA-N 0 3 330.388 1.977 20 5 EDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000892929303 591228942 /nfs/dbraw/zinc/22/89/42/591228942.db2.gz GKUYNXQIQHWASO-JKSUJKDBSA-N 0 3 348.403 1.852 20 5 EDBDHN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCCN1CC[C@H](O)C1 ZINC000894832674 591434862 /nfs/dbraw/zinc/43/48/62/591434862.db2.gz JNSWWYGTVSPHKS-JTQLQIEISA-N 0 3 336.779 1.697 20 5 EDBDHN C[C@@H]1CN(c2ccncc2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000895278192 591698995 /nfs/dbraw/zinc/69/89/95/591698995.db2.gz PYQFQBHTPACETM-GFCCVEGCSA-N 0 3 329.360 1.679 20 5 EDBDHN COC[C@H]1CNCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000900450364 592021093 /nfs/dbraw/zinc/02/10/93/592021093.db2.gz MWAYPMCGRFVPFX-SECBINFHSA-N 0 3 331.170 1.177 20 5 EDBDHN CC(C)N1CCN(CCC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000900859118 592149355 /nfs/dbraw/zinc/14/93/55/592149355.db2.gz WSTQCEVSONBRFN-UHFFFAOYSA-N 0 3 348.447 1.670 20 5 EDBDHN CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC12CCCCC2 ZINC000908573450 592544773 /nfs/dbraw/zinc/54/47/73/592544773.db2.gz KWBZDHYVAAWIAS-UHFFFAOYSA-N 0 3 348.403 1.233 20 5 EDBDHN CC(C)S(=O)(=O)CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000808726096 593282968 /nfs/dbraw/zinc/28/29/68/593282968.db2.gz PIVQKVOCWARPIH-OLZOCXBDSA-N 0 3 344.437 1.688 20 5 EDBDHN COc1ccc(C)cc1N1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813106226 593517780 /nfs/dbraw/zinc/51/77/80/593517780.db2.gz AZFOESFZKJCWMA-RYUDHWBXSA-N 0 3 336.344 1.565 20 5 EDBDHN CC(COC(=O)[C@H]1CCCN1c1ncnc2ccccc21)[N+](=O)[O-] ZINC000813107679 593518311 /nfs/dbraw/zinc/51/83/11/593518311.db2.gz QJZAQFQZALUQCM-SMDDNHRTSA-N 0 3 330.344 1.807 20 5 EDBDHN CC(COC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)[N+](=O)[O-] ZINC000813111382 593518505 /nfs/dbraw/zinc/51/85/05/593518505.db2.gz SJQQMHTWIUDIPD-QWRGUYRKSA-N 0 3 326.374 1.951 20 5 EDBDHN CC(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813112225 593518609 /nfs/dbraw/zinc/51/86/09/593518609.db2.gz ODUFHBRMNQNDRG-CMPLNLGQSA-N 0 3 340.763 1.897 20 5 EDBDHN CC(COC(=O)c1cn2ccc(Br)cc2n1)[N+](=O)[O-] ZINC000813112413 593518860 /nfs/dbraw/zinc/51/88/60/593518860.db2.gz GQUKATPJEDEOBL-ZETCQYMHSA-N 0 3 328.122 1.919 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C(C)(C)CC[NH3+])c1 ZINC000817862373 593641972 /nfs/dbraw/zinc/64/19/72/593641972.db2.gz WFRUPSYZHBSMAM-UHFFFAOYSA-N 0 3 335.813 1.962 20 5 EDBDHN COCCC[N@H+](C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821687919 593914531 /nfs/dbraw/zinc/91/45/31/593914531.db2.gz VTKKEAUYVMSCRE-UHFFFAOYSA-N 0 3 335.368 1.155 20 5 EDBDHN COCCC[N@@H+](C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821687919 593914532 /nfs/dbraw/zinc/91/45/32/593914532.db2.gz VTKKEAUYVMSCRE-UHFFFAOYSA-N 0 3 335.368 1.155 20 5 EDBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCCN1CC[C@@H](O)C1 ZINC000827536957 594227243 /nfs/dbraw/zinc/22/72/43/594227243.db2.gz YZFPYBQRYOUIFM-LLVKDONJSA-N 0 3 341.795 1.364 20 5 EDBDHN Cc1cc(Cl)c(C(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000827887982 594297811 /nfs/dbraw/zinc/29/78/11/594297811.db2.gz QLLHXXBMOGIVDH-UHFFFAOYSA-N 0 3 329.784 1.865 20 5 EDBDHN CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)CN(C)C ZINC000831777326 594702282 /nfs/dbraw/zinc/70/22/82/594702282.db2.gz WYOFQBLQYQONTJ-NSHDSACASA-N 0 3 329.784 1.945 20 5 EDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832529570 594756663 /nfs/dbraw/zinc/75/66/63/594756663.db2.gz HTOXNCFXVHIIQZ-DAXOMENPSA-N 0 3 333.388 1.713 20 5 EDBDHN CC(COC(=O)c1ccc(I)cn1)[N+](=O)[O-] ZINC000835455296 594829787 /nfs/dbraw/zinc/82/97/87/594829787.db2.gz NXGNTAHRVCPQET-LURJTMIESA-N 0 3 336.085 1.508 20 5 EDBDHN CC(C)(C)[C@H](O)C[C@@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843103562 595287602 /nfs/dbraw/zinc/28/76/02/595287602.db2.gz BKQCQWYGCHEGCJ-AEGPPILISA-N 0 3 326.393 1.376 20 5 EDBDHN COCCN1CCC(OC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000847882133 595495927 /nfs/dbraw/zinc/49/59/27/595495927.db2.gz YXYFKJMJBLUBCO-UHFFFAOYSA-N 0 3 338.360 1.871 20 5 EDBDHN C[C@H]1C[NH2+]CC[C@@H]1[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766767 595600902 /nfs/dbraw/zinc/60/09/02/595600902.db2.gz SCWGBIXQXJQGRM-CABZTGNLSA-N 0 3 329.303 1.681 20 5 EDBDHN COCCN(C)CCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000123294031 596336893 /nfs/dbraw/zinc/33/68/93/596336893.db2.gz DKWAFKLCQPLRQZ-UHFFFAOYSA-N 0 3 327.356 1.740 20 5 EDBDHN Cc1nn(CCC(=O)N2CCN(C)C(C)(C)CC2)c(C)c1[N+](=O)[O-] ZINC000871153025 596480881 /nfs/dbraw/zinc/48/08/81/596480881.db2.gz CSYDPPHGQRXMJG-UHFFFAOYSA-N 0 3 337.424 1.741 20 5 EDBDHN CN1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC[C@H]21 ZINC000867812077 596563533 /nfs/dbraw/zinc/56/35/33/596563533.db2.gz HWSINJPEBUBXDU-VHSXEESVSA-N 0 3 331.419 1.371 20 5 EDBDHN CC(C)[C@H]1CN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CCN1C ZINC000872737731 597053618 /nfs/dbraw/zinc/05/36/18/597053618.db2.gz RRRZJACTXBSNNQ-CYBMUJFWSA-N 0 3 334.376 1.732 20 5 EDBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1Cc2ccccc2CN1 ZINC000877345906 597497280 /nfs/dbraw/zinc/49/72/80/597497280.db2.gz CREDTJVSXDRRSH-OAHLLOKOSA-N 0 3 341.367 1.804 20 5 EDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1Cc2ccccc2CN1 ZINC000877345707 597497336 /nfs/dbraw/zinc/49/73/36/597497336.db2.gz AHXABWXKOXNXJN-INIZCTEOSA-N 0 3 325.368 1.968 20 5 EDBDHN COc1ccc([C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2)cc1 ZINC000879521730 597615980 /nfs/dbraw/zinc/61/59/80/597615980.db2.gz QSXUOFPRRSXOKU-INIZCTEOSA-N 0 3 331.376 1.446 20 5 EDBDHN CCN1CCN(C[C@@H](C)CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881821716 597740273 /nfs/dbraw/zinc/74/02/73/597740273.db2.gz LAVAAQSHLJYRGS-LBPRGKRZSA-N 0 3 325.388 1.814 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879245260 597863746 /nfs/dbraw/zinc/86/37/46/597863746.db2.gz XCAWDLOLTLDQKC-AEFFLSMTSA-N 0 3 343.383 1.955 20 5 EDBDHN C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000882145410 597880936 /nfs/dbraw/zinc/88/09/36/597880936.db2.gz OFOMMMJNMBAWSW-CHWSQXEVSA-N 0 3 337.399 1.591 20 5 EDBDHN CCN1CC[C@@H]1CNc1ncnc(NC[C@@H]2CCN2CC)c1[N+](=O)[O-] ZINC000882959079 598116781 /nfs/dbraw/zinc/11/67/81/598116781.db2.gz UIVTXCYDYZJLKK-BETUJISGSA-N 0 3 349.439 1.397 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000917654065 697059338 /nfs/dbraw/zinc/05/93/38/697059338.db2.gz UQBNVJJBNFKUBM-QWRGUYRKSA-N 0 3 343.380 1.639 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000917654065 697059341 /nfs/dbraw/zinc/05/93/41/697059341.db2.gz UQBNVJJBNFKUBM-QWRGUYRKSA-N 0 3 343.380 1.639 20 5 EDBDHN O=C(NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ncn[nH]1 ZINC001003811421 710576835 /nfs/dbraw/zinc/57/68/35/710576835.db2.gz WNJUXMDQLWCNSP-UHFFFAOYSA-N 0 3 330.348 1.107 20 5 EDBDHN O=C(NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1nc[nH]n1 ZINC001003811421 710576836 /nfs/dbraw/zinc/57/68/36/710576836.db2.gz WNJUXMDQLWCNSP-UHFFFAOYSA-N 0 3 330.348 1.107 20 5 EDBDHN O=C(NCC1CCN(CCO)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412204467 303983374 /nfs/dbraw/zinc/98/33/74/303983374.db2.gz XBRFMZMQHASEAA-DLBZAZTESA-N 0 3 347.415 1.519 20 5 EDBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000560741909 306278359 /nfs/dbraw/zinc/27/83/59/306278359.db2.gz SXUZBVIUYUIJEO-LBPRGKRZSA-N 0 3 335.408 1.978 20 5 EDBDHN CN1CC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000369572697 283042028 /nfs/dbraw/zinc/04/20/28/283042028.db2.gz BFUPYGFIMDZPPN-NHYWBVRUSA-N 0 3 349.416 1.662 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(CO)CC1 ZINC000076991776 138250954 /nfs/dbraw/zinc/25/09/54/138250954.db2.gz GMXKONLDVGQYRD-UHFFFAOYSA-N 0 3 337.376 1.636 20 5 EDBDHN Cc1nn(C)c(C(=O)NC[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000098094537 138297641 /nfs/dbraw/zinc/29/76/41/138297641.db2.gz BFNBVWUXMHVPBH-CYBMUJFWSA-N 0 3 331.376 1.669 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)C[C@@H]([NH3+])CC3)n1 ZINC000563620919 306342602 /nfs/dbraw/zinc/34/26/02/306342602.db2.gz RKMCFAATUKXDMR-ZETCQYMHSA-N 0 3 336.377 1.336 20 5 EDBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176217466 138705891 /nfs/dbraw/zinc/70/58/91/138705891.db2.gz GQENTZHEMPHFDF-UONOGXRCSA-N 0 3 337.424 1.808 20 5 EDBDHN O=C(CCNC[C@@H]1CCCS1(=O)=O)Nc1ccccc1[N+](=O)[O-] ZINC000564650809 306361974 /nfs/dbraw/zinc/36/19/74/306361974.db2.gz DMHWFNCJKXDHDK-NSHDSACASA-N 0 3 341.389 1.090 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(CO)CCCC2)cc1 ZINC000565304123 306381298 /nfs/dbraw/zinc/38/12/98/306381298.db2.gz OFUCVBKVEKZDBW-UHFFFAOYSA-N 0 3 342.417 1.511 20 5 EDBDHN CCOc1ccc([C@@H](C)NC[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414201252 304105709 /nfs/dbraw/zinc/10/57/09/304105709.db2.gz XWMLGHIAFFKXDZ-YPMHNXCESA-N 0 3 335.364 1.297 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1F ZINC000154313846 201396297 /nfs/dbraw/zinc/39/62/97/201396297.db2.gz MEXAYPKUAQWXIV-LLVKDONJSA-N 0 3 345.396 1.757 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(CCO)[C@H]2CCc3ccccc32)c1 ZINC000072632219 203239023 /nfs/dbraw/zinc/23/90/23/203239023.db2.gz LYZVLNFKJKUIRE-RDJZCZTQSA-N 0 3 346.387 1.134 20 5 EDBDHN CC[C@H](CO)N1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075962632 203329223 /nfs/dbraw/zinc/32/92/23/203329223.db2.gz FQZMLASPPHFZRQ-OAHLLOKOSA-N 0 3 337.420 1.752 20 5 EDBDHN CCS(=O)(=O)NCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130887930 205263527 /nfs/dbraw/zinc/26/35/27/205263527.db2.gz XGEXMURWDITDBD-UHFFFAOYSA-N 0 3 341.433 1.889 20 5 EDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000246160504 139097141 /nfs/dbraw/zinc/09/71/41/139097141.db2.gz LUTMTXDTQVXASQ-IUODEOHRSA-N 0 3 341.433 1.697 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000248918117 139180662 /nfs/dbraw/zinc/18/06/62/139180662.db2.gz WICXLMNIWPCCDY-UKRRQHHQSA-N 0 3 343.387 1.428 20 5 EDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1NCCc2ccccc21 ZINC000261680071 139217034 /nfs/dbraw/zinc/21/70/34/139217034.db2.gz MOGCJTWDXZGXQY-AWEZNQCLSA-N 0 3 327.344 1.388 20 5 EDBDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415490380 304224677 /nfs/dbraw/zinc/22/46/77/304224677.db2.gz CJSKYUCEMBBBTD-JTQLQIEISA-N 0 3 326.328 1.306 20 5 EDBDHN Cc1ccccc1OCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174695320 207046749 /nfs/dbraw/zinc/04/67/49/207046749.db2.gz LEBFSWAXEDDEKQ-OAHLLOKOSA-N 0 3 334.376 1.471 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000175111549 207094423 /nfs/dbraw/zinc/09/44/23/207094423.db2.gz PWYQTRCYOPAZCV-ZDUSSCGKSA-N 0 3 341.433 1.926 20 5 EDBDHN COc1ccccc1[C@H]1CNCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000262294831 139267513 /nfs/dbraw/zinc/26/75/13/139267513.db2.gz WMGZMIXYKIZBAP-CYBMUJFWSA-N 0 3 331.376 1.483 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CN1C1CC1 ZINC000177193698 207305443 /nfs/dbraw/zinc/30/54/43/207305443.db2.gz ZIWNDXCQIWACET-DGCLKSJQSA-N 0 3 347.371 1.528 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C)(O)CC1 ZINC000177314453 207319852 /nfs/dbraw/zinc/31/98/52/207319852.db2.gz UHPMIWFSRIVKOT-UHFFFAOYSA-N 0 3 337.376 1.779 20 5 EDBDHN COC(=O)c1cnc(NCc2ccc3c(c2)CNC3)c([N+](=O)[O-])c1 ZINC000420243263 251654781 /nfs/dbraw/zinc/65/47/81/251654781.db2.gz WKOWXUWESPICBP-UHFFFAOYSA-N 0 3 328.328 1.992 20 5 EDBDHN O=[N+]([O-])c1cc2c(ncnc2N[C@H](CO)CN2CCCCC2)s1 ZINC000450518244 285100910 /nfs/dbraw/zinc/10/09/10/285100910.db2.gz INWDSMURKKQHKI-JTQLQIEISA-N 0 3 337.405 1.858 20 5 EDBDHN CCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000112363958 220314259 /nfs/dbraw/zinc/31/42/59/220314259.db2.gz RNFDWYOQDMTLOD-UHFFFAOYSA-N 0 3 329.422 1.913 20 5 EDBDHN C[C@H]1CCCN1C(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489045767 255062714 /nfs/dbraw/zinc/06/27/14/255062714.db2.gz QMHUUFMUMVBEFU-ZDUSSCGKSA-N 0 3 335.408 1.829 20 5 EDBDHN CCOC(=O)N1CCC([C@H](C)NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000495492881 255289591 /nfs/dbraw/zinc/28/95/91/255289591.db2.gz RVFQMGTXZDWQGW-NSHDSACASA-N 0 3 339.396 1.675 20 5 EDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000264151664 139383268 /nfs/dbraw/zinc/38/32/68/139383268.db2.gz QKKQYVVVJMCHKK-NSHDSACASA-N 0 3 329.422 1.912 20 5 EDBDHN Cc1[n-]nc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000264288009 139393889 /nfs/dbraw/zinc/39/38/89/139393889.db2.gz WGZYINUAGZRKIQ-UHFFFAOYSA-N 0 3 333.348 1.819 20 5 EDBDHN COC(=O)NCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 ZINC000265251017 139463558 /nfs/dbraw/zinc/46/35/58/139463558.db2.gz AZNFLTCBIJUSQE-UHFFFAOYSA-N 0 3 347.331 1.594 20 5 EDBDHN COC(=O)c1cnc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488723503 292030255 /nfs/dbraw/zinc/03/02/55/292030255.db2.gz WPUYRSDVTSUYBD-MBNYWOFBSA-N 0 3 348.403 1.943 20 5 EDBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270489169 140109991 /nfs/dbraw/zinc/10/99/91/140109991.db2.gz UFRVSNPBKHQMKC-SUMWQHHRSA-N 0 3 349.387 1.905 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000332259273 141148371 /nfs/dbraw/zinc/14/83/71/141148371.db2.gz DHGJOBFJXRDXOR-BONVTDFDSA-N 0 3 339.342 1.968 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000332680273 141228073 /nfs/dbraw/zinc/22/80/73/141228073.db2.gz SDKNNAJETXHXAI-STQMWFEESA-N 0 3 343.387 1.993 20 5 EDBDHN C[C@H](N[C@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338597359 141842657 /nfs/dbraw/zinc/84/26/57/141842657.db2.gz LKOGWXRRFNPDTD-GWCFXTLKSA-N 0 3 334.376 1.569 20 5 EDBDHN CC1CCN(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000340114828 142269989 /nfs/dbraw/zinc/26/99/89/142269989.db2.gz QYOLILRZKGOWSS-UHFFFAOYSA-N 0 3 331.376 1.933 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)n1 ZINC000346260972 143184560 /nfs/dbraw/zinc/18/45/60/143184560.db2.gz LOKFILMZMABHIF-YNEHKIRRSA-N 0 3 335.408 1.614 20 5 EDBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000346648702 143226201 /nfs/dbraw/zinc/22/62/01/143226201.db2.gz PMMABSCEJQEWQF-JHJVBQTASA-N 0 3 338.360 1.218 20 5 EDBDHN COc1cc(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000361905195 286197818 /nfs/dbraw/zinc/19/78/18/286197818.db2.gz CVHDAWBSDXNMQZ-RISCZKNCSA-N 0 3 349.387 1.778 20 5 EDBDHN O=C(CCN1[C@@H]2CC[C@H]1CNC(=O)C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000361331390 152364116 /nfs/dbraw/zinc/36/41/16/152364116.db2.gz NBKOUWCKFSHPMY-KGLIPLIRSA-N 0 3 332.360 1.276 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[NH2+]CC2)cc1C ZINC000364807269 153339170 /nfs/dbraw/zinc/33/91/70/153339170.db2.gz DWJHLNUVFIDDPT-GFCCVEGCSA-N 0 3 327.406 1.632 20 5 EDBDHN CN1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC000372327301 156334432 /nfs/dbraw/zinc/33/44/32/156334432.db2.gz VTCPHIGCRPFTCG-KBPBESRZSA-N 0 3 329.360 1.005 20 5 EDBDHN Cn1cc([C@@H](O)C[C@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000378361206 158152459 /nfs/dbraw/zinc/15/24/59/158152459.db2.gz DTWQPBZZNLKICC-HIFRSBDPSA-N 0 3 334.380 1.113 20 5 EDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1C1CCN(C)CC1 ZINC000408075933 158258017 /nfs/dbraw/zinc/25/80/17/158258017.db2.gz ZOUSZEFSZGVNNT-LBPRGKRZSA-N 0 3 335.408 1.163 20 5 EDBDHN CN(C)CCNC(=O)c1cccc(CNc2ncc([N+](=O)[O-])cn2)c1 ZINC000273611829 268065053 /nfs/dbraw/zinc/06/50/53/268065053.db2.gz MFOBZZHFDQVDBV-UHFFFAOYSA-N 0 3 344.375 1.288 20 5 EDBDHN COc1cc(C[NH2+]CCCCCS(C)(=O)=O)c([N+](=O)[O-])cc1[O-] ZINC000274736053 268194272 /nfs/dbraw/zinc/19/42/72/268194272.db2.gz IRCLCPWYRTYIQN-UHFFFAOYSA-N 0 3 346.405 1.614 20 5 EDBDHN CC(=O)N1CCN(CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278178648 273252408 /nfs/dbraw/zinc/25/24/08/273252408.db2.gz DGKWMGZEMQZHKP-GOSISDBHSA-N 0 3 346.431 1.726 20 5 EDBDHN CC1(C)C[C@H](NCCN2C(=O)CNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000278960571 273276714 /nfs/dbraw/zinc/27/67/14/273276714.db2.gz BGMKMKCZBJMTBG-ZDUSSCGKSA-N 0 3 332.360 1.459 20 5 EDBDHN O=c1[nH]c(N2CCN(CC3CC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000280918208 273414914 /nfs/dbraw/zinc/41/49/14/273414914.db2.gz FRCBMYKZDWQEHI-UHFFFAOYSA-N 0 3 329.360 1.776 20 5 EDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000157262787 277156766 /nfs/dbraw/zinc/15/67/66/277156766.db2.gz WGQNLPPAECIXTI-UKRRQHHQSA-N 0 3 332.404 1.949 20 5 EDBDHN COC(=O)[C@@]12CCC[C@H]1CN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000371710133 277378820 /nfs/dbraw/zinc/37/88/20/277378820.db2.gz XNUUDPGKFCHIIT-BLLLJJGKSA-N 0 3 335.360 1.032 20 5 EDBDHN Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cc([N+](=O)[O-])n[n-]3)C1)CCCC2 ZINC000286857002 288105613 /nfs/dbraw/zinc/10/56/13/288105613.db2.gz UPXKRSJAAXNJQB-NSHDSACASA-N 0 3 344.375 1.789 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287387500 288226417 /nfs/dbraw/zinc/22/64/17/288226417.db2.gz INRUBMODZXAGCX-TZMCWYRMSA-N 0 3 343.387 1.958 20 5 EDBDHN CN1CC[C@@]2(CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000291867235 289201479 /nfs/dbraw/zinc/20/14/79/289201479.db2.gz JMYPWILYNYGZPK-OAHLLOKOSA-N 0 3 339.417 1.452 20 5 EDBDHN CN(C)[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1O ZINC000292363515 289326287 /nfs/dbraw/zinc/32/62/87/289326287.db2.gz OYGYIFWGMKTARX-RYUDHWBXSA-N 0 3 330.182 1.468 20 5 EDBDHN CC1(C)OCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000295150314 303180429 /nfs/dbraw/zinc/18/04/29/303180429.db2.gz DDHXOOSLYZDJHU-CYBMUJFWSA-N 0 3 337.332 1.419 20 5 EDBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301563998 303684719 /nfs/dbraw/zinc/68/47/19/303684719.db2.gz YRROQXCDOSNQBN-CYBMUJFWSA-N 0 3 349.435 1.392 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCN(C)CC1 ZINC000301738097 303692371 /nfs/dbraw/zinc/69/23/71/303692371.db2.gz SFHCMEZLCKSXOI-UHFFFAOYSA-N 0 3 338.320 1.796 20 5 EDBDHN COC(=O)c1cnc(N2CCC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000302749995 303732769 /nfs/dbraw/zinc/73/27/69/303732769.db2.gz GVOMHYLQPSYJIB-CYBMUJFWSA-N 0 3 334.376 1.841 20 5 EDBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1CCO ZINC000493569199 447343863 /nfs/dbraw/zinc/34/38/63/447343863.db2.gz RYPLFNNWUPMPQT-WHLNPGIBSA-N 0 3 333.388 1.571 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1CN(C)CCCN1CCN(C)CC1 ZINC000430215578 305047706 /nfs/dbraw/zinc/04/77/06/305047706.db2.gz FEKQASWAOUKQMA-UHFFFAOYSA-N 0 3 336.436 1.673 20 5 EDBDHN CN(C)CCn1nccc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000436483682 305158499 /nfs/dbraw/zinc/15/84/99/305158499.db2.gz AOKWAJPKIOUDET-UHFFFAOYSA-N 0 3 346.391 1.717 20 5 EDBDHN O=C1CCCN1C[C@@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548722 305352894 /nfs/dbraw/zinc/35/28/94/305352894.db2.gz NXTBAOYMSXLWQH-RDJZCZTQSA-N 0 3 347.415 1.758 20 5 EDBDHN Cc1c(CC(=O)NC[C@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000452367239 305393437 /nfs/dbraw/zinc/39/34/37/305393437.db2.gz PNHYXIFZSQCAKS-OAHLLOKOSA-N 0 3 335.404 1.409 20 5 EDBDHN CNc1nc(C(=O)N2CC[C@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000455554770 305443711 /nfs/dbraw/zinc/44/37/11/305443711.db2.gz NWGYULJGHWORNB-LBPRGKRZSA-N 0 3 333.392 1.732 20 5 EDBDHN CN(C)[C@@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000530650209 305944842 /nfs/dbraw/zinc/94/48/42/305944842.db2.gz GCCXSBLADPSPLU-OAHLLOKOSA-N 0 3 338.433 1.831 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CCCN(C)C2)c1F ZINC000556824635 306218944 /nfs/dbraw/zinc/21/89/44/306218944.db2.gz JSJKJKVCFDYJDJ-LLVKDONJSA-N 0 3 339.367 1.743 20 5 EDBDHN CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H]1CCCN(C)C1 ZINC000449945778 447417911 /nfs/dbraw/zinc/41/79/11/447417911.db2.gz RRSDHBWPJXSMRX-CQSZACIVSA-N 0 3 343.387 1.947 20 5 EDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N(C)C1CC1 ZINC000057702102 441128185 /nfs/dbraw/zinc/12/81/85/441128185.db2.gz FLJLOADWPMYRKB-SNVBAGLBSA-N 0 3 335.360 1.579 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000057720792 441131419 /nfs/dbraw/zinc/13/14/19/441131419.db2.gz GDUNUXWMOUDKKB-RYUDHWBXSA-N 0 3 348.403 1.312 20 5 EDBDHN CN1CCN(CCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000061523677 441275174 /nfs/dbraw/zinc/27/51/74/441275174.db2.gz UEILWIVITGPIQB-BQYQJAHWSA-N 0 3 332.404 1.362 20 5 EDBDHN CN1CCC[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000108406636 441452357 /nfs/dbraw/zinc/45/23/57/441452357.db2.gz HUXAJARFKFAKOS-CYBMUJFWSA-N 0 3 327.406 1.356 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc3c(c2)OCO3)c1 ZINC000038287723 441614699 /nfs/dbraw/zinc/61/46/99/441614699.db2.gz INFFCHJODFKSFI-CQSZACIVSA-N 0 3 346.339 1.853 20 5 EDBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000067208101 441617939 /nfs/dbraw/zinc/61/79/39/441617939.db2.gz SJZOIGOAAWPULH-ZDUSSCGKSA-N 0 3 329.360 1.311 20 5 EDBDHN Cc1ccc([C@@H](C)NC[C@H]2CCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000090798845 441644193 /nfs/dbraw/zinc/64/41/93/441644193.db2.gz JLJILNNPCIUFIM-TZMCWYRMSA-N 0 3 341.433 1.978 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CN1Cc1ccccc1 ZINC000137430821 441768725 /nfs/dbraw/zinc/76/87/25/441768725.db2.gz VGCRVTVKMHQDKB-UKRRQHHQSA-N 0 3 343.387 1.571 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2C)cc1OC ZINC000139181387 441807269 /nfs/dbraw/zinc/80/72/69/441807269.db2.gz KCGYNBIDHIAAJJ-NSHDSACASA-N 0 3 337.376 1.826 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000125231195 442000782 /nfs/dbraw/zinc/00/07/82/442000782.db2.gz JIOSAQOKNAJPQE-ZJUUUORDSA-N 0 3 329.378 1.152 20 5 EDBDHN C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC000151298045 442038519 /nfs/dbraw/zinc/03/85/19/442038519.db2.gz OTISNDCJDCZBDI-ZDUSSCGKSA-N 0 3 338.412 1.211 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000162181418 442071542 /nfs/dbraw/zinc/07/15/42/442071542.db2.gz FMGOULJJWYMXSR-ZDUSSCGKSA-N 0 3 339.392 1.929 20 5 EDBDHN COC[C@](C)(CCO)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000079921470 442097440 /nfs/dbraw/zinc/09/74/40/442097440.db2.gz UGDFYHPSMIRDET-INIZCTEOSA-N 0 3 339.392 1.609 20 5 EDBDHN C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000154304407 442331401 /nfs/dbraw/zinc/33/14/01/442331401.db2.gz PUJTVTKZUYPDMX-HNNXBMFYSA-N 0 3 348.447 1.527 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000177163819 442308149 /nfs/dbraw/zinc/30/81/49/442308149.db2.gz BHVBONPNKVUQSV-UWVGGRQHSA-N 0 3 329.360 1.826 20 5 EDBDHN CCN1CCC[C@H]1CN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155356384 442390993 /nfs/dbraw/zinc/39/09/93/442390993.db2.gz YXTUAVQVMXAICC-HNNXBMFYSA-N 0 3 341.433 1.841 20 5 EDBDHN CC[C@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])N(C)C ZINC000178348725 442426145 /nfs/dbraw/zinc/42/61/45/442426145.db2.gz LGJVDDATHNGBMR-GFCCVEGCSA-N 0 3 339.392 1.611 20 5 EDBDHN COCCN(C)CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134597828 442499191 /nfs/dbraw/zinc/49/91/91/442499191.db2.gz DYHIYFSNNVQSNP-UHFFFAOYSA-N 0 3 329.784 1.946 20 5 EDBDHN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000135515416 442605478 /nfs/dbraw/zinc/60/54/78/442605478.db2.gz GBDAOHSHPKFKFW-NSHDSACASA-N 0 3 329.360 1.495 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000192365476 442640337 /nfs/dbraw/zinc/64/03/37/442640337.db2.gz IEBLNVFWMJWPDY-DOMZBBRYSA-N 0 3 332.360 1.525 20 5 EDBDHN CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H]1CCCN(C)C1 ZINC000181168402 442682539 /nfs/dbraw/zinc/68/25/39/442682539.db2.gz VXSKEIPLBPRABF-LRDDRELGSA-N 0 3 346.387 1.640 20 5 EDBDHN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H](N2CCCC2)C1 ZINC000181187386 442683866 /nfs/dbraw/zinc/68/38/66/442683866.db2.gz GSBNFOQKXHUTMY-LBPRGKRZSA-N 0 3 333.344 1.634 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2[NH3+])c1[N+](=O)[O-] ZINC000193240455 442725574 /nfs/dbraw/zinc/72/55/74/442725574.db2.gz CUIAFHFFALZOQV-VXGBXAGGSA-N 0 3 327.406 1.760 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246685277 442802248 /nfs/dbraw/zinc/80/22/48/442802248.db2.gz MQNNZJDAOGJNFD-YSVLISHTSA-N 0 3 336.388 1.835 20 5 EDBDHN CCN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182767114 442821463 /nfs/dbraw/zinc/82/14/63/442821463.db2.gz RACAWIJJSSSVAH-UHFFFAOYSA-N 0 3 328.756 1.255 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000268160524 442876986 /nfs/dbraw/zinc/87/69/86/442876986.db2.gz XAQXBTDLQKBDNE-WFASDCNBSA-N 0 3 347.419 1.789 20 5 EDBDHN CN(C)CCOc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000183129231 442885614 /nfs/dbraw/zinc/88/56/14/442885614.db2.gz DPQSFOZKLQSKTL-UHFFFAOYSA-N 0 3 344.371 1.860 20 5 EDBDHN COc1cc(C(=O)N(C)C[C@@H]2CCN(C)C2)cc([N+](=O)[O-])c1OC ZINC000265963428 442986515 /nfs/dbraw/zinc/98/65/15/442986515.db2.gz RHHKVFJTVHGNJM-LLVKDONJSA-N 0 3 337.376 1.636 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000266053530 443000427 /nfs/dbraw/zinc/00/04/27/443000427.db2.gz ZISWWLIJWYGBIA-AWEZNQCLSA-N 0 3 335.404 1.758 20 5 EDBDHN CN(C(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000184817836 443080747 /nfs/dbraw/zinc/08/07/47/443080747.db2.gz KMOJMVMBJOFMOS-UONOGXRCSA-N 0 3 334.376 1.191 20 5 EDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1NCCc2ccccc21 ZINC000262029814 443180107 /nfs/dbraw/zinc/18/01/07/443180107.db2.gz BJEAPHKRXRJFAC-OAHLLOKOSA-N 0 3 329.360 1.185 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCC[NH2+]C2)cc1C ZINC000262016027 443180628 /nfs/dbraw/zinc/18/06/28/443180628.db2.gz XBRAJOODJOBRHT-LBPRGKRZSA-N 0 3 327.406 1.632 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@]1(C)CCC[NH2+]C1 ZINC000262325004 443190580 /nfs/dbraw/zinc/19/05/80/443190580.db2.gz ROSUPWOXCWJBHW-AWEZNQCLSA-N 0 3 327.406 1.571 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(CC)C2)cc1OC ZINC000414008709 319310337 /nfs/dbraw/zinc/31/03/37/319310337.db2.gz VJSIOHGAPDTXAD-LLVKDONJSA-N 0 3 337.376 1.826 20 5 EDBDHN Cc1cc(NCCCN2CCC[C@H]2C(=O)N(C)C)ncc1[N+](=O)[O-] ZINC000266857483 443269618 /nfs/dbraw/zinc/26/96/18/443269618.db2.gz UWVNNYMBHKBPCN-ZDUSSCGKSA-N 0 3 335.408 1.653 20 5 EDBDHN COCCN(C)CCCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272494037 443339714 /nfs/dbraw/zinc/33/97/14/443339714.db2.gz IBFKJCIRVOCVHL-UHFFFAOYSA-N 0 3 345.346 1.771 20 5 EDBDHN CN1CCC(O)(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000267096972 443340883 /nfs/dbraw/zinc/34/08/83/443340883.db2.gz LFGANVFNIMYFDP-UHFFFAOYSA-N 0 3 346.387 1.122 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N(C)C)n1 ZINC000191458480 443296517 /nfs/dbraw/zinc/29/65/17/443296517.db2.gz MHXUVBVMMPLUSU-CYBMUJFWSA-N 0 3 331.376 1.844 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272909424 443486498 /nfs/dbraw/zinc/48/64/98/443486498.db2.gz LGUXMHCHAKGDEL-UHFFFAOYSA-N 0 3 346.387 1.011 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)Cn1cccn1 ZINC000264851110 443452916 /nfs/dbraw/zinc/45/29/16/443452916.db2.gz IZOJCCMCPPHGIE-NWDGAFQWSA-N 0 3 347.375 1.805 20 5 EDBDHN CC(C)(C)[C@H](CO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000278856306 443463079 /nfs/dbraw/zinc/46/30/79/443463079.db2.gz RSKXSVXPKLRJCZ-ZDUSSCGKSA-N 0 3 339.348 1.259 20 5 EDBDHN C[C@H](Cn1cccn1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272941648 443496086 /nfs/dbraw/zinc/49/60/86/443496086.db2.gz NOPZBYGLKDYKLZ-GFCCVEGCSA-N 0 3 338.389 1.243 20 5 EDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000440079560 320061658 /nfs/dbraw/zinc/06/16/58/320061658.db2.gz OLJSZWFDYFQHDY-ZDUSSCGKSA-N 0 3 343.449 1.787 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000440854322 320083781 /nfs/dbraw/zinc/08/37/81/320083781.db2.gz BTQNKGFRTHZWHW-OAHLLOKOSA-N 0 3 341.433 1.880 20 5 EDBDHN CC(C)N1CC[C@@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000452112725 320242214 /nfs/dbraw/zinc/24/22/14/320242214.db2.gz GWAPADBTUNXAIT-MRXNPFEDSA-N 0 3 346.431 1.898 20 5 EDBDHN CNc1nc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000456054473 320305823 /nfs/dbraw/zinc/30/58/23/320305823.db2.gz CVEJRESRYLHANG-LBPRGKRZSA-N 0 3 347.419 1.978 20 5 EDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCN1CCCO ZINC000493659171 320396613 /nfs/dbraw/zinc/39/66/13/320396613.db2.gz LFGQTAHHSIFOAM-YXMGTMDOSA-N 0 3 333.388 1.571 20 5 EDBDHN COc1ccc(NC(=O)CCN(C)C(C)(C)C(N)=O)c([N+](=O)[O-])c1 ZINC000298475902 443777325 /nfs/dbraw/zinc/77/73/25/443777325.db2.gz SQCQJUVKNZRSOQ-UHFFFAOYSA-N 0 3 338.364 1.128 20 5 EDBDHN CN1CC[C@@H]2OCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000285260613 443915827 /nfs/dbraw/zinc/91/58/27/443915827.db2.gz MLDHUFKPSRLLEM-KBKYZLAFSA-N 0 3 331.372 1.540 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000299262807 443999846 /nfs/dbraw/zinc/99/98/46/443999846.db2.gz LNRRUGNVTLNVRO-IUODEOHRSA-N 0 3 348.403 1.559 20 5 EDBDHN CC[C@H](C)[C@@H](O)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570515413 321344125 /nfs/dbraw/zinc/34/41/25/321344125.db2.gz HGLWWXVANJRHAW-FZMZJTMJSA-N 0 3 330.406 1.365 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2F)CCNC3)n1 ZINC000570954739 321366739 /nfs/dbraw/zinc/36/67/39/321366739.db2.gz OIDOSVRPDUMZEB-UHFFFAOYSA-N 0 3 333.323 1.848 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc3c(c2F)CC[NH2+]C3)n1 ZINC000570954739 321366740 /nfs/dbraw/zinc/36/67/40/321366740.db2.gz OIDOSVRPDUMZEB-UHFFFAOYSA-N 0 3 333.323 1.848 20 5 EDBDHN COc1ccc(S(=O)(=O)N[C@H](C)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC000289452326 444148088 /nfs/dbraw/zinc/14/80/88/444148088.db2.gz FTRZIALTXUISRL-LLVKDONJSA-N 0 3 345.421 1.610 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000314397938 444299791 /nfs/dbraw/zinc/29/97/91/444299791.db2.gz WUCZQLSUDVTCMU-LLVKDONJSA-N 0 3 325.390 1.548 20 5 EDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000325785586 444369691 /nfs/dbraw/zinc/36/96/91/444369691.db2.gz HTKAHXVOYTZLHP-CPUCHLNUSA-N 0 3 333.388 1.744 20 5 EDBDHN NCc1cn([C@@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000578768857 321829208 /nfs/dbraw/zinc/82/92/08/321829208.db2.gz YADVKPUKQPGXBB-OAHLLOKOSA-N 0 3 344.375 1.051 20 5 EDBDHN CC(=O)NC1CCC(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000344123206 444793006 /nfs/dbraw/zinc/79/30/06/444793006.db2.gz VHEDVPGKXYRHLK-UHFFFAOYSA-N 0 3 348.403 1.573 20 5 EDBDHN COCCN1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342886313 444919136 /nfs/dbraw/zinc/91/91/36/444919136.db2.gz GXRBGKPXMWPIKF-UHFFFAOYSA-N 0 3 346.387 1.917 20 5 EDBDHN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCN1CCCCC1 ZINC000339218245 445095156 /nfs/dbraw/zinc/09/51/56/445095156.db2.gz VCOKJIJOLOSYDB-ZDUSSCGKSA-N 0 3 348.403 1.315 20 5 EDBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@@H]1N1CCN(C)CC1 ZINC000343165516 445109473 /nfs/dbraw/zinc/10/94/73/445109473.db2.gz RAZFXAULRBDIRZ-DOMZBBRYSA-N 0 3 335.408 1.021 20 5 EDBDHN NC(=O)C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343518907 445237603 /nfs/dbraw/zinc/23/76/03/445237603.db2.gz CBFJSHLRCQLPLS-QWHCGFSZSA-N 0 3 337.376 1.064 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)N(C)C1 ZINC000343579581 445249984 /nfs/dbraw/zinc/24/99/84/445249984.db2.gz KDNFLUGJDQBGRD-NEPJUHHUSA-N 0 3 340.355 1.917 20 5 EDBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1ccc(F)cc1 ZINC000359789089 445429073 /nfs/dbraw/zinc/42/90/73/445429073.db2.gz IFYRNAXVPKNSMQ-LBPRGKRZSA-N 0 3 335.339 1.500 20 5 EDBDHN O=C1[C@@H](N[C@H]2CCc3nccn3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000363069739 445666127 /nfs/dbraw/zinc/66/61/27/445666127.db2.gz YOFJFJNXNJWNCV-WFASDCNBSA-N 0 3 341.371 1.501 20 5 EDBDHN Cc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000363183145 445711873 /nfs/dbraw/zinc/71/18/73/445711873.db2.gz OKAIPCXNSJHKDS-UONOGXRCSA-N 0 3 334.376 1.888 20 5 EDBDHN COc1c(C(=O)NC2(CCO)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000356635643 445901004 /nfs/dbraw/zinc/90/10/04/445901004.db2.gz SOXJKLGHRCCPLC-UHFFFAOYSA-N 0 3 337.376 1.180 20 5 EDBDHN CC(C)c1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000582566843 325875914 /nfs/dbraw/zinc/87/59/14/325875914.db2.gz GQAMMFBIDJXNEP-GOSISDBHSA-N 0 3 347.415 1.905 20 5 EDBDHN COc1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1O ZINC000583317294 326048548 /nfs/dbraw/zinc/04/85/48/326048548.db2.gz CFZROPFVGFGRDZ-ZDUSSCGKSA-N 0 3 348.355 1.839 20 5 EDBDHN CO[C@H]1CCC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583867134 326154878 /nfs/dbraw/zinc/15/48/78/326154878.db2.gz SXLOMENTFOCCPY-DOMZBBRYSA-N 0 3 342.417 1.773 20 5 EDBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000362031159 446167006 /nfs/dbraw/zinc/16/70/06/446167006.db2.gz ZTQFJXGZGOBHHU-TUKIKUTGSA-N 0 3 337.376 1.705 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000370706401 446395650 /nfs/dbraw/zinc/39/56/50/446395650.db2.gz BESFOPQQZXPPQU-CVEARBPZSA-N 0 3 331.376 1.774 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N(C)CCN2CCCC2)ccc1[N+](=O)[O-] ZINC000411394534 446516532 /nfs/dbraw/zinc/51/65/32/446516532.db2.gz BYCBIOGQOVZAMT-UHFFFAOYSA-N 0 3 334.376 1.396 20 5 EDBDHN Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375092145 446574258 /nfs/dbraw/zinc/57/42/58/446574258.db2.gz XIFOABIEKCAYMP-ZDUSSCGKSA-N 0 3 348.403 1.952 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CC[NH2+]CC2(C)C)c1[N+](=O)[O-] ZINC000420461627 446641007 /nfs/dbraw/zinc/64/10/07/446641007.db2.gz MGJDNWGWVABZCF-LBPRGKRZSA-N 0 3 341.433 1.878 20 5 EDBDHN O=C(N[C@@H]1CNCCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418750283 446669452 /nfs/dbraw/zinc/66/94/52/446669452.db2.gz DGLHMLCWQVTLOI-CYBMUJFWSA-N 0 3 340.330 1.660 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375301464 446703651 /nfs/dbraw/zinc/70/36/51/446703651.db2.gz GOAOAEXURLFEGD-YOEHRIQHSA-N 0 3 346.387 1.489 20 5 EDBDHN O=C1[C@H](N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000412031495 446792725 /nfs/dbraw/zinc/79/27/25/446792725.db2.gz ATOSAHQUFSEMCL-NSNWQYSKSA-N 0 3 345.399 1.793 20 5 EDBDHN CN(CC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000425059097 447007105 /nfs/dbraw/zinc/00/71/05/447007105.db2.gz QKROWIDGMSIALN-XJKSGUPXSA-N 0 3 332.404 1.584 20 5 EDBDHN COc1cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc([N+](=O)[O-])c1OC ZINC000425059597 447007262 /nfs/dbraw/zinc/00/72/62/447007262.db2.gz RZEJWQBXYWTDJK-SMDDNHRTSA-N 0 3 349.387 1.778 20 5 EDBDHN CC[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000419167540 446983771 /nfs/dbraw/zinc/98/37/71/446983771.db2.gz PPWPCVAPEASITG-KGLIPLIRSA-N 0 3 334.376 1.016 20 5 EDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369029924 447276761 /nfs/dbraw/zinc/27/67/61/447276761.db2.gz ZZYIZDASAZMUIM-HOTGVXAUSA-N 0 3 348.403 1.300 20 5 EDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000369029926 447277204 /nfs/dbraw/zinc/27/72/04/447277204.db2.gz ZZYIZDASAZMUIM-JKSUJKDBSA-N 0 3 348.403 1.300 20 5 EDBDHN COc1ccc(OCCN2CC[C@H]3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000377665838 447282120 /nfs/dbraw/zinc/28/21/20/447282120.db2.gz BOBSNPKQUUEIMS-WCQYABFASA-N 0 3 335.360 1.050 20 5 EDBDHN Cc1ccc(S(=O)(=O)NCC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000416553577 447645677 /nfs/dbraw/zinc/64/56/77/447645677.db2.gz CLTPRCGEDLNIQV-CYBMUJFWSA-N 0 3 341.433 1.913 20 5 EDBDHN CC(C)(C)[NH+]1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525186902 447973644 /nfs/dbraw/zinc/97/36/44/447973644.db2.gz PMQVKOKIBYKLCB-UHFFFAOYSA-N 0 3 342.421 1.531 20 5 EDBDHN Cc1n[nH]c(C(=O)N(C)CCCN(C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000556933800 448173608 /nfs/dbraw/zinc/17/36/08/448173608.db2.gz OEPGJNQXMSOMFG-UHFFFAOYSA-N 0 3 346.391 1.615 20 5 EDBDHN Cc1[nH]nc(C(=O)N(C)CCCN(C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000556933800 448173609 /nfs/dbraw/zinc/17/36/09/448173609.db2.gz OEPGJNQXMSOMFG-UHFFFAOYSA-N 0 3 346.391 1.615 20 5 EDBDHN CNc1nccc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000557522950 448185538 /nfs/dbraw/zinc/18/55/38/448185538.db2.gz HBYOKIHDLJIOBD-NWDGAFQWSA-N 0 3 335.408 1.882 20 5 EDBDHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000527459310 448230413 /nfs/dbraw/zinc/23/04/13/448230413.db2.gz NTPJRMFFVVPUBV-JTQLQIEISA-N 0 3 338.339 1.130 20 5 EDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCCCNCc1cccnc1 ZINC000577280442 448256697 /nfs/dbraw/zinc/25/66/97/448256697.db2.gz SDFPNJIQUHASTI-UHFFFAOYSA-N 0 3 329.360 1.482 20 5 EDBDHN C[C@H](CN1CCC(C)CC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000515671538 448342644 /nfs/dbraw/zinc/34/26/44/448342644.db2.gz MQKLEWZIJOCYKG-CYBMUJFWSA-N 0 3 341.433 1.994 20 5 EDBDHN COCC[C@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591770717 448488526 /nfs/dbraw/zinc/48/85/26/448488526.db2.gz LBVRMKKNUPQVSH-LBPRGKRZSA-N 0 3 330.406 1.631 20 5 EDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC1(OCCO)CCOCC1 ZINC000584849755 448656663 /nfs/dbraw/zinc/65/66/63/448656663.db2.gz KNGZUBJKJYLAEX-OAHLLOKOSA-N 0 3 336.388 1.730 20 5 EDBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000584791667 448634836 /nfs/dbraw/zinc/63/48/36/448634836.db2.gz DVIBRADBMLRVRO-CYBMUJFWSA-N 0 3 329.360 1.570 20 5 EDBDHN Cc1ccc(NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592211566 448750160 /nfs/dbraw/zinc/75/01/60/448750160.db2.gz SWOGJHXJWLTDTR-LBPRGKRZSA-N 0 3 349.391 1.487 20 5 EDBDHN CN(C)[C@@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000579278311 448758876 /nfs/dbraw/zinc/75/88/76/448758876.db2.gz PALYEMPHFNFLSJ-HIFRSBDPSA-N 0 3 349.387 1.820 20 5 EDBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000592431289 448833262 /nfs/dbraw/zinc/83/32/62/448833262.db2.gz QHGHNNQARJRLHM-PELKAZGASA-N 0 3 335.282 1.825 20 5 EDBDHN O=C([C@H]1CNCCC1(F)F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592562160 448901359 /nfs/dbraw/zinc/90/13/59/448901359.db2.gz FNTAUHMTVXGBNU-LLVKDONJSA-N 0 3 326.303 1.119 20 5 EDBDHN C[C@H](CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12)S(C)(=O)=O ZINC000568752766 448914683 /nfs/dbraw/zinc/91/46/83/448914683.db2.gz PRPQDCANBHHZBQ-SNVBAGLBSA-N 0 3 325.390 1.641 20 5 EDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)CN(C)C ZINC000588866515 448943409 /nfs/dbraw/zinc/94/34/09/448943409.db2.gz KREQTGXWDPKHAS-GHMZBOCLSA-N 0 3 327.406 1.114 20 5 EDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588864071 448943576 /nfs/dbraw/zinc/94/35/76/448943576.db2.gz ZYSUEAJYXOVWFL-JKSUJKDBSA-N 0 3 333.388 1.195 20 5 EDBDHN COc1cc(C(=O)N2CCOC3(CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592898950 449042909 /nfs/dbraw/zinc/04/29/09/449042909.db2.gz OQYGRTGZCGPOGE-UHFFFAOYSA-N 0 3 349.387 1.540 20 5 EDBDHN C[C@@]1(c2cccc(F)c2)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593046601 449112545 /nfs/dbraw/zinc/11/25/45/449112545.db2.gz PPFZWJDYTLSWBU-DLBZAZTESA-N 0 3 348.378 1.955 20 5 EDBDHN C[C@@]12COC[C@]1(C)CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595690160 449120653 /nfs/dbraw/zinc/12/06/53/449120653.db2.gz WCUVPAMLTPYXBF-XYPHTWIQSA-N 0 3 336.388 1.693 20 5 EDBDHN CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000597946334 449154174 /nfs/dbraw/zinc/15/41/74/449154174.db2.gz OMWNGSZLARKIMW-OAHLLOKOSA-N 0 3 348.403 1.267 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCCN1CCCO ZINC000593731195 449165099 /nfs/dbraw/zinc/16/50/99/449165099.db2.gz UHBYTGDRNKTFRQ-CQSZACIVSA-N 0 3 339.367 1.239 20 5 EDBDHN Cc1ccc(C(=O)N2CC(CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000590399942 449147242 /nfs/dbraw/zinc/14/72/42/449147242.db2.gz MVEJHQFODCONTJ-UHFFFAOYSA-N 0 3 332.404 1.223 20 5 EDBDHN Cc1ccc(NC(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593131388 449147319 /nfs/dbraw/zinc/14/73/19/449147319.db2.gz JCZLCSYKNJLAEP-UHFFFAOYSA-N 0 3 349.391 1.141 20 5 EDBDHN CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CCN(CC)C1 ZINC000598039072 449208953 /nfs/dbraw/zinc/20/89/53/449208953.db2.gz IFSVSWFRNZWTRT-GFCCVEGCSA-N 0 3 335.360 1.880 20 5 EDBDHN CO[C@H]1COCC[C@@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658929 449235556 /nfs/dbraw/zinc/23/55/56/449235556.db2.gz REWORNSTEURDAP-BZNIZROVSA-N 0 3 338.360 1.507 20 5 EDBDHN CN(C)CCN(CCN(C)C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593449868 449290011 /nfs/dbraw/zinc/29/00/11/449290011.db2.gz AMGGZLPBEWMYTF-UHFFFAOYSA-N 0 3 340.399 1.228 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598342581 449357057 /nfs/dbraw/zinc/35/70/57/449357057.db2.gz LGGKHQCRUVDBKO-CQSZACIVSA-N 0 3 348.403 1.234 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000598342241 449357186 /nfs/dbraw/zinc/35/71/86/449357186.db2.gz LDSLYLXMABXLGF-CYBMUJFWSA-N 0 3 343.387 1.995 20 5 EDBDHN C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596125089 449375132 /nfs/dbraw/zinc/37/51/32/449375132.db2.gz ZKPCQUAGICEOIG-CYBMUJFWSA-N 0 3 335.408 1.302 20 5 EDBDHN C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596125089 449375133 /nfs/dbraw/zinc/37/51/33/449375133.db2.gz ZKPCQUAGICEOIG-CYBMUJFWSA-N 0 3 335.408 1.302 20 5 EDBDHN CCN1C[C@@H](C)N(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000596178818 449399691 /nfs/dbraw/zinc/39/96/91/449399691.db2.gz SKZQCIKKFZZHAZ-WDEREUQCSA-N 0 3 342.421 1.161 20 5 EDBDHN C[C@H](NC(=O)c1ccn(CCN(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000594241595 449406635 /nfs/dbraw/zinc/40/66/35/449406635.db2.gz DIVMQFQWTMHKTC-LBPRGKRZSA-N 0 3 331.376 1.844 20 5 EDBDHN C[C@@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCN1C ZINC000596144467 449383671 /nfs/dbraw/zinc/38/36/71/449383671.db2.gz FDXVLRMKDPYMRQ-KOLCDFICSA-N 0 3 328.394 1.137 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(N3CCC(N4CCCOCC4)CC3)nn21 ZINC000596268204 449446831 /nfs/dbraw/zinc/44/68/31/449446831.db2.gz HSPJWVKFEGMIFR-UHFFFAOYSA-N 0 3 346.391 1.329 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1 ZINC000598572883 449471456 /nfs/dbraw/zinc/47/14/56/449471456.db2.gz MGXOYTDCZCFFJR-ZDUSSCGKSA-N 0 3 335.360 1.436 20 5 EDBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000596537361 449544478 /nfs/dbraw/zinc/54/44/78/449544478.db2.gz DHKMJYPBKKWZBU-OAHLLOKOSA-N 0 3 333.388 1.833 20 5 EDBDHN C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)[C@@H](C)CN1 ZINC000602485750 449626785 /nfs/dbraw/zinc/62/67/85/449626785.db2.gz RHXJOEUWXYTANN-QWRGUYRKSA-N 0 3 347.350 1.742 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CNCCCN1CCCS1(=O)=O ZINC000601136710 449710404 /nfs/dbraw/zinc/71/04/04/449710404.db2.gz KCESXASHTYEWFB-UHFFFAOYSA-N 0 3 327.406 1.418 20 5 EDBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000599106928 449739313 /nfs/dbraw/zinc/73/93/13/449739313.db2.gz KIHMUZPUNNHVCH-CYBMUJFWSA-N 0 3 325.390 1.299 20 5 EDBDHN COC[C@@H](C)Oc1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000594930014 449812711 /nfs/dbraw/zinc/81/27/11/449812711.db2.gz AFUJXURFDSDNHQ-CYBMUJFWSA-N 0 3 334.376 1.995 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CC(C)(C)CN1CCOCC1 ZINC000602801986 449821065 /nfs/dbraw/zinc/82/10/65/449821065.db2.gz SCGZYMNIWJMZKF-UHFFFAOYSA-N 0 3 339.440 1.390 20 5 EDBDHN Cc1cc(S(=O)(=O)[N-]CC(C)(C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601285771 449799093 /nfs/dbraw/zinc/79/90/93/449799093.db2.gz XAGMVGGMPJCQQI-UHFFFAOYSA-N 0 3 335.451 1.831 20 5 EDBDHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595091524 449866075 /nfs/dbraw/zinc/86/60/75/449866075.db2.gz RWVFSRKJSYSXFY-LBPRGKRZSA-N 0 3 334.376 1.522 20 5 EDBDHN CN(C)CCN(C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)N(C)C ZINC000597206195 449870205 /nfs/dbraw/zinc/87/02/05/449870205.db2.gz RICBLMPPXVHUJK-CLFYSBASSA-N 0 3 334.420 1.560 20 5 EDBDHN CN(C)CCn1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])ccc1=O ZINC000601373189 449888735 /nfs/dbraw/zinc/88/87/35/449888735.db2.gz RDCUPTDEMJDZQK-UHFFFAOYSA-N 0 3 348.334 1.710 20 5 EDBDHN COCc1n[nH]c(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000595064862 449852129 /nfs/dbraw/zinc/85/21/29/449852129.db2.gz BZGOVOBJZOGEJA-MNOVXSKESA-N 0 3 335.368 1.329 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000595194598 449936111 /nfs/dbraw/zinc/93/61/11/449936111.db2.gz QJLADKWVIOKDMB-CYBMUJFWSA-N 0 3 334.376 1.442 20 5 EDBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000601421026 449938728 /nfs/dbraw/zinc/93/87/28/449938728.db2.gz ACQHMDVUKDDDCG-SKDRFNHKSA-N 0 3 331.369 1.447 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599475750 450005015 /nfs/dbraw/zinc/00/50/15/450005015.db2.gz DIMUSHVCULJPPS-GFCCVEGCSA-N 0 3 347.350 1.744 20 5 EDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609382351 450021612 /nfs/dbraw/zinc/02/16/12/450021612.db2.gz APIDDANFNDXWJZ-LBPRGKRZSA-N 0 3 347.371 1.580 20 5 EDBDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000615313907 450059665 /nfs/dbraw/zinc/05/96/65/450059665.db2.gz XONOCRDSUFDMLG-GFCCVEGCSA-N 0 3 334.376 1.524 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000610913240 450378919 /nfs/dbraw/zinc/37/89/19/450378919.db2.gz KUZNFCQNVZHBDS-AWEZNQCLSA-N 0 3 333.388 1.886 20 5 EDBDHN CN(C)CCOc1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000347183494 535913011 /nfs/dbraw/zinc/91/30/11/535913011.db2.gz BOPIUAJGNHFJDK-UHFFFAOYSA-N 0 3 333.348 1.521 20 5 EDBDHN CN(C)C[C@](C)(O)CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269877649 535971878 /nfs/dbraw/zinc/97/18/78/535971878.db2.gz JOTQZZWKSPHSIY-CQSZACIVSA-N 0 3 344.799 1.360 20 5 EDBDHN COCCN(C)CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270247054 536788184 /nfs/dbraw/zinc/78/81/84/536788184.db2.gz DMFAHJNBPAYDNM-UHFFFAOYSA-N 0 3 338.408 1.405 20 5 EDBDHN Cc1c(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000743978710 579496121 /nfs/dbraw/zinc/49/61/21/579496121.db2.gz NIEWXSUKZLOHFA-NSHDSACASA-N 0 3 334.376 1.442 20 5 EDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000726162428 578334966 /nfs/dbraw/zinc/33/49/66/578334966.db2.gz IGWLPHKELCVELK-OXUBUWLOSA-N 0 3 331.372 1.587 20 5 EDBDHN CN(C)C1(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000783750483 580605195 /nfs/dbraw/zinc/60/51/95/580605195.db2.gz RVNMETKXIQOESZ-UHFFFAOYSA-N 0 3 331.376 1.545 20 5 EDBDHN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000787505495 580696456 /nfs/dbraw/zinc/69/64/56/580696456.db2.gz KBJGCLKOUTVBIE-UHFFFAOYSA-N 0 3 348.359 1.742 20 5 EDBDHN Cn1c2ccccc2c(NC[C@H]2CSCCN2)c([N+](=O)[O-])c1=O ZINC000895125612 591602814 /nfs/dbraw/zinc/60/28/14/591602814.db2.gz WCOKKGCNQCIJCA-JTQLQIEISA-N 0 3 334.401 1.564 20 5 EDBDHN O=[N+]([O-])c1cc2c(nc1N1CC[C@H]3[C@H]1CCCN3CCO)CCCC2 ZINC000897219709 591773964 /nfs/dbraw/zinc/77/39/64/591773964.db2.gz NBZULNGXWPUCMN-JKSUJKDBSA-N 0 3 346.431 1.904 20 5 EDBDHN Cn1c2cc(NCCN3CCC(C)(C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000897249422 591786509 /nfs/dbraw/zinc/78/65/09/591786509.db2.gz SXBZSAMIEHWYPY-UHFFFAOYSA-N 0 3 347.419 1.929 20 5 EDBDHN CCN1CCC(NC(=O)COc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000902330758 591980141 /nfs/dbraw/zinc/98/01/41/591980141.db2.gz BCGNRHVKOMBVCG-UHFFFAOYSA-N 0 3 325.340 1.713 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CCN1C ZINC000900666528 592085515 /nfs/dbraw/zinc/08/55/15/592085515.db2.gz NKJYJXDQSUXCNI-LRDDRELGSA-N 0 3 343.387 1.662 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000905589515 592583626 /nfs/dbraw/zinc/58/36/26/592583626.db2.gz ADXWILGZHDXLSX-HZPDHXFCSA-N 0 3 336.388 1.946 20 5 EDBDHN CN1CC[C@@H]2CN(CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C[C@@H]21 ZINC000840133264 593246779 /nfs/dbraw/zinc/24/67/79/593246779.db2.gz RLBPFWMVCXYCEO-CJNGLKHVSA-N 0 3 345.403 1.430 20 5 EDBDHN CC(COC(=O)CSCc1cc(=O)n2ccsc2n1)[N+](=O)[O-] ZINC000813101495 593517456 /nfs/dbraw/zinc/51/74/56/593517456.db2.gz BQTWYSAFBXZCCJ-QMMMGPOBSA-N 0 3 343.386 1.198 20 5 EDBDHN CC(C)NS(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103544 593517743 /nfs/dbraw/zinc/51/77/43/593517743.db2.gz QFNUDGKIJQTMMU-JTQLQIEISA-N 0 3 330.362 1.195 20 5 EDBDHN CC(COC(=O)[C@@H]1CCCN1c1ncnc2ccccc21)[N+](=O)[O-] ZINC000813107677 593518272 /nfs/dbraw/zinc/51/82/72/593518272.db2.gz QJZAQFQZALUQCM-FZMZJTMJSA-N 0 3 330.344 1.807 20 5 EDBDHN CC(COC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)[N+](=O)[O-] ZINC000813113840 593518948 /nfs/dbraw/zinc/51/89/48/593518948.db2.gz JVKNICZNLAPCFW-UWVGGRQHSA-N 0 3 342.373 1.219 20 5 EDBDHN CCOc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813115289 593518953 /nfs/dbraw/zinc/51/89/53/593518953.db2.gz OIZNXVBQQAAJNG-NWDGAFQWSA-N 0 3 336.344 1.647 20 5 EDBDHN COCCN(C)CCCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816869352 593555014 /nfs/dbraw/zinc/55/50/14/593555014.db2.gz OHQCYPLNLVZXEJ-UHFFFAOYSA-N 0 3 329.784 1.946 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000816950201 593562649 /nfs/dbraw/zinc/56/26/49/593562649.db2.gz NGVDDKSYVHEISG-DOMZBBRYSA-N 0 3 329.360 1.107 20 5 EDBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@@H+]1C1CC1 ZINC000820667712 593858087 /nfs/dbraw/zinc/85/80/87/593858087.db2.gz NOVMFMSTKCNTOP-IUCAKERBSA-N 0 3 330.352 1.207 20 5 EDBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@H+]1C1CC1 ZINC000820667712 593858089 /nfs/dbraw/zinc/85/80/89/593858089.db2.gz NOVMFMSTKCNTOP-IUCAKERBSA-N 0 3 330.352 1.207 20 5 EDBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@@H+]1C1CC1 ZINC000820667712 593858091 /nfs/dbraw/zinc/85/80/91/593858091.db2.gz NOVMFMSTKCNTOP-IUCAKERBSA-N 0 3 330.352 1.207 20 5 EDBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@H+]1C1CC1 ZINC000820667712 593858093 /nfs/dbraw/zinc/85/80/93/593858093.db2.gz NOVMFMSTKCNTOP-IUCAKERBSA-N 0 3 330.352 1.207 20 5 EDBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000820732267 593874667 /nfs/dbraw/zinc/87/46/67/593874667.db2.gz ZMFSSAODJLEADD-MWLCHTKSSA-N 0 3 347.824 1.961 20 5 EDBDHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820752146 593881116 /nfs/dbraw/zinc/88/11/16/593881116.db2.gz KXIZUDGOWWDNKA-YGRLFVJLSA-N 0 3 331.380 1.916 20 5 EDBDHN CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820752146 593881119 /nfs/dbraw/zinc/88/11/19/593881119.db2.gz KXIZUDGOWWDNKA-YGRLFVJLSA-N 0 3 331.380 1.916 20 5 EDBDHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820752146 593881121 /nfs/dbraw/zinc/88/11/21/593881121.db2.gz KXIZUDGOWWDNKA-YGRLFVJLSA-N 0 3 331.380 1.916 20 5 EDBDHN CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820752146 593881123 /nfs/dbraw/zinc/88/11/23/593881123.db2.gz KXIZUDGOWWDNKA-YGRLFVJLSA-N 0 3 331.380 1.916 20 5 EDBDHN O=[N+]([O-])c1ccc(-n2ccc(-c3nc(N4CCNCC4)no3)n2)cc1 ZINC000823315893 594184750 /nfs/dbraw/zinc/18/47/50/594184750.db2.gz PYOHZZVQMMIDQE-UHFFFAOYSA-N 0 3 341.331 1.240 20 5 EDBDHN CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](CN)C1 ZINC000841233473 594873808 /nfs/dbraw/zinc/87/38/08/594873808.db2.gz VHXLPBVFEIAWPV-VIFPVBQESA-N 0 3 327.772 1.355 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CCN(C)C2)cc1Cl ZINC000836785877 594997588 /nfs/dbraw/zinc/99/75/88/594997588.db2.gz YXVMFVJAVFSNQM-AWEZNQCLSA-N 0 3 327.768 1.353 20 5 EDBDHN CN(C)CC[C@@](C)(O)CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000842248838 595054291 /nfs/dbraw/zinc/05/42/91/595054291.db2.gz BVNRTJAFIMGFKC-CQSZACIVSA-N 0 3 345.346 1.506 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000843468948 595121748 /nfs/dbraw/zinc/12/17/48/595121748.db2.gz FBDLSOVLGBRFSZ-GFCCVEGCSA-N 0 3 336.348 1.881 20 5 EDBDHN CC(C)N1CCO[C@@H](C(=N)NOCc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000842649969 595157303 /nfs/dbraw/zinc/15/73/03/595157303.db2.gz WRMFSWCQPDIQMH-CQSZACIVSA-N 0 3 340.355 1.842 20 5 EDBDHN O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)CCCN1CCCC1 ZINC000867115751 595244981 /nfs/dbraw/zinc/24/49/81/595244981.db2.gz VIUICGQYKMRDQM-UHFFFAOYSA-N 0 3 332.353 1.928 20 5 EDBDHN Cc1cccc(OC[C@H](O)CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843068441 595279861 /nfs/dbraw/zinc/27/98/61/595279861.db2.gz JSAINKXEHXEBJH-SJLPKXTDSA-N 0 3 346.383 1.966 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000843093298 595285870 /nfs/dbraw/zinc/28/58/70/595285870.db2.gz GIAAPDIDJVZXLL-DOTOQJQBSA-N 0 3 334.347 1.961 20 5 EDBDHN N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000850587696 595539861 /nfs/dbraw/zinc/53/98/61/595539861.db2.gz GXFFTHVYASUZCE-UONOGXRCSA-N 0 3 348.384 1.105 20 5 EDBDHN O=C1N(CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000853118559 595671093 /nfs/dbraw/zinc/67/10/93/595671093.db2.gz MWNRTKBAHCEXTP-JKSUJKDBSA-N 0 3 348.403 1.508 20 5 EDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@]1(OCCO)CCOC1 ZINC000850357912 595817177 /nfs/dbraw/zinc/81/71/77/595817177.db2.gz BAXFCNZGDGDDPP-AWEZNQCLSA-N 0 3 330.768 1.506 20 5 EDBDHN O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000852435964 596161385 /nfs/dbraw/zinc/16/13/85/596161385.db2.gz URGFJVGFVKZDET-AWEZNQCLSA-N 0 3 348.359 1.450 20 5 EDBDHN O=C1CCCN1C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852680024 596226048 /nfs/dbraw/zinc/22/60/48/596226048.db2.gz JLLKRIJYWBVNFL-CZUORRHYSA-N 0 3 333.388 1.573 20 5 EDBDHN COCc1nc2n(n1)C[C@H](NCc1cccc([N+](=O)[O-])c1C)CC2 ZINC000873076497 597182589 /nfs/dbraw/zinc/18/25/89/597182589.db2.gz OCHGYROOPWJAJU-CYBMUJFWSA-N 0 3 331.376 1.746 20 5 EDBDHN Cc1c(CNC[C@@H]2CCCCN2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873126955 597205996 /nfs/dbraw/zinc/20/59/96/597205996.db2.gz ZIHUSPGLELEGEU-AWEZNQCLSA-N 0 3 341.433 1.807 20 5 EDBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877345828 597497054 /nfs/dbraw/zinc/49/70/54/597497054.db2.gz KOMBDHCJAXTDOS-HNNXBMFYSA-N 0 3 341.367 1.804 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(N(C)CC(F)F)CC1 ZINC000878256438 597590536 /nfs/dbraw/zinc/59/05/36/597590536.db2.gz AQUHTJHWGIZYGQ-UHFFFAOYSA-N 0 3 331.367 1.761 20 5 EDBDHN NC(=O)[C@H](C1CC1)N(CCOc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000879493192 597607177 /nfs/dbraw/zinc/60/71/77/597607177.db2.gz UBOQENSEZONMCW-INIZCTEOSA-N 0 3 333.388 1.950 20 5 EDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]2C1 ZINC000916666289 696716069 /nfs/dbraw/zinc/71/60/69/696716069.db2.gz GDZCKBVNSJCNDB-ZJUUUORDSA-N 0 3 331.419 1.229 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)C2=CCCC2)CC1 ZINC000997679826 704043935 /nfs/dbraw/zinc/04/39/35/704043935.db2.gz QTLUHZGHIAGKFI-UHFFFAOYSA-N 0 3 347.419 1.767 20 5 EDBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CC1 ZINC000187466363 530000948 /nfs/dbraw/zinc/00/09/48/530000948.db2.gz HWLZYKJSZFERCI-CQSZACIVSA-N 0 3 343.387 1.958 20 5 EDBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000560505761 306272610 /nfs/dbraw/zinc/27/26/10/306272610.db2.gz BTECWKDVRWQAQE-OAHLLOKOSA-N 0 3 339.779 1.435 20 5 EDBDHN CN(CCN1CCCC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000103117532 219256690 /nfs/dbraw/zinc/25/66/90/219256690.db2.gz WIIMJZUPILEZRI-UHFFFAOYSA-N 0 3 343.387 1.948 20 5 EDBDHN COc1cc(C(=O)N(C)CCN2CCCC2)c([N+](=O)[O-])cc1OC ZINC000103118230 219256730 /nfs/dbraw/zinc/25/67/30/219256730.db2.gz VWIFTXREGDHFAZ-UHFFFAOYSA-N 0 3 337.376 1.780 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000072075773 216003626 /nfs/dbraw/zinc/00/36/26/216003626.db2.gz XQVPCRHPXTWHHH-YPMHNXCESA-N 0 3 335.360 1.196 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129690363 223081521 /nfs/dbraw/zinc/08/15/21/223081521.db2.gz ZMRSPYHSAQHJLP-HNNXBMFYSA-N 0 3 335.404 1.628 20 5 EDBDHN COCCN(CCN(C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130339715 223144771 /nfs/dbraw/zinc/14/47/71/223144771.db2.gz JLEXYXFCFRXHMH-UHFFFAOYSA-N 0 3 348.403 1.655 20 5 EDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000566018847 306396952 /nfs/dbraw/zinc/39/69/52/306396952.db2.gz QOTDHSOTPUPSAN-KRWDZBQOSA-N 0 3 345.355 1.528 20 5 EDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CNCCC1(F)F ZINC000414999605 304149726 /nfs/dbraw/zinc/14/97/26/304149726.db2.gz KKPMGOWNUDCSGH-GXFFZTMASA-N 0 3 342.346 1.899 20 5 EDBDHN O=C1[C@@H](N2CC[C@@H](N3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000226543455 139022017 /nfs/dbraw/zinc/02/20/17/139022017.db2.gz HWDLHWAPZJWBFP-SJORKVTESA-N 0 3 344.415 1.870 20 5 EDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@H]1CC[NH2+]C1 ZINC000110797176 220067100 /nfs/dbraw/zinc/06/71/00/220067100.db2.gz VXUIFVYEQAIKRO-SECBINFHSA-N 0 3 333.797 1.526 20 5 EDBDHN CCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000110815964 220068585 /nfs/dbraw/zinc/06/85/85/220068585.db2.gz ZQIXOGBPADHWDO-UHFFFAOYSA-N 0 3 337.376 1.536 20 5 EDBDHN C[C@@H]1CN(C[C@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000246545112 139112252 /nfs/dbraw/zinc/11/22/52/139112252.db2.gz CTEYSHXFQWPJOJ-QLFBSQMISA-N 0 3 337.424 1.365 20 5 EDBDHN O=C(CCN[C@@H](CO)Cc1ccncc1)Nc1ccccc1[N+](=O)[O-] ZINC000568750077 306488170 /nfs/dbraw/zinc/48/81/70/306488170.db2.gz UNJBNPIWOMEAPG-CQSZACIVSA-N 0 3 344.371 1.512 20 5 EDBDHN C[C@@H]1CCN[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000261659613 139215282 /nfs/dbraw/zinc/21/52/82/139215282.db2.gz KMEYAWZZTAFCEE-CJNGLKHVSA-N 0 3 332.404 1.632 20 5 EDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H](N)C1CCOCC1 ZINC000261793016 139226421 /nfs/dbraw/zinc/22/64/21/139226421.db2.gz NSHFCKFDJBTFBX-AWEZNQCLSA-N 0 3 341.795 1.961 20 5 EDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1F)CCNC2 ZINC000261815870 139228519 /nfs/dbraw/zinc/22/85/19/139228519.db2.gz XHGXUDASHJWMAX-UHFFFAOYSA-N 0 3 333.323 1.605 20 5 EDBDHN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCN(C)C1 ZINC000153940067 224179865 /nfs/dbraw/zinc/17/98/65/224179865.db2.gz OFDDJACMWOLJQN-MRXNPFEDSA-N 0 3 343.387 1.947 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000570412027 306541483 /nfs/dbraw/zinc/54/14/83/306541483.db2.gz VIWIFCJDOFBAKO-KRWDZBQOSA-N 0 3 333.388 1.398 20 5 EDBDHN Cc1c(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)cccc1[N+](=O)[O-] ZINC000118102545 221117568 /nfs/dbraw/zinc/11/75/68/221117568.db2.gz YVRDMTUKWTVAQJ-AWEZNQCLSA-N 0 3 334.376 1.298 20 5 EDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000270434858 140099595 /nfs/dbraw/zinc/09/95/95/140099595.db2.gz GPPIABNHLVOWJK-OLZOCXBDSA-N 0 3 327.381 1.852 20 5 EDBDHN Cc1ccc([C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000270850821 140182700 /nfs/dbraw/zinc/18/27/00/140182700.db2.gz XXASLTZWIYETSC-CYBMUJFWSA-N 0 3 331.376 1.669 20 5 EDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CC(=O)N2C ZINC000271432579 140295065 /nfs/dbraw/zinc/29/50/65/140295065.db2.gz BEIBYZACWMTXTQ-LLVKDONJSA-N 0 3 329.360 1.661 20 5 EDBDHN COC(=O)Cn1cc(CCN[C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000271819057 140355788 /nfs/dbraw/zinc/35/57/88/140355788.db2.gz ZURQSAWXNXCJDQ-NSHDSACASA-N 0 3 333.348 1.253 20 5 EDBDHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331965090 141103950 /nfs/dbraw/zinc/10/39/50/141103950.db2.gz BQNCCHCYEZQPCQ-PVAVHDDUSA-N 0 3 349.431 1.893 20 5 EDBDHN CN1CCC(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000346196564 143177727 /nfs/dbraw/zinc/17/77/27/143177727.db2.gz RBIXJNDGQIMBOJ-CYBMUJFWSA-N 0 3 333.392 1.344 20 5 EDBDHN CO[C@@H]1C[C@H](CN(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N(C)C1 ZINC000346697195 143233333 /nfs/dbraw/zinc/23/33/33/143233333.db2.gz AWBFBBOJZKIDRH-CHWSQXEVSA-N 0 3 346.387 1.867 20 5 EDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@@H]2n2cc(CO)nn2)cc1 ZINC000353196292 149321082 /nfs/dbraw/zinc/32/10/82/149321082.db2.gz XDSGSICJSPYEMR-CVEARBPZSA-N 0 3 331.376 1.952 20 5 EDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000355327620 150218940 /nfs/dbraw/zinc/21/89/40/150218940.db2.gz XSKJRCGCYZNKDE-INIZCTEOSA-N 0 3 335.404 1.707 20 5 EDBDHN COc1ccc(CNC(=O)N2CCN(C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000355417347 150259903 /nfs/dbraw/zinc/25/99/03/150259903.db2.gz JILDHIYEBJAOSD-GFCCVEGCSA-N 0 3 336.392 1.839 20 5 EDBDHN C[C@H](CN(C)C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000358497577 151394938 /nfs/dbraw/zinc/39/49/38/151394938.db2.gz JRUUHSKOCYKXIO-CYBMUJFWSA-N 0 3 335.408 1.377 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000270506853 286381634 /nfs/dbraw/zinc/38/16/34/286381634.db2.gz QLVUHQMDHXFBEQ-KBPBESRZSA-N 0 3 339.417 1.721 20 5 EDBDHN O=C(COc1ccccc1[N+](=O)[O-])Nc1cnc2c(c1)CNCC2 ZINC000367372660 154092865 /nfs/dbraw/zinc/09/28/65/154092865.db2.gz UAHOZTVKIRXKMV-UHFFFAOYSA-N 0 3 328.328 1.653 20 5 EDBDHN COCCCN(C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000266172751 292334528 /nfs/dbraw/zinc/33/45/28/292334528.db2.gz USBINKBXAZRTGH-UHFFFAOYSA-N 0 3 348.403 1.634 20 5 EDBDHN C[C@]1(c2ccccc2)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000378127276 158086451 /nfs/dbraw/zinc/08/64/51/158086451.db2.gz PIXBNCIETPVKKP-IRXDYDNUSA-N 0 3 330.388 1.816 20 5 EDBDHN Cc1cc(C(=O)Nc2cnc3c(c2)CNCC3)c(N)c([N+](=O)[O-])c1 ZINC000378392089 158162600 /nfs/dbraw/zinc/16/26/00/158162600.db2.gz DIRCEPCZFZVJHO-UHFFFAOYSA-N 0 3 327.344 1.778 20 5 EDBDHN Cc1c(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000365185037 162353472 /nfs/dbraw/zinc/35/34/72/162353472.db2.gz MLJVCIPTJNZGOY-OLZOCXBDSA-N 0 3 334.376 1.888 20 5 EDBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000122372120 222073972 /nfs/dbraw/zinc/07/39/72/222073972.db2.gz DAJSAOIZFAPKHW-WFASDCNBSA-N 0 3 339.417 1.700 20 5 EDBDHN CCN1CCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273431684 273039134 /nfs/dbraw/zinc/03/91/34/273039134.db2.gz ARZVNWDGRRCPFV-SNVBAGLBSA-N 0 3 328.394 1.138 20 5 EDBDHN COc1cc(CNC[C@H](CO)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000280306772 273354811 /nfs/dbraw/zinc/35/48/11/273354811.db2.gz OBOZWKUFIXZDNX-WCQYABFASA-N 0 3 340.376 1.347 20 5 EDBDHN COC[C@H](C)OC[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292208708 289289167 /nfs/dbraw/zinc/28/91/67/289289167.db2.gz TUDMQXKRVILKEH-STQMWFEESA-N 0 3 326.393 1.832 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CNCC[C@@H]1C ZINC000193412297 301428561 /nfs/dbraw/zinc/42/85/61/301428561.db2.gz WZZKFNZULVVKNH-ZANVPECISA-N 0 3 327.406 1.488 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000408060676 302048458 /nfs/dbraw/zinc/04/84/58/302048458.db2.gz GJVPDLMHJIODIA-OLZOCXBDSA-N 0 3 339.417 1.808 20 5 EDBDHN C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295317394 303203978 /nfs/dbraw/zinc/20/39/78/303203978.db2.gz KUDYWZQXGFINHH-CYBMUJFWSA-N 0 3 333.388 1.916 20 5 EDBDHN Cc1cc(F)c(NC(=O)N2CCO[C@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000296778528 303337353 /nfs/dbraw/zinc/33/73/53/303337353.db2.gz PMCGFDCCAVACNT-LLVKDONJSA-N 0 3 340.355 1.837 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000296903825 303345837 /nfs/dbraw/zinc/34/58/37/303345837.db2.gz OMWRFVBSTAYNCE-IUODEOHRSA-N 0 3 336.392 1.822 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2n[nH]nc2C1 ZINC000429283605 305027555 /nfs/dbraw/zinc/02/75/55/305027555.db2.gz JSFNDVFBJKYFGV-UHFFFAOYSA-N 0 3 346.347 1.108 20 5 EDBDHN CN(C)CCN1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429848746 305038937 /nfs/dbraw/zinc/03/89/37/305038937.db2.gz SLZIFUBBZCZYKL-UHFFFAOYSA-N 0 3 348.447 1.578 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000443778493 305241177 /nfs/dbraw/zinc/24/11/77/305241177.db2.gz HJHMSIMFVVAZMZ-BXUZGUMPSA-N 0 3 327.406 1.307 20 5 EDBDHN Cc1c(NC(=O)CCN[C@@H](CO)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447910813 305288774 /nfs/dbraw/zinc/28/87/74/305288774.db2.gz DIVABLZIKATOSC-ZFWWWQNUSA-N 0 3 337.376 1.361 20 5 EDBDHN COc1cc(C(=O)NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000452347730 305391091 /nfs/dbraw/zinc/39/10/91/305391091.db2.gz JONCHWPFMUVQOG-ZDUSSCGKSA-N 0 3 337.376 1.180 20 5 EDBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000452367797 305393400 /nfs/dbraw/zinc/39/34/00/305393400.db2.gz QFYFCKZBBIREHO-GFCCVEGCSA-N 0 3 325.340 1.311 20 5 EDBDHN CC(C)(C(=O)N[C@@H]1CCCN(CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000452386890 305396774 /nfs/dbraw/zinc/39/67/74/305396774.db2.gz YGHHQXOGNDJVPN-CQSZACIVSA-N 0 3 349.431 1.835 20 5 EDBDHN CNc1nc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000456025497 305450192 /nfs/dbraw/zinc/45/01/92/305450192.db2.gz VYFAYNXURUGCOB-LLVKDONJSA-N 0 3 335.408 1.834 20 5 EDBDHN N[C@H](Cc1ccccc1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000514931972 305709820 /nfs/dbraw/zinc/70/98/20/305709820.db2.gz LYCACQNYMQPMSJ-OAHLLOKOSA-N 0 3 343.387 1.525 20 5 EDBDHN Cn1ccnc1[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000534579633 306008172 /nfs/dbraw/zinc/00/81/72/306008172.db2.gz YQVIVZAOZGHPIR-ZDUSSCGKSA-N 0 3 329.360 1.417 20 5 EDBDHN Cc1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000081764978 441310881 /nfs/dbraw/zinc/31/08/81/441310881.db2.gz DRMLFYZEHDXXIF-ZDUSSCGKSA-N 0 3 349.435 1.099 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000073842146 441359613 /nfs/dbraw/zinc/35/96/13/441359613.db2.gz ZERPHXSZEJOJDE-NSHDSACASA-N 0 3 325.390 1.357 20 5 EDBDHN COC(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026219667 441371270 /nfs/dbraw/zinc/37/12/70/441371270.db2.gz FBSVPPMFBYAVKZ-UHFFFAOYSA-N 0 3 335.360 1.808 20 5 EDBDHN Cc1n[nH]c(C(=O)NCc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000064355234 441375956 /nfs/dbraw/zinc/37/59/56/441375956.db2.gz DDRJUGRXNLXCIX-UHFFFAOYSA-N 0 3 347.375 1.497 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108617964 441469242 /nfs/dbraw/zinc/46/92/42/441469242.db2.gz VXCTYPRQCKYTIU-CQSZACIVSA-N 0 3 346.387 1.442 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088229597 441499998 /nfs/dbraw/zinc/49/99/98/441499998.db2.gz GLQPDRPHRPIPGK-UHFFFAOYSA-N 0 3 335.364 1.283 20 5 EDBDHN CN1CCN(CCCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000075654429 441545990 /nfs/dbraw/zinc/54/59/90/441545990.db2.gz XAOZXSXTPXVXKB-CMDGGOBGSA-N 0 3 346.431 1.752 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000109846553 441509947 /nfs/dbraw/zinc/50/99/47/441509947.db2.gz RTKQDARQOQTSGV-UHFFFAOYSA-N 0 3 335.408 1.696 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000041597167 441661770 /nfs/dbraw/zinc/66/17/70/441661770.db2.gz UOQKFSJOLBHSLL-GFCCVEGCSA-N 0 3 334.376 1.442 20 5 EDBDHN CCC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1CCOC ZINC000121714598 441765246 /nfs/dbraw/zinc/76/52/46/441765246.db2.gz INYRPGKFTRSJOS-CQSZACIVSA-N 0 3 325.413 1.224 20 5 EDBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000173558504 441791387 /nfs/dbraw/zinc/79/13/87/441791387.db2.gz QVHTYKHXJPRJLH-UHFFFAOYSA-N 0 3 329.784 1.946 20 5 EDBDHN CCC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1CCOC ZINC000121856805 441797038 /nfs/dbraw/zinc/79/70/38/441797038.db2.gz WOUBHNXSMHXGKX-CQSZACIVSA-N 0 3 325.413 1.224 20 5 EDBDHN CN1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000077523826 441798147 /nfs/dbraw/zinc/79/81/47/441798147.db2.gz SHUPRCLFNJKNDX-UHFFFAOYSA-N 0 3 332.404 1.973 20 5 EDBDHN CN(CCCN1CCN(C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173651738 441814334 /nfs/dbraw/zinc/81/43/34/441814334.db2.gz REBHKJTXJIAENB-UHFFFAOYSA-N 0 3 334.420 1.233 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000160793986 441921847 /nfs/dbraw/zinc/92/18/47/441921847.db2.gz ODHDTAHDDTVMKX-OAHLLOKOSA-N 0 3 332.404 1.822 20 5 EDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150789148 441951131 /nfs/dbraw/zinc/95/11/31/441951131.db2.gz ZRHAAFGBIVEUMF-LLVKDONJSA-N 0 3 345.421 1.612 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000069501357 441953363 /nfs/dbraw/zinc/95/33/63/441953363.db2.gz OFSUHJJFAODXJA-LBPRGKRZSA-N 0 3 325.340 1.575 20 5 EDBDHN [NH3+][C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000125173068 441993461 /nfs/dbraw/zinc/99/34/61/441993461.db2.gz MEYNBRLDURUWKT-VHSXEESVSA-N 0 3 333.797 1.796 20 5 EDBDHN C[C@H]1C[C@@H](N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCN1C ZINC000127865089 442230047 /nfs/dbraw/zinc/23/00/47/442230047.db2.gz CPRCREQGBCSNRW-JSGCOSHPSA-N 0 3 349.387 1.727 20 5 EDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@](C)(O)CN(C)C ZINC000152871440 442248465 /nfs/dbraw/zinc/24/84/65/442248465.db2.gz XPZPAUPPXBUMAS-XHDPSFHLSA-N 0 3 341.433 1.504 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000177531129 442354446 /nfs/dbraw/zinc/35/44/46/442354446.db2.gz SKJOISOOLDFMTB-CYBMUJFWSA-N 0 3 334.376 1.394 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000177446067 442342606 /nfs/dbraw/zinc/34/26/06/442342606.db2.gz BVFNBNLQNGNRGN-DZGCQCFKSA-N 0 3 343.387 1.571 20 5 EDBDHN COCCCN(C)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192625523 442669538 /nfs/dbraw/zinc/66/95/38/442669538.db2.gz LYYKZGXGVQVALF-UHFFFAOYSA-N 0 3 325.365 1.302 20 5 EDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCO2 ZINC000182263624 442751291 /nfs/dbraw/zinc/75/12/91/442751291.db2.gz XSTJSRABPSLHDP-LLVKDONJSA-N 0 3 331.328 1.836 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H]1C(=O)NCC[C@H]1C ZINC000193624712 442761122 /nfs/dbraw/zinc/76/11/22/442761122.db2.gz PGTGZNUYSZKKFB-MEBBXXQBSA-N 0 3 334.376 1.346 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000265577117 442831070 /nfs/dbraw/zinc/83/10/70/442831070.db2.gz IFQJJBSLUQFZLD-UHFFFAOYSA-N 0 3 341.795 1.825 20 5 EDBDHN CC[C@H](O)CN(Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246822235 442815904 /nfs/dbraw/zinc/81/59/04/442815904.db2.gz NTYSJXMDYPJVND-DLBZAZTESA-N 0 3 348.403 1.425 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000194744140 442946925 /nfs/dbraw/zinc/94/69/25/442946925.db2.gz REDJIPPHOLGOIG-CYBMUJFWSA-N 0 3 329.360 1.605 20 5 EDBDHN CC(C)(C(=O)NCCCNCc1cccnc1)n1cc([N+](=O)[O-])cn1 ZINC000236707048 443145532 /nfs/dbraw/zinc/14/55/32/443145532.db2.gz VDUBLLLVGIKQQT-UHFFFAOYSA-N 0 3 346.391 1.218 20 5 EDBDHN N[C@H]1Cc2ccccc2N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261730441 443166461 /nfs/dbraw/zinc/16/64/61/443166461.db2.gz RRIYRIDJLAGXKM-AWEZNQCLSA-N 0 3 347.396 1.815 20 5 EDBDHN COC(=O)[C@H]1CN(C)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411901752 319212838 /nfs/dbraw/zinc/21/28/38/319212838.db2.gz HFCJYBYYQJBDRP-ZDUSSCGKSA-N 0 3 337.376 1.010 20 5 EDBDHN CN1CCC(O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000267018111 443314707 /nfs/dbraw/zinc/31/47/07/443314707.db2.gz CGJFXCYLHMBUGD-UHFFFAOYSA-N 0 3 349.412 1.996 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N(C)C)n1 ZINC000191458460 443296828 /nfs/dbraw/zinc/29/68/28/443296828.db2.gz MHXUVBVMMPLUSU-ZDUSSCGKSA-N 0 3 331.376 1.844 20 5 EDBDHN C[C@H]1CN(CCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCCO1 ZINC000278540573 443358105 /nfs/dbraw/zinc/35/81/05/443358105.db2.gz NZEAFDWTCCVYHA-LBPRGKRZSA-N 0 3 339.367 1.965 20 5 EDBDHN COC(=O)c1cc(Oc2ncnc3c2CN(C)CC3)ccc1[N+](=O)[O-] ZINC000264763643 443413295 /nfs/dbraw/zinc/41/32/95/443413295.db2.gz IVGPIUQPQPEXCU-UHFFFAOYSA-N 0 3 344.327 1.952 20 5 EDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)C(=O)NCCF ZINC000282763534 443427214 /nfs/dbraw/zinc/42/72/14/443427214.db2.gz OKVHXWISZRFGEQ-QWRGUYRKSA-N 0 3 340.355 1.376 20 5 EDBDHN CN1CCN(C(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000282987784 443488102 /nfs/dbraw/zinc/48/81/02/443488102.db2.gz DUOVGMYKCVNJAO-UHFFFAOYSA-N 0 3 346.431 1.723 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272219140 443558994 /nfs/dbraw/zinc/55/89/94/443558994.db2.gz KDPYWGISTVGEEA-JTQLQIEISA-N 0 3 335.389 1.814 20 5 EDBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286184020 443664136 /nfs/dbraw/zinc/66/41/36/443664136.db2.gz VBWTZMCHIGZOFM-RISCZKNCSA-N 0 3 329.360 1.568 20 5 EDBDHN CC(C)CN(Cc1cnn(C)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459595094 320348819 /nfs/dbraw/zinc/34/88/19/320348819.db2.gz QSSPNZVMHSIJEZ-OAHLLOKOSA-N 0 3 336.396 1.044 20 5 EDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000298495963 443784068 /nfs/dbraw/zinc/78/40/68/443784068.db2.gz OOXKSCDKSYGYCI-OCCSQVGLSA-N 0 3 339.417 1.808 20 5 EDBDHN CN1CCO[C@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284956994 443798173 /nfs/dbraw/zinc/79/81/73/443798173.db2.gz XEBZTTAQRTXZND-SJORKVTESA-N 0 3 335.404 1.769 20 5 EDBDHN CCNC(=O)C[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000284985988 443808851 /nfs/dbraw/zinc/80/88/51/443808851.db2.gz YFGPXXQLJHYUPD-CYBMUJFWSA-N 0 3 336.392 1.137 20 5 EDBDHN C[C@@H](C[S@](C)=O)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299172476 443974762 /nfs/dbraw/zinc/97/47/62/443974762.db2.gz YGUGRPJQYDTMMJ-SAHAZLINSA-N 0 3 327.406 1.622 20 5 EDBDHN C[C@@]1(C[C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O ZINC000289271793 444092575 /nfs/dbraw/zinc/09/25/75/444092575.db2.gz GJHUOFMMGWBYFA-BBRMVZONSA-N 0 3 332.360 1.547 20 5 EDBDHN CCOc1ccc([C@H](C)NCC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000571669344 321396003 /nfs/dbraw/zinc/39/60/03/321396003.db2.gz HTKABMDJMVXAKX-LBPRGKRZSA-N 0 3 336.392 1.076 20 5 EDBDHN CCN1CCCC[C@H]1CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301242356 444157353 /nfs/dbraw/zinc/15/73/53/444157353.db2.gz KCFVDJQVSLJEKA-LBPRGKRZSA-N 0 3 331.376 1.889 20 5 EDBDHN CN1C(=O)N[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000285941499 444159228 /nfs/dbraw/zinc/15/92/28/444159228.db2.gz MFRVYGNHIWVNGS-OLZOCXBDSA-N 0 3 347.375 1.021 20 5 EDBDHN CN(C)C[C@H]1CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331166129 444427037 /nfs/dbraw/zinc/42/70/37/444427037.db2.gz YEMMXPUCSUWZRH-SNVBAGLBSA-N 0 3 327.331 1.968 20 5 EDBDHN CN1CCO[C@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342150904 444535733 /nfs/dbraw/zinc/53/57/33/444535733.db2.gz JMAFNTJEPNCJRZ-CVEARBPZSA-N 0 3 348.403 1.328 20 5 EDBDHN CN(c1ncnc2sc([N+](=O)[O-])cc21)C1CCN(CCO)CC1 ZINC000342240497 444582412 /nfs/dbraw/zinc/58/24/12/444582412.db2.gz FLIKAJJHPBLAIH-UHFFFAOYSA-N 0 3 337.405 1.492 20 5 EDBDHN COC(=O)CN(C)C(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338362890 444656420 /nfs/dbraw/zinc/65/64/20/444656420.db2.gz QMRPZVLLTKGGES-UHFFFAOYSA-N 0 3 337.376 1.091 20 5 EDBDHN CS[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000342539611 444736915 /nfs/dbraw/zinc/73/69/15/444736915.db2.gz GEPXMJDMJFJEFZ-LSDHHAIUSA-N 0 3 325.434 1.951 20 5 EDBDHN O=C1[C@H](N2C[C@@H]3CC[C@H](O)[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344048895 444749523 /nfs/dbraw/zinc/74/95/23/444749523.db2.gz ZGJDMUGAIOONMU-KSYCFECVSA-N 0 3 331.372 1.403 20 5 EDBDHN COC1CCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000341329506 444781136 /nfs/dbraw/zinc/78/11/36/444781136.db2.gz PRUOPJUNBOIKEM-UHFFFAOYSA-N 0 3 338.408 1.553 20 5 EDBDHN C[C@H]1C[C@@H](CO)CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000344126344 444795025 /nfs/dbraw/zinc/79/50/25/444795025.db2.gz HFPVLOBWDLHOMQ-STQMWFEESA-N 0 3 349.387 1.986 20 5 EDBDHN O=C(CCN1CCC[C@H]1Cn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000344357935 444916893 /nfs/dbraw/zinc/91/68/93/444916893.db2.gz VEFBBAJCQHAEON-ZDUSSCGKSA-N 0 3 344.375 1.680 20 5 EDBDHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000349124927 445515759 /nfs/dbraw/zinc/51/57/59/445515759.db2.gz JIHVHSSPVFVXJZ-CQSZACIVSA-N 0 3 343.387 1.912 20 5 EDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2ccncc2OC)CC1 ZINC000360256117 445660087 /nfs/dbraw/zinc/66/00/87/445660087.db2.gz DZCFJYQTKQXSFV-UHFFFAOYSA-N 0 3 346.391 1.850 20 5 EDBDHN COc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366196119 446077554 /nfs/dbraw/zinc/07/75/54/446077554.db2.gz PMPSUBOMYJLACW-CQSZACIVSA-N 0 3 349.387 1.587 20 5 EDBDHN COc1cc(C[NH2+]C[C@H]2CCn3ccnc3C2)c([N+](=O)[O-])cc1[O-] ZINC000369346939 446089457 /nfs/dbraw/zinc/08/94/57/446089457.db2.gz DIEOQEIEZIOQKC-NSHDSACASA-N 0 3 332.360 1.858 20 5 EDBDHN CN1CC[C@@]2(CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000366259552 446111834 /nfs/dbraw/zinc/11/18/34/446111834.db2.gz BWWZZURBDZMJOX-QGZVFWFLSA-N 0 3 332.404 1.875 20 5 EDBDHN O=[N+]([O-])c1cnn(CCNCc2ccc(Cl)cc2-n2cncn2)c1 ZINC000354409817 446185456 /nfs/dbraw/zinc/18/54/56/446185456.db2.gz LPUYJTNSFZVOPX-UHFFFAOYSA-N 0 3 347.766 1.815 20 5 EDBDHN CN(C)C(=O)[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411151483 446410403 /nfs/dbraw/zinc/41/04/03/446410403.db2.gz BWIGNNAVUNNJHE-AWEZNQCLSA-N 0 3 334.376 1.476 20 5 EDBDHN COCCNCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423317384 446486141 /nfs/dbraw/zinc/48/61/41/446486141.db2.gz AXLDZIFSSFZQRT-HNNXBMFYSA-N 0 3 333.392 1.243 20 5 EDBDHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000370969783 446547459 /nfs/dbraw/zinc/54/74/59/446547459.db2.gz TXRDGXVITGQKCH-CABCVRRESA-N 0 3 346.387 1.619 20 5 EDBDHN C[C@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423706205 446651088 /nfs/dbraw/zinc/65/10/88/446651088.db2.gz QFMXGKZXPFIGFE-OCCSQVGLSA-N 0 3 348.403 1.106 20 5 EDBDHN COC(=O)c1cc(C)nc(N2CC[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000375232211 446659203 /nfs/dbraw/zinc/65/92/03/446659203.db2.gz DALYDCBPHUSQKR-WCQYABFASA-N 0 3 334.376 1.615 20 5 EDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000375187412 446631519 /nfs/dbraw/zinc/63/15/19/446631519.db2.gz NKHRAKNCYHYOGA-GFCCVEGCSA-N 0 3 339.417 1.890 20 5 EDBDHN C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000418783237 446700210 /nfs/dbraw/zinc/70/02/10/446700210.db2.gz OLJKVFHJNQQMIP-BXUZGUMPSA-N 0 3 334.376 1.112 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411932498 446744283 /nfs/dbraw/zinc/74/42/83/446744283.db2.gz FVCVBGJPRSYXJG-HZPDHXFCSA-N 0 3 329.356 1.564 20 5 EDBDHN C[N@@H+]1C[C@@H]2CN(C(=O)c3n[n-]cc3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000371301067 446755257 /nfs/dbraw/zinc/75/52/57/446755257.db2.gz DAGLCBSPNTVDEZ-DVOMOZLQSA-N 0 3 341.371 1.693 20 5 EDBDHN C[N@H+]1C[C@@H]2CN(C(=O)c3n[n-]cc3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000371301067 446755264 /nfs/dbraw/zinc/75/52/64/446755264.db2.gz DAGLCBSPNTVDEZ-DVOMOZLQSA-N 0 3 341.371 1.693 20 5 EDBDHN C[C@H](N[C@H](CO)[C@@H]1CCCOC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411993706 446779216 /nfs/dbraw/zinc/77/92/16/446779216.db2.gz LXZDCSOCQRASGC-YWPYICTPSA-N 0 3 337.376 1.299 20 5 EDBDHN C[C@H]1[C@H](CO)CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000412067539 446828941 /nfs/dbraw/zinc/82/89/41/446828941.db2.gz DTXSBARSWLRTPT-STQMWFEESA-N 0 3 349.387 1.986 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](O)CC12CCC2 ZINC000420988899 446967715 /nfs/dbraw/zinc/96/77/15/446967715.db2.gz BDQFZRCFKAZXHQ-UONOGXRCSA-N 0 3 336.388 1.714 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@]12CCOC2 ZINC000421019837 446989882 /nfs/dbraw/zinc/98/98/82/446989882.db2.gz MVSYOCWKEQKZJY-INIZCTEOSA-N 0 3 335.360 1.797 20 5 EDBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421766425 447243463 /nfs/dbraw/zinc/24/34/63/447243463.db2.gz FELXGBMXJQMVJX-UHFFFAOYSA-N 0 3 334.420 1.579 20 5 EDBDHN Cc1nc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450406452 447481374 /nfs/dbraw/zinc/48/13/74/447481374.db2.gz HJJJOVPYUWQMOS-LSDHHAIUSA-N 0 3 343.387 1.741 20 5 EDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(N(C)C)CC1 ZINC000416300148 447561092 /nfs/dbraw/zinc/56/10/92/447561092.db2.gz HXRVTCPGRSWKOG-LLVKDONJSA-N 0 3 338.412 1.038 20 5 EDBDHN CN1CCC[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000451871717 447770195 /nfs/dbraw/zinc/77/01/95/447770195.db2.gz SGQAQEAISWWCAT-HOCLYGCPSA-N 0 3 345.403 1.713 20 5 EDBDHN CC1(C)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000570737800 448058198 /nfs/dbraw/zinc/05/81/98/448058198.db2.gz RNDPUZCOIZRENP-UHFFFAOYSA-N 0 3 347.419 1.370 20 5 EDBDHN CSCc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000582416495 448231947 /nfs/dbraw/zinc/23/19/47/448231947.db2.gz YAJQDKLKALXZOO-HNNXBMFYSA-N 0 3 336.417 1.805 20 5 EDBDHN CNc1nccc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000561182072 448233828 /nfs/dbraw/zinc/23/38/28/448233828.db2.gz HGQHYNRSGDTVQW-FRRDWIJNSA-N 0 3 349.435 2.128 20 5 EDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492651581 448243872 /nfs/dbraw/zinc/24/38/72/448243872.db2.gz UMIDKJWNDYIFKD-IDTUSYRASA-N 0 3 346.431 1.750 20 5 EDBDHN CN1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000591352730 448336842 /nfs/dbraw/zinc/33/68/42/448336842.db2.gz AANHUZLJEMJGKM-MRXNPFEDSA-N 0 3 349.435 1.202 20 5 EDBDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533864289 448426635 /nfs/dbraw/zinc/42/66/35/448426635.db2.gz PHYJIEGIEFIJMI-ZDUSSCGKSA-N 0 3 330.388 1.899 20 5 EDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CNCCC1(F)F ZINC000591671810 448442384 /nfs/dbraw/zinc/44/23/84/448442384.db2.gz LILYTKNBGBKKMT-JTQLQIEISA-N 0 3 328.319 1.368 20 5 EDBDHN Cc1ccc2c(c1C)OC[C@@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591733509 448475251 /nfs/dbraw/zinc/47/52/51/448475251.db2.gz ARYJAFUUTCLUQK-HIFRSBDPSA-N 0 3 332.360 1.492 20 5 EDBDHN CNc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000574011853 448767616 /nfs/dbraw/zinc/76/76/16/448767616.db2.gz HWOJTGCYRGCIFM-CYBMUJFWSA-N 0 3 336.392 1.213 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)c2ccccc2O1 ZINC000586797819 448814071 /nfs/dbraw/zinc/81/40/71/448814071.db2.gz OZKGGTJFDHQMCT-JTQLQIEISA-N 0 3 331.332 1.287 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)[C@@H]2C1 ZINC000520399129 448890812 /nfs/dbraw/zinc/89/08/12/448890812.db2.gz SKOIKIDQTGANHL-SMDDNHRTSA-N 0 3 347.371 1.532 20 5 EDBDHN O=C(N[C@@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000588870304 448943244 /nfs/dbraw/zinc/94/32/44/448943244.db2.gz XSDCDSBVIVKPMJ-GFCCVEGCSA-N 0 3 344.371 1.330 20 5 EDBDHN CN1C[C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)[C@H](c2ccccc2)C1 ZINC000592882334 449035313 /nfs/dbraw/zinc/03/53/13/449035313.db2.gz QYMQWDFCYZHGAE-KGLIPLIRSA-N 0 3 343.387 1.404 20 5 EDBDHN CN1C[C@@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590012331 449096739 /nfs/dbraw/zinc/09/67/39/449096739.db2.gz RDVYURBWYKIDIO-IINYFYTJSA-N 0 3 338.795 1.823 20 5 EDBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599938492 449116955 /nfs/dbraw/zinc/11/69/55/449116955.db2.gz CAIHGXSLXYTWNH-WCXIOVBPSA-N 0 3 345.399 1.366 20 5 EDBDHN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599939716 449118066 /nfs/dbraw/zinc/11/80/66/449118066.db2.gz YIFUAYLVDVPABM-NEPJUHHUSA-N 0 3 344.371 1.357 20 5 EDBDHN CCN1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000603929516 449161704 /nfs/dbraw/zinc/16/17/04/449161704.db2.gz PEDWRIQLXPOMRD-UHFFFAOYSA-N 0 3 328.394 1.138 20 5 EDBDHN CN1C[C@@H]2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)[C@@H]2C1 ZINC000590442960 449164067 /nfs/dbraw/zinc/16/40/67/449164067.db2.gz CHIMCFXHTSTXJA-BLLLJJGKSA-N 0 3 341.371 1.557 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000590447620 449168572 /nfs/dbraw/zinc/16/85/72/449168572.db2.gz ZLQWVRMNQPXSLQ-BONVTDFDSA-N 0 3 342.355 1.625 20 5 EDBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN(C)C ZINC000590369719 449138784 /nfs/dbraw/zinc/13/87/84/449138784.db2.gz LEYBVSNQIXXAEE-LLVKDONJSA-N 0 3 341.433 1.748 20 5 EDBDHN Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590399904 449146940 /nfs/dbraw/zinc/14/69/40/449146940.db2.gz QBWXHJYWRQMMNP-HOCLYGCPSA-N 0 3 333.388 1.838 20 5 EDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000590399213 449147163 /nfs/dbraw/zinc/14/71/63/449147163.db2.gz JBWJYVRTEVVKDJ-IRXDYDNUSA-N 0 3 347.415 1.849 20 5 EDBDHN CN1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000590399911 449147733 /nfs/dbraw/zinc/14/77/33/449147733.db2.gz MPXZDDMZIZWVOD-UHFFFAOYSA-N 0 3 336.367 1.053 20 5 EDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000590402389 449148859 /nfs/dbraw/zinc/14/88/59/449148859.db2.gz SSYROQZMCXOKTP-RYUDHWBXSA-N 0 3 325.390 1.592 20 5 EDBDHN Cc1ccc(CN2CC[C@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000601879017 449202433 /nfs/dbraw/zinc/20/24/33/449202433.db2.gz FKFYLELMOOFMBV-HNNXBMFYSA-N 0 3 343.387 1.490 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000590589902 449205037 /nfs/dbraw/zinc/20/50/37/449205037.db2.gz SKPYWRJGTXVDBF-VXGBXAGGSA-N 0 3 327.406 1.616 20 5 EDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611513814 449317180 /nfs/dbraw/zinc/31/71/80/449317180.db2.gz FPSPGFXYZVIVMT-LBPRGKRZSA-N 0 3 333.344 1.538 20 5 EDBDHN CCCN1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000598342300 449357195 /nfs/dbraw/zinc/35/71/95/449357195.db2.gz LZGKZJLNYGQWPN-GFCCVEGCSA-N 0 3 337.376 1.583 20 5 EDBDHN CN(C)CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596166716 449392530 /nfs/dbraw/zinc/39/25/30/449392530.db2.gz AVVQSHFTAMPEIV-UHFFFAOYSA-N 0 3 343.387 1.657 20 5 EDBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000596244067 449435683 /nfs/dbraw/zinc/43/56/83/449435683.db2.gz OJZXPYPVENGFFV-ZDUSSCGKSA-N 0 3 334.351 2.130 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000600698740 449499464 /nfs/dbraw/zinc/49/94/64/449499464.db2.gz ZTIAXSLBGFWTJO-LBPRGKRZSA-N 0 3 344.371 1.732 20 5 EDBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000598736609 449571394 /nfs/dbraw/zinc/57/13/94/449571394.db2.gz DADUOWPPRRQAPM-GFCCVEGCSA-N 0 3 331.332 1.137 20 5 EDBDHN COCCN1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601016086 449655332 /nfs/dbraw/zinc/65/53/32/449655332.db2.gz TWOGUNNDAPCTBS-UHFFFAOYSA-N 0 3 325.340 1.575 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCO[C@H]1CC1(F)F ZINC000594716851 449645313 /nfs/dbraw/zinc/64/53/13/449645313.db2.gz XXLXQBBHYZNUBY-GWCFXTLKSA-N 0 3 332.303 1.348 20 5 EDBDHN C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000601165451 449728016 /nfs/dbraw/zinc/72/80/16/449728016.db2.gz OZNSMDMOXLDNAQ-GFCCVEGCSA-N 0 3 338.383 1.347 20 5 EDBDHN C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599101798 449733276 /nfs/dbraw/zinc/73/32/76/449733276.db2.gz BXISBFGRHFLUSB-PSASIEDQSA-N 0 3 333.797 1.667 20 5 EDBDHN COC(=O)C1CCN(CCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601104681 449692454 /nfs/dbraw/zinc/69/24/54/449692454.db2.gz CQOYTVPJPVKLOK-UHFFFAOYSA-N 0 3 340.355 1.816 20 5 EDBDHN CN(C)CCn1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000601203122 449748549 /nfs/dbraw/zinc/74/85/49/449748549.db2.gz CFQIICWUBNFVGO-UHFFFAOYSA-N 0 3 329.360 1.556 20 5 EDBDHN CN1CC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599126224 449750269 /nfs/dbraw/zinc/75/02/69/449750269.db2.gz YRTKDAFAWXAGBD-LLVKDONJSA-N 0 3 347.350 1.601 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(=O)N(C)C(C)C)CC1 ZINC000602762106 449788880 /nfs/dbraw/zinc/78/88/80/449788880.db2.gz HMFSWZNPBJIFLI-UHFFFAOYSA-N 0 3 337.424 1.679 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](n2ccnn2)CC1 ZINC000602892014 449899218 /nfs/dbraw/zinc/89/92/18/449899218.db2.gz LEGBSVNFUXFMKH-CYBMUJFWSA-N 0 3 332.364 1.075 20 5 EDBDHN Cc1cc(S(=O)(=O)N[C@@H]2CNCC[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000595107981 449872918 /nfs/dbraw/zinc/87/29/18/449872918.db2.gz NUOZXABBUCMLQK-JOYOIKCWSA-N 0 3 327.406 1.488 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)CC3(O)CCC3)C2)nc1 ZINC000599326228 449894319 /nfs/dbraw/zinc/89/43/19/449894319.db2.gz TYJBBHXONWMJGI-TZMCWYRMSA-N 0 3 336.392 1.142 20 5 EDBDHN CN(C)CCCS(=O)(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601391348 449906767 /nfs/dbraw/zinc/90/67/67/449906767.db2.gz PNHDNPVJBMUTNM-UHFFFAOYSA-N 0 3 349.840 1.662 20 5 EDBDHN Cc1cc(S(=O)(=O)NCC2(N(C)C)CCC2)c([N+](=O)[O-])s1 ZINC000601399015 449914902 /nfs/dbraw/zinc/91/49/02/449914902.db2.gz KEKCLYQEVATUHV-UHFFFAOYSA-N 0 3 333.435 1.727 20 5 EDBDHN C[C@@H](C(=O)N[C@@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000603051364 450035962 /nfs/dbraw/zinc/03/59/62/450035962.db2.gz BHZJPYRVSLCDNJ-VXGBXAGGSA-N 0 3 339.367 1.410 20 5 EDBDHN COc1ccc(CN2CCN([C@@H]3CCCN(C)C3)CC2)cc1[N+](=O)[O-] ZINC000609672751 450081969 /nfs/dbraw/zinc/08/19/69/450081969.db2.gz RAVCIOYPSKUOGC-MRXNPFEDSA-N 0 3 348.447 1.815 20 5 EDBDHN CC[C@H](CN1CCCC1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609851230 450106603 /nfs/dbraw/zinc/10/66/03/450106603.db2.gz XUCRFKYESBFTSE-CQSZACIVSA-N 0 3 348.403 1.315 20 5 EDBDHN CN(C)C[C@H](CO)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597652451 450171725 /nfs/dbraw/zinc/17/17/25/450171725.db2.gz BXHGEKWUAULBRT-SNVBAGLBSA-N 0 3 346.181 1.010 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCCN(C)C3)CC2)c1 ZINC000610278427 450179382 /nfs/dbraw/zinc/17/93/82/450179382.db2.gz FHYVMXGZCUAZKQ-CQSZACIVSA-N 0 3 334.420 1.820 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000610336429 450194868 /nfs/dbraw/zinc/19/48/68/450194868.db2.gz AAOHJRGUOZKLIG-DLBZAZTESA-N 0 3 346.387 1.616 20 5 EDBDHN O=C(CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1)NC1CCCC1 ZINC000610485011 450238608 /nfs/dbraw/zinc/23/86/08/450238608.db2.gz LKUNTUBMSFFINV-UHFFFAOYSA-N 0 3 349.435 1.952 20 5 EDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000619475637 450484105 /nfs/dbraw/zinc/48/41/05/450484105.db2.gz WMBBZERIBKRGEP-AWEZNQCLSA-N 0 3 337.424 1.811 20 5 EDBDHN CC(C)(C)[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(N)=O ZINC000129057419 526637130 /nfs/dbraw/zinc/63/71/30/526637130.db2.gz WQSKRNKVIWGLTP-ZDUSSCGKSA-N 0 3 340.355 1.552 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000353067495 536476781 /nfs/dbraw/zinc/47/67/81/536476781.db2.gz BTVAODDKTJWCEX-INIZCTEOSA-N 0 3 340.376 1.643 20 5 EDBDHN COc1cc(CN(C)C[C@H]2C[C@@H](OC)CN2C)c([N+](=O)[O-])cc1F ZINC000345144550 536747119 /nfs/dbraw/zinc/74/71/19/536747119.db2.gz FXBGXXIABVNZMS-CHWSQXEVSA-N 0 3 341.383 1.893 20 5 EDBDHN CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C2CC2)C1 ZINC000732034412 578687806 /nfs/dbraw/zinc/68/78/06/578687806.db2.gz FHZOEDQCOLDNJA-HNNXBMFYSA-N 0 3 343.387 1.640 20 5 EDBDHN CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CN2CCC1CC2 ZINC000732159518 578695015 /nfs/dbraw/zinc/69/50/15/578695015.db2.gz HXCPAXHSHQNPIP-HNNXBMFYSA-N 0 3 337.351 1.665 20 5 EDBDHN CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735892367 578936715 /nfs/dbraw/zinc/93/67/15/578936715.db2.gz GRSBMTINPMJXPU-UHFFFAOYSA-N 0 3 331.380 1.742 20 5 EDBDHN CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735892367 578936716 /nfs/dbraw/zinc/93/67/16/578936716.db2.gz GRSBMTINPMJXPU-UHFFFAOYSA-N 0 3 331.380 1.742 20 5 EDBDHN C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736859883 579027911 /nfs/dbraw/zinc/02/79/11/579027911.db2.gz JJZBTZLSHFYRCD-CHWSQXEVSA-N 0 3 343.391 1.838 20 5 EDBDHN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736859883 579027912 /nfs/dbraw/zinc/02/79/12/579027912.db2.gz JJZBTZLSHFYRCD-CHWSQXEVSA-N 0 3 343.391 1.838 20 5 EDBDHN C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736859883 579027913 /nfs/dbraw/zinc/02/79/13/579027913.db2.gz JJZBTZLSHFYRCD-CHWSQXEVSA-N 0 3 343.391 1.838 20 5 EDBDHN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736859883 579027914 /nfs/dbraw/zinc/02/79/14/579027914.db2.gz JJZBTZLSHFYRCD-CHWSQXEVSA-N 0 3 343.391 1.838 20 5 EDBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCN(C2CC2)C1 ZINC000746883050 579614416 /nfs/dbraw/zinc/61/44/16/579614416.db2.gz PMNPNEVKMLIINW-GFCCVEGCSA-N 0 3 329.360 1.297 20 5 EDBDHN CNC(=O)c1ccc(CN(CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000747958791 579664612 /nfs/dbraw/zinc/66/46/12/579664612.db2.gz DTEILXLORNBCOA-UHFFFAOYSA-N 0 3 343.387 1.816 20 5 EDBDHN C/C(=C\C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000751746313 579820105 /nfs/dbraw/zinc/82/01/05/579820105.db2.gz RSTYCIAUIKYZDS-DKTLHIEFSA-N 0 3 345.399 1.978 20 5 EDBDHN CN(C)C1(CN(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000782513146 580576631 /nfs/dbraw/zinc/57/66/31/580576631.db2.gz WXABVDXXHAYUFV-UHFFFAOYSA-N 0 3 333.435 1.761 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000893118918 590670312 /nfs/dbraw/zinc/67/03/12/590670312.db2.gz NHWCSGFQODMHLT-AWEZNQCLSA-N 0 3 331.376 1.507 20 5 EDBDHN C[C@@H]1[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCN1C ZINC000895740923 591262967 /nfs/dbraw/zinc/26/29/67/591262967.db2.gz USLOCWMESZZQJQ-ZYHUDNBSSA-N 0 3 342.421 1.350 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000894429518 591310363 /nfs/dbraw/zinc/31/03/63/591310363.db2.gz IEXWXLZIECKIEJ-NWDGAFQWSA-N 0 3 332.335 1.537 20 5 EDBDHN CC(C)N1CCN(CCC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000900331932 591991748 /nfs/dbraw/zinc/99/17/48/591991748.db2.gz QMZLLJPCCFYYTJ-UHFFFAOYSA-N 0 3 348.447 1.670 20 5 EDBDHN CN1CCC[C@](O)(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000900789740 592124426 /nfs/dbraw/zinc/12/44/26/592124426.db2.gz KLHWERIQWSCHPA-SFHVURJKSA-N 0 3 349.431 1.881 20 5 EDBDHN CO[C@H]1C[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905424114 592531444 /nfs/dbraw/zinc/53/14/44/592531444.db2.gz XXSMBYGPFPQNAD-AULYBMBSSA-N 0 3 328.390 1.383 20 5 EDBDHN CN(C[C@H]1CCN(C)C1)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906581339 592857723 /nfs/dbraw/zinc/85/77/23/592857723.db2.gz URCQAXQIWAPTGI-LBPRGKRZSA-N 0 3 349.387 1.780 20 5 EDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCO)C1CCN(C)CC1 ZINC000911941303 593040376 /nfs/dbraw/zinc/04/03/76/593040376.db2.gz LYEMTFKTAZYWGY-BUHFOSPRSA-N 0 3 347.415 1.913 20 5 EDBDHN CS[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000867020294 593182497 /nfs/dbraw/zinc/18/24/97/593182497.db2.gz GXNGCKDQOWXMSP-STQMWFEESA-N 0 3 341.408 1.780 20 5 EDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000808160451 593230938 /nfs/dbraw/zinc/23/09/38/593230938.db2.gz MFBQULVWHWCUQB-NEBFAKBJSA-N 0 3 331.372 1.276 20 5 EDBDHN CN1CC[C@@H]2CN(Cn3cc(Br)c([N+](=O)[O-])n3)C[C@@H]21 ZINC000840133933 593250773 /nfs/dbraw/zinc/25/07/73/593250773.db2.gz VMNMIVLVMAEAPP-SCZZXKLOSA-N 0 3 330.186 1.147 20 5 EDBDHN COC(=O)[C@H]1CN(C)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839630781 593355653 /nfs/dbraw/zinc/35/56/53/593355653.db2.gz NZDXBPLEJSUJQD-LBPRGKRZSA-N 0 3 341.795 1.785 20 5 EDBDHN C[C@H](C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000761665940 593420254 /nfs/dbraw/zinc/42/02/54/593420254.db2.gz VYSGBYMLYPTPIO-MAZHCROVSA-N 0 3 333.388 1.678 20 5 EDBDHN C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CN1C1CC1 ZINC000811811693 593483360 /nfs/dbraw/zinc/48/33/60/593483360.db2.gz DEJMIVYBHGSPCO-NXEZZACHSA-N 0 3 332.360 1.963 20 5 EDBDHN CC(COC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[N+](=O)[O-] ZINC000813099794 593517498 /nfs/dbraw/zinc/51/74/98/593517498.db2.gz CYJHZPKPNCWGHO-WDEREUQCSA-N 0 3 344.389 1.249 20 5 EDBDHN CCCn1c2ccccc2n(CCC(=O)OCC(C)[N+](=O)[O-])c1=O ZINC000813105812 593517754 /nfs/dbraw/zinc/51/77/54/593517754.db2.gz UWFXSVFTLREWMM-LBPRGKRZSA-N 0 3 335.360 1.812 20 5 EDBDHN CC(COC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[N+](=O)[O-] ZINC000813109296 593518336 /nfs/dbraw/zinc/51/83/36/593518336.db2.gz HRQVRHGSHFFFIS-SNVBAGLBSA-N 0 3 339.304 1.253 20 5 EDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)[N+](=O)[O-] ZINC000813115752 593519095 /nfs/dbraw/zinc/51/90/95/593519095.db2.gz ZDSKHKFLIDUPMZ-JQWIXIFHSA-N 0 3 326.374 1.490 20 5 EDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)[N+](=O)[O-] ZINC000813115754 593519116 /nfs/dbraw/zinc/51/91/16/593519116.db2.gz ZDSKHKFLIDUPMZ-ZYHUDNBSSA-N 0 3 326.374 1.490 20 5 EDBDHN CS(=O)(=O)[C@@H]1CCC[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000816562006 593531563 /nfs/dbraw/zinc/53/15/63/593531563.db2.gz VLKJQKQFCYWXFZ-CFVMTHIKSA-N 0 3 342.417 1.574 20 5 EDBDHN CN(C[C@H]1CCCN1C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000817373355 593597511 /nfs/dbraw/zinc/59/75/11/593597511.db2.gz NGVQBKHVKCPNBU-OAHLLOKOSA-N 0 3 330.392 1.837 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCOc1cccnc1 ZINC000819067973 593737181 /nfs/dbraw/zinc/73/71/81/593737181.db2.gz CVDSXEMLKQUSLP-ZDUSSCGKSA-N 0 3 333.344 1.398 20 5 EDBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@@H+]1C1CC1 ZINC000820667710 593858395 /nfs/dbraw/zinc/85/83/95/593858395.db2.gz NOVMFMSTKCNTOP-BDAKNGLRSA-N 0 3 330.352 1.207 20 5 EDBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@H+]1C1CC1 ZINC000820667710 593858397 /nfs/dbraw/zinc/85/83/97/593858397.db2.gz NOVMFMSTKCNTOP-BDAKNGLRSA-N 0 3 330.352 1.207 20 5 EDBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@@H+]1C1CC1 ZINC000820667710 593858399 /nfs/dbraw/zinc/85/83/99/593858399.db2.gz NOVMFMSTKCNTOP-BDAKNGLRSA-N 0 3 330.352 1.207 20 5 EDBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@H+]1C1CC1 ZINC000820667710 593858401 /nfs/dbraw/zinc/85/84/01/593858401.db2.gz NOVMFMSTKCNTOP-BDAKNGLRSA-N 0 3 330.352 1.207 20 5 EDBDHN CC1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820722345 593871789 /nfs/dbraw/zinc/87/17/89/593871789.db2.gz HXJUSDLJEMQYFF-UHFFFAOYSA-N 0 3 346.395 1.704 20 5 EDBDHN CC1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000820722345 593871791 /nfs/dbraw/zinc/87/17/91/593871791.db2.gz HXJUSDLJEMQYFF-UHFFFAOYSA-N 0 3 346.395 1.704 20 5 EDBDHN Nc1ccc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000823997671 593904201 /nfs/dbraw/zinc/90/42/01/593904201.db2.gz GNLOEUSSIUXWMN-NEPJUHHUSA-N 0 3 335.364 1.162 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000821080463 593960994 /nfs/dbraw/zinc/96/09/94/593960994.db2.gz GEXWGUYKDPZQSQ-AWEZNQCLSA-N 0 3 335.404 1.788 20 5 EDBDHN C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824606523 594046582 /nfs/dbraw/zinc/04/65/82/594046582.db2.gz PTGRAIGOAVBEBT-JTQLQIEISA-N 0 3 328.336 1.322 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(-c2nnn[n-]2)c1 ZINC000823639505 594223912 /nfs/dbraw/zinc/22/39/12/594223912.db2.gz BJGVHHNULKAQPY-GFCCVEGCSA-N 0 3 327.348 1.225 20 5 EDBDHN CN1C(=O)NCC12CCN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000823655979 594225070 /nfs/dbraw/zinc/22/50/70/594225070.db2.gz VQPCNOYZZWQOKO-UHFFFAOYSA-N 0 3 348.403 1.853 20 5 EDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000826226567 594386952 /nfs/dbraw/zinc/38/69/52/594386952.db2.gz BRDGTIXFRJRTFJ-QWHCGFSZSA-N 0 3 349.420 1.257 20 5 EDBDHN COc1cc(F)c([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000826677216 594553252 /nfs/dbraw/zinc/55/32/52/594553252.db2.gz KHHAAKJKCMBODD-JTQLQIEISA-N 0 3 340.355 1.299 20 5 EDBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@@H](C)CN(C)C ZINC000832534849 594756990 /nfs/dbraw/zinc/75/69/90/594756990.db2.gz PUQJIKGSTVEAHP-QMMMGPOBSA-N 0 3 326.328 1.372 20 5 EDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC1(O)CCN(C)CC1 ZINC000843811870 595192306 /nfs/dbraw/zinc/19/23/06/595192306.db2.gz JKUZWSVWBGOSFC-UHFFFAOYSA-N 0 3 325.340 1.229 20 5 EDBDHN C[C@@H](OC(=O)C1CCCN(C)C1=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000837953766 595238617 /nfs/dbraw/zinc/23/86/17/595238617.db2.gz MHPUXERPTSYPSU-GHMZBOCLSA-N 0 3 349.343 1.333 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000843117598 595290645 /nfs/dbraw/zinc/29/06/45/595290645.db2.gz QZFSBENLLAPGGC-UXLLHSPISA-N 0 3 330.340 1.712 20 5 EDBDHN NC[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000848438908 595379711 /nfs/dbraw/zinc/37/97/11/595379711.db2.gz YQESFWMINJGQLE-SECBINFHSA-N 0 3 343.664 1.936 20 5 EDBDHN C[C@@H](CN(C)CCn1ccc([N+](=O)[O-])n1)NC(=O)OC(C)(C)C ZINC000860093489 595575609 /nfs/dbraw/zinc/57/56/09/595575609.db2.gz CCTVLYAZNNPEIC-NSHDSACASA-N 0 3 327.385 1.636 20 5 EDBDHN O=C([N-][C@@H]1CCCC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764938 595599727 /nfs/dbraw/zinc/59/97/27/595599727.db2.gz FMKHNCCZIBNQSG-SNVBAGLBSA-N 0 3 329.303 1.825 20 5 EDBDHN CC([C@H](OC(=O)[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1F)[N+](=O)[O-] ZINC000860855129 595818558 /nfs/dbraw/zinc/81/85/58/595818558.db2.gz RSKVQRQFMJWYTO-MHNYQROPSA-N 0 3 340.307 1.108 20 5 EDBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000861345635 595952191 /nfs/dbraw/zinc/95/21/91/595952191.db2.gz XKJVXHUOESMXGJ-SWLSCSKDSA-N 0 3 340.380 1.142 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1Cl ZINC000861856321 596126210 /nfs/dbraw/zinc/12/62/10/596126210.db2.gz GKRQXRFYTAGLSV-NSHDSACASA-N 0 3 341.795 1.825 20 5 EDBDHN CC[C@@H](NC[C@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1 ZINC000866555816 596250259 /nfs/dbraw/zinc/25/02/59/596250259.db2.gz OLMSMQOYWWABFT-NVXWUHKLSA-N 0 3 349.387 1.263 20 5 EDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000865485525 596587930 /nfs/dbraw/zinc/58/79/30/596587930.db2.gz RZJWNQZVFRMTMQ-DTWKUNHWSA-N 0 3 349.313 1.622 20 5 EDBDHN CC(C)(O)CN1CC[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000865996571 596751980 /nfs/dbraw/zinc/75/19/80/596751980.db2.gz KPUPPJCCFDHFIA-LBPRGKRZSA-N 0 3 330.388 1.822 20 5 EDBDHN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000881957939 597818373 /nfs/dbraw/zinc/81/83/73/597818373.db2.gz VUEQSZOUGJKLQX-CYBMUJFWSA-N 0 3 348.403 1.620 20 5 EDBDHN C[C@@H]1[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCN1C ZINC000925334800 697531572 /nfs/dbraw/zinc/53/15/72/697531572.db2.gz NPPRVXDYAPSQRU-IAQYHMDHSA-N 0 3 334.376 1.460 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000996900454 703170614 /nfs/dbraw/zinc/17/06/14/703170614.db2.gz OLBYLTUMQWDARR-ITGUQSILSA-N 0 3 347.419 1.455 20 5 EDBDHN Cc1coc(C(=O)N2CCC(NCc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000996912293 703182375 /nfs/dbraw/zinc/18/23/75/703182375.db2.gz FUPWCQQPFWVZCZ-UHFFFAOYSA-N 0 3 347.375 1.624 20 5 EDBDHN Cc1nn(C(C)C)cc1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002789607 709384007 /nfs/dbraw/zinc/38/40/07/709384007.db2.gz VROZBMONWFAUIU-HZPDHXFCSA-N 0 3 349.435 1.518 20 5 EDBDHN CN1C[C@@H](CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O ZINC000922490004 711609604 /nfs/dbraw/zinc/60/96/04/711609604.db2.gz VRRZAHIAOBMCIZ-NSHDSACASA-N 0 3 335.360 1.324 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCN1CCCC1 ZINC000175067145 231379178 /nfs/dbraw/zinc/37/91/78/231379178.db2.gz UDPZBKSEZNDGMP-UHFFFAOYSA-N 0 3 341.433 1.976 20 5 EDBDHN CN(C)c1cccc(CN(C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000090560654 282297665 /nfs/dbraw/zinc/29/76/65/282297665.db2.gz FSNUITUBHIKFAK-UHFFFAOYSA-N 0 3 330.388 1.955 20 5 EDBDHN CN(CCN(C)C1CC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186738515 529902894 /nfs/dbraw/zinc/90/28/94/529902894.db2.gz RRCRKRYHWUKGKG-UHFFFAOYSA-N 0 3 332.404 1.510 20 5 EDBDHN CN(CCOc1ccc(F)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159689496 529925595 /nfs/dbraw/zinc/92/55/95/529925595.db2.gz YLZQRARVFXZCGI-UHFFFAOYSA-N 0 3 335.335 1.906 20 5 EDBDHN CN1CCC[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000559857474 306259105 /nfs/dbraw/zinc/25/91/05/306259105.db2.gz WXQYECIUOASQHZ-LLVKDONJSA-N 0 3 346.391 1.612 20 5 EDBDHN C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC000102340988 219196229 /nfs/dbraw/zinc/19/62/29/219196229.db2.gz MLTLQFLJPXPQJP-CYBMUJFWSA-N 0 3 337.424 1.763 20 5 EDBDHN C[C@@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000068354420 215302382 /nfs/dbraw/zinc/30/23/82/215302382.db2.gz BIUYVURYZBPVDS-NSHDSACASA-N 0 3 335.360 1.385 20 5 EDBDHN Cc1c([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000183472051 235096249 /nfs/dbraw/zinc/09/62/49/235096249.db2.gz XPNKYTXEMHSMFX-AAEUAGOBSA-N 0 3 334.376 1.727 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000046946519 138118622 /nfs/dbraw/zinc/11/86/22/138118622.db2.gz CQEZDZRJDPAXQU-CQSZACIVSA-N 0 3 334.420 1.659 20 5 EDBDHN CN(C)[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000111606383 220169266 /nfs/dbraw/zinc/16/92/66/220169266.db2.gz VRJQGQOZWITPDP-NSHDSACASA-N 0 3 330.344 1.212 20 5 EDBDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415490382 304224523 /nfs/dbraw/zinc/22/45/23/304224523.db2.gz CJSKYUCEMBBBTD-SNVBAGLBSA-N 0 3 326.328 1.306 20 5 EDBDHN CCO[C@@H]1COCC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000362030302 183846613 /nfs/dbraw/zinc/84/66/13/183846613.db2.gz VXVWEDFXPHPABH-BZUAXINKSA-N 0 3 349.387 1.484 20 5 EDBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000262316704 139269476 /nfs/dbraw/zinc/26/94/76/139269476.db2.gz ZTOXPSAPDYLKSM-UHFFFAOYSA-N 0 3 345.334 1.791 20 5 EDBDHN COc1cc(CNC[C@@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])cc1OC ZINC000424192032 252157726 /nfs/dbraw/zinc/15/77/26/252157726.db2.gz RBPDIALQBRPOOZ-LLVKDONJSA-N 0 3 337.376 1.570 20 5 EDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC(=O)N(C)C1=O ZINC000424337948 252198374 /nfs/dbraw/zinc/19/83/74/252198374.db2.gz AGGGDXOHBXMDEE-MFKMUULPSA-N 0 3 348.359 1.049 20 5 EDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC(=O)N(C)C1=O ZINC000424337947 252198408 /nfs/dbraw/zinc/19/84/08/252198408.db2.gz AGGGDXOHBXMDEE-GXFFZTMASA-N 0 3 348.359 1.049 20 5 EDBDHN COCCCN1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000263734174 139356397 /nfs/dbraw/zinc/35/63/97/139356397.db2.gz DCZOZUZAIPOXKK-UHFFFAOYSA-N 0 3 336.392 1.607 20 5 EDBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@]1(O)CN2CCC1CC2 ZINC000493146072 255193142 /nfs/dbraw/zinc/19/31/42/255193142.db2.gz GSBJYECBTJBMSH-MMTGSJLXSA-N 0 3 349.362 1.320 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000495135366 255269755 /nfs/dbraw/zinc/26/97/55/255269755.db2.gz GDDWMNRSAFXHDW-ZDUSSCGKSA-N 0 3 336.396 1.232 20 5 EDBDHN CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000270984601 140213876 /nfs/dbraw/zinc/21/38/76/140213876.db2.gz DFIDAJSQJBQKHD-HUUCEWRRSA-N 0 3 337.445 1.950 20 5 EDBDHN Nc1nc(NCC2CCN(c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000271459775 140298433 /nfs/dbraw/zinc/29/84/33/140298433.db2.gz QYGBEBHQQPQEAM-UHFFFAOYSA-N 0 3 329.364 1.691 20 5 EDBDHN CCN1C[C@@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332376412 141171485 /nfs/dbraw/zinc/17/14/85/141171485.db2.gz ZNANHYKJVFZTFL-ZIAGYGMSSA-N 0 3 346.431 1.898 20 5 EDBDHN CCN1CC[C@H]2OCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339383657 142032589 /nfs/dbraw/zinc/03/25/89/142032589.db2.gz ATQPIIUDNSQDTC-NVXWUHKLSA-N 0 3 335.404 1.898 20 5 EDBDHN O=C(CCN1CCC(OCCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339829249 142170126 /nfs/dbraw/zinc/17/01/26/142170126.db2.gz PVCFBRMBEMIROA-UHFFFAOYSA-N 0 3 337.376 1.397 20 5 EDBDHN Cc1cc(N[C@H](CC(C)C)C(=O)NCCN(C)C)ncc1[N+](=O)[O-] ZINC000340078094 142258709 /nfs/dbraw/zinc/25/87/09/142258709.db2.gz KVJIQWSDAYFRAR-CYBMUJFWSA-N 0 3 337.424 1.803 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000346260969 143184577 /nfs/dbraw/zinc/18/45/77/143184577.db2.gz LOKFILMZMABHIF-FRRDWIJNSA-N 0 3 335.408 1.614 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN(C)C)cc1OC ZINC000346286398 143187150 /nfs/dbraw/zinc/18/71/50/143187150.db2.gz ZOOKBMODJSTKHC-SNVBAGLBSA-N 0 3 325.365 1.682 20 5 EDBDHN CC(C)(C)OC[C@@H](O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974941 155261671 /nfs/dbraw/zinc/26/16/71/155261671.db2.gz QQBWIFMCIZRNSN-JSGCOSHPSA-N 0 3 326.397 1.604 20 5 EDBDHN CN(C)CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000355336100 150222964 /nfs/dbraw/zinc/22/29/64/150222964.db2.gz GDWXOYNZCGAEEG-UHFFFAOYSA-N 0 3 336.392 1.089 20 5 EDBDHN COCCCN1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000363632457 153017599 /nfs/dbraw/zinc/01/75/99/153017599.db2.gz CXZWBVJZQHEQIQ-UHFFFAOYSA-N 0 3 335.404 1.708 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000364208974 153174018 /nfs/dbraw/zinc/17/40/18/153174018.db2.gz MPMSAFOKRBWRNH-ZIAGYGMSSA-N 0 3 347.350 1.192 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000364208972 153174224 /nfs/dbraw/zinc/17/42/24/153174224.db2.gz MPMSAFOKRBWRNH-KGLIPLIRSA-N 0 3 347.350 1.192 20 5 EDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000364465865 153244981 /nfs/dbraw/zinc/24/49/81/153244981.db2.gz CZCKNIAMBRAKFW-ZIAGYGMSSA-N 0 3 348.403 1.254 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000575742674 306670663 /nfs/dbraw/zinc/67/06/63/306670663.db2.gz PWJHAUIVSINVPA-ARLBYUKCSA-N 0 3 340.376 1.117 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000378447138 158176942 /nfs/dbraw/zinc/17/69/42/158176942.db2.gz ASVQGJPSFMJCHI-WFASDCNBSA-N 0 3 348.403 1.839 20 5 EDBDHN COc1cc(CN2CCN(C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000352545430 162243957 /nfs/dbraw/zinc/24/39/57/162243957.db2.gz IMAJJINYDCHCID-HNNXBMFYSA-N 0 3 335.404 1.758 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC(C)(C)CN1CCOCC1 ZINC000123808231 287391467 /nfs/dbraw/zinc/39/14/67/287391467.db2.gz UQVGPRMFMXXFQH-UHFFFAOYSA-N 0 3 325.413 1.082 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)n1 ZINC000191780581 272981400 /nfs/dbraw/zinc/98/14/00/272981400.db2.gz XTPNLPMBLCOGNL-AWEZNQCLSA-N 0 3 345.403 1.714 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1(N(C)C)CCC1 ZINC000275685709 273119740 /nfs/dbraw/zinc/11/97/40/273119740.db2.gz ZWFIPHYONJWMOF-UHFFFAOYSA-N 0 3 336.392 1.887 20 5 EDBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(C2CC2)CC1 ZINC000279160214 273284845 /nfs/dbraw/zinc/28/48/45/273284845.db2.gz BLPJCHNTBWLPOS-UHFFFAOYSA-N 0 3 343.387 1.962 20 5 EDBDHN CN1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000180176626 277165606 /nfs/dbraw/zinc/16/56/06/277165606.db2.gz YNFBDPZFJRCWIV-BBRMVZONSA-N 0 3 329.360 1.353 20 5 EDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000286569552 288036579 /nfs/dbraw/zinc/03/65/79/288036579.db2.gz DXNLXPAMLDLJMZ-DOMZBBRYSA-N 0 3 339.417 1.842 20 5 EDBDHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286818837 288096083 /nfs/dbraw/zinc/09/60/83/288096083.db2.gz QIAGDCUABQQIBH-ZDUSSCGKSA-N 0 3 344.375 1.307 20 5 EDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCO[C@@H](CN(C)C)C1 ZINC000287464375 288243616 /nfs/dbraw/zinc/24/36/16/288243616.db2.gz SEOUVHIUHGELNN-LBPRGKRZSA-N 0 3 337.376 1.457 20 5 EDBDHN O=[N+]([O-])c1c(N[C@H](CO)CN2CCCCC2)nc2sccn21 ZINC000289089253 288627518 /nfs/dbraw/zinc/62/75/18/288627518.db2.gz JONOCHUOFSQGHD-JTQLQIEISA-N 0 3 325.394 1.563 20 5 EDBDHN CCCN(CCN1CCCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291217682 289020542 /nfs/dbraw/zinc/02/05/42/289020542.db2.gz VTBGPPYGOGYXCY-UHFFFAOYSA-N 0 3 335.408 1.791 20 5 EDBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000291821345 289188719 /nfs/dbraw/zinc/18/87/19/289188719.db2.gz FCRHERLKFXMLQV-CQSZACIVSA-N 0 3 343.380 1.450 20 5 EDBDHN C[C@H]1CCNC[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420430256 304757266 /nfs/dbraw/zinc/75/72/66/304757266.db2.gz CHXWYIMIIWECID-WCQYABFASA-N 0 3 327.406 1.055 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F ZINC000420462976 304761053 /nfs/dbraw/zinc/76/10/53/304761053.db2.gz NKWNUKYZBFRWNY-SNVBAGLBSA-N 0 3 337.348 1.418 20 5 EDBDHN CN(C)CCOC1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420607343 304770561 /nfs/dbraw/zinc/77/05/61/304770561.db2.gz YVNXRBRIAMEOMJ-UHFFFAOYSA-N 0 3 336.392 1.241 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000268266965 302046369 /nfs/dbraw/zinc/04/63/69/302046369.db2.gz RWSRLGFSDZFUHW-YPMHNXCESA-N 0 3 327.406 1.474 20 5 EDBDHN Cc1sc(S(=O)(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000445730723 302880775 /nfs/dbraw/zinc/88/07/75/302880775.db2.gz DDHVFWJGEBTTSV-UHFFFAOYSA-N 0 3 333.435 1.727 20 5 EDBDHN CC(C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCC(C)CC1 ZINC000161932589 302929393 /nfs/dbraw/zinc/92/93/93/302929393.db2.gz LMXOUXVUDMYNDO-CYBMUJFWSA-N 0 3 337.424 1.815 20 5 EDBDHN Cc1cc(Cl)c(C(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000295013990 303162822 /nfs/dbraw/zinc/16/28/22/303162822.db2.gz QAJPNYKBYYBZAW-UHFFFAOYSA-N 0 3 341.795 1.743 20 5 EDBDHN CC[C@H](C)N1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000295899584 303281265 /nfs/dbraw/zinc/28/12/65/303281265.db2.gz DZMBWZHDTKVHIW-NSHDSACASA-N 0 3 342.421 1.163 20 5 EDBDHN CC(C)NS(=O)(=O)NCCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000428558922 305011704 /nfs/dbraw/zinc/01/17/04/305011704.db2.gz JCKHEAWJEQMRSG-ALCCZGGFSA-N 0 3 342.421 1.030 20 5 EDBDHN CC(C)(NC[C@@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429264442 305027157 /nfs/dbraw/zinc/02/71/57/305027157.db2.gz MOGRMJLPGBQISO-CYBMUJFWSA-N 0 3 338.404 1.976 20 5 EDBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000436726603 305166724 /nfs/dbraw/zinc/16/67/24/305166724.db2.gz WGLWHFVKFYQSGS-AWEZNQCLSA-N 0 3 343.387 1.701 20 5 EDBDHN CC[C@H]1CN(CC)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723727 305364688 /nfs/dbraw/zinc/36/46/88/305364688.db2.gz BCLNQJISTQZKPF-HOCLYGCPSA-N 0 3 337.420 1.751 20 5 EDBDHN CC(C)N1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000452099513 305382654 /nfs/dbraw/zinc/38/26/54/305382654.db2.gz CGPVRSRUEJODHL-AWEZNQCLSA-N 0 3 341.433 1.839 20 5 EDBDHN CC(C)N1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000452099514 305382669 /nfs/dbraw/zinc/38/26/69/305382669.db2.gz CGPVRSRUEJODHL-CQSZACIVSA-N 0 3 341.433 1.839 20 5 EDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1Cl ZINC000452348109 305391072 /nfs/dbraw/zinc/39/10/72/305391072.db2.gz KNKUPUYPLQLZDD-LBPRGKRZSA-N 0 3 341.795 1.825 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@@]1(C)CO ZINC000493379639 305615288 /nfs/dbraw/zinc/61/52/88/305615288.db2.gz CRBUCCZUEHEALE-ZBFHGGJFSA-N 0 3 337.376 1.683 20 5 EDBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000524151838 305814180 /nfs/dbraw/zinc/81/41/80/305814180.db2.gz CJCZAPTWMIKEKD-UHFFFAOYSA-N 0 3 335.360 1.534 20 5 EDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000045137459 440953534 /nfs/dbraw/zinc/95/35/34/440953534.db2.gz UTVMDIMSWGYSRG-UHFFFAOYSA-N 0 3 347.419 1.933 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000073534700 441322562 /nfs/dbraw/zinc/32/25/62/441322562.db2.gz GEBIZUOJXZDWPE-ZDUSSCGKSA-N 0 3 335.408 1.790 20 5 EDBDHN CN1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000048402680 441303783 /nfs/dbraw/zinc/30/37/83/441303783.db2.gz DGBIGHGWKCNOTK-UHFFFAOYSA-N 0 3 329.360 1.605 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000065756514 441482109 /nfs/dbraw/zinc/48/21/09/441482109.db2.gz ZNCSGGWYSUMTSE-UHFFFAOYSA-N 0 3 349.435 1.824 20 5 EDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000030375376 441492020 /nfs/dbraw/zinc/49/20/20/441492020.db2.gz GJYGDFGDDPJAIU-GFCCVEGCSA-N 0 3 329.422 1.912 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067148660 441611442 /nfs/dbraw/zinc/61/14/42/441611442.db2.gz AQFXHDPKBIGVMO-LLVKDONJSA-N 0 3 335.360 1.580 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3nccs3)C2)c1 ZINC000173365373 441725601 /nfs/dbraw/zinc/72/56/01/441725601.db2.gz MYIRQWOHLNXPNJ-AAEUAGOBSA-N 0 3 337.405 1.488 20 5 EDBDHN C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000173719273 441828508 /nfs/dbraw/zinc/82/85/08/441828508.db2.gz OJXLCOJJLKADQY-AWEZNQCLSA-N 0 3 334.420 1.137 20 5 EDBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000164808145 442202969 /nfs/dbraw/zinc/20/29/69/442202969.db2.gz AMVSHZNRDMFRFN-LBPRGKRZSA-N 0 3 349.343 1.741 20 5 EDBDHN COCCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000171126298 442316891 /nfs/dbraw/zinc/31/68/91/442316891.db2.gz HHPTXDMBQYZDLT-UHFFFAOYSA-N 0 3 327.406 1.887 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000156652787 442506658 /nfs/dbraw/zinc/50/66/58/442506658.db2.gz NGFYDFANJXEXMI-JSGCOSHPSA-N 0 3 343.387 1.579 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)C[NH+](C)C ZINC000193199161 442722086 /nfs/dbraw/zinc/72/20/86/442722086.db2.gz KGYPSXLYCPGZDD-UHFFFAOYSA-N 0 3 329.422 1.769 20 5 EDBDHN NC(=O)C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000182036502 442730514 /nfs/dbraw/zinc/73/05/14/442730514.db2.gz KUOZYLQVECLKRU-CQSZACIVSA-N 0 3 348.403 1.608 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2=CC[NH2+]CC2)cc1C ZINC000189295379 442914708 /nfs/dbraw/zinc/91/47/08/442914708.db2.gz XTTDLRJIWTYHPU-UHFFFAOYSA-N 0 3 325.390 1.410 20 5 EDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000268261633 442922679 /nfs/dbraw/zinc/92/26/79/442922679.db2.gz ZKSNPNSAFJNXFO-JSGCOSHPSA-N 0 3 333.388 1.963 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194702801 442939317 /nfs/dbraw/zinc/93/93/17/442939317.db2.gz BREBZBWRDJYZKD-CQSZACIVSA-N 0 3 334.420 1.659 20 5 EDBDHN CN(C)C(=O)CCN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268468449 442999544 /nfs/dbraw/zinc/99/95/44/442999544.db2.gz LYSKKPWQMNLRDZ-UHFFFAOYSA-N 0 3 334.420 1.233 20 5 EDBDHN COCCN(CCN(C)C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297606696 318771328 /nfs/dbraw/zinc/77/13/28/318771328.db2.gz NXLVLEYNOAFQKW-ZDUSSCGKSA-N 0 3 338.408 1.875 20 5 EDBDHN CNS(=O)(=O)c1ccc(N(CCN(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000185441251 443200411 /nfs/dbraw/zinc/20/04/11/443200411.db2.gz WMBXNHCYTHEVNH-UHFFFAOYSA-N 0 3 344.437 1.279 20 5 EDBDHN CCN(CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CC1 ZINC000411863194 319208166 /nfs/dbraw/zinc/20/81/66/319208166.db2.gz BSZKTWFMKUGCDK-UHFFFAOYSA-N 0 3 339.367 1.886 20 5 EDBDHN COc1cc(CN[C@H]2CNCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000415003273 319345010 /nfs/dbraw/zinc/34/50/10/319345010.db2.gz ORDKYRNIYRUFED-ZDUSSCGKSA-N 0 3 331.319 1.699 20 5 EDBDHN C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000272451649 443322639 /nfs/dbraw/zinc/32/26/39/443322639.db2.gz JVIZHUDNFWYQQE-IUODEOHRSA-N 0 3 341.433 1.349 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000282607174 443387576 /nfs/dbraw/zinc/38/75/76/443387576.db2.gz YNZBQAIUAIDIKM-CRAIPNDOSA-N 0 3 349.431 1.672 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000264620378 443349647 /nfs/dbraw/zinc/34/96/47/443349647.db2.gz NMQMVMQVDVJQRA-LBPRGKRZSA-N 0 3 343.405 1.318 20 5 EDBDHN CC[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000419172141 319566487 /nfs/dbraw/zinc/56/64/87/319566487.db2.gz UJTPRWUXOHWTDV-CABCVRRESA-N 0 3 348.403 1.502 20 5 EDBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000264634459 443355668 /nfs/dbraw/zinc/35/56/68/443355668.db2.gz DJNPWTCRCNZYLY-AWEZNQCLSA-N 0 3 349.387 1.986 20 5 EDBDHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420439203 319619935 /nfs/dbraw/zinc/61/99/35/319619935.db2.gz MILPDDPWRFTOOP-BQBZGAKWSA-N 0 3 341.311 1.628 20 5 EDBDHN CC1(C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000434775179 320003414 /nfs/dbraw/zinc/00/34/14/320003414.db2.gz KEFSJGHKUNFWNI-UHFFFAOYSA-N 0 3 327.406 1.653 20 5 EDBDHN CC(C)[C@@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000449193303 320177797 /nfs/dbraw/zinc/17/77/97/320177797.db2.gz ZZMOSNVHBCIVOU-RHSMWYFYSA-N 0 3 349.431 1.999 20 5 EDBDHN CCN1C[C@@H](N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000449519950 320193921 /nfs/dbraw/zinc/19/39/21/320193921.db2.gz RJYSLKRCDMGSIC-AAEUAGOBSA-N 0 3 334.376 1.522 20 5 EDBDHN COc1nccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453262501 320261457 /nfs/dbraw/zinc/26/14/57/320261457.db2.gz SRBOPKARBUKZSH-CHWSQXEVSA-N 0 3 332.364 1.863 20 5 EDBDHN COC(=O)c1cc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000457092921 320319323 /nfs/dbraw/zinc/31/93/23/320319323.db2.gz XORUAQBZFXKDIO-AWEZNQCLSA-N 0 3 349.387 1.936 20 5 EDBDHN CC(C)N1CC[C@@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000457139368 320320188 /nfs/dbraw/zinc/32/01/88/320320188.db2.gz YFJJGZBSBUSDNN-CQSZACIVSA-N 0 3 334.420 1.972 20 5 EDBDHN COc1cc(C(=O)NC2(CN(C)C)CCC2)c([N+](=O)[O-])cc1F ZINC000298625072 443821526 /nfs/dbraw/zinc/82/15/26/443821526.db2.gz LZHZCTLQNMUOCK-UHFFFAOYSA-N 0 3 325.340 1.957 20 5 EDBDHN COC(=O)c1cnc(NC[C@@]2(N(C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000276799311 443831674 /nfs/dbraw/zinc/83/16/74/443831674.db2.gz QQAQCCWBCLPNNB-AWEZNQCLSA-N 0 3 340.405 1.626 20 5 EDBDHN COCCN(C)CCCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000298878009 443890991 /nfs/dbraw/zinc/89/09/91/443890991.db2.gz XHRSHHUZFBAITM-UHFFFAOYSA-N 0 3 339.392 1.448 20 5 EDBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CN1Cc1ccccc1 ZINC000285505016 444009574 /nfs/dbraw/zinc/00/95/74/444009574.db2.gz ASPITJAPFOGZJV-WCQYABFASA-N 0 3 329.360 1.711 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000293596649 444065577 /nfs/dbraw/zinc/06/55/77/444065577.db2.gz GPTALLNMYREPNM-ZWNOBZJWSA-N 0 3 341.795 1.775 20 5 EDBDHN Cc1nc(CCN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000299585574 444086515 /nfs/dbraw/zinc/08/65/15/444086515.db2.gz JJPPKKQTIKBMTD-UHFFFAOYSA-N 0 3 333.348 1.789 20 5 EDBDHN CCS(=O)(=O)C[C@@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567581436 321246425 /nfs/dbraw/zinc/24/64/25/321246425.db2.gz CHOMJYMXHZSUFA-LLVKDONJSA-N 0 3 343.405 1.336 20 5 EDBDHN O=C(CCN[C@@H]1CC(=O)N2CCCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000568742038 321303957 /nfs/dbraw/zinc/30/39/57/321303957.db2.gz DXAYZUXBVLVZHI-KGLIPLIRSA-N 0 3 346.387 1.666 20 5 EDBDHN Cn1ccnc1[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587365 321393254 /nfs/dbraw/zinc/39/32/54/321393254.db2.gz PUFZIOCEXKEDDB-UONOGXRCSA-N 0 3 346.387 1.558 20 5 EDBDHN O=C(N[C@H]1CCCN(CCCO)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000295521547 444188009 /nfs/dbraw/zinc/18/80/09/444188009.db2.gz QOWBZMALXAVHIW-ZDUSSCGKSA-N 0 3 346.387 1.653 20 5 EDBDHN CC1(C)[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCO[C@@H]21 ZINC000296105443 444204898 /nfs/dbraw/zinc/20/48/98/444204898.db2.gz IBEDRWGNTFFQGR-XYPHTWIQSA-N 0 3 345.399 1.887 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@@H](C)OC ZINC000290481911 444286415 /nfs/dbraw/zinc/28/64/15/444286415.db2.gz HHKGCJQFKMNSQG-OUAUKWLOSA-N 0 3 325.365 1.943 20 5 EDBDHN CCN1CCC(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000297864864 444343388 /nfs/dbraw/zinc/34/33/88/444343388.db2.gz METMOHHSHNERMZ-UHFFFAOYSA-N 0 3 334.376 1.442 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000331136397 444411237 /nfs/dbraw/zinc/41/12/37/444411237.db2.gz RYZWUKWWGGWSSD-CYBMUJFWSA-N 0 3 341.433 1.784 20 5 EDBDHN Cn1cc2c(n1)CCC[C@@H]2NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580555155 322066525 /nfs/dbraw/zinc/06/65/25/322066525.db2.gz GZGKKGDTSDRLNT-JSGCOSHPSA-N 0 3 346.387 1.735 20 5 EDBDHN NC(=O)C[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339134920 445049807 /nfs/dbraw/zinc/04/98/07/445049807.db2.gz AHOBMVYUXRUOLA-GXTWGEPZSA-N 0 3 337.376 1.064 20 5 EDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC(=O)N1CCN(C)CC1 ZINC000344793691 445143301 /nfs/dbraw/zinc/14/33/01/445143301.db2.gz OVLGCALQMWYVLG-QINSGFPZSA-N 0 3 346.431 1.752 20 5 EDBDHN Cc1nn(C)c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346174327 445207303 /nfs/dbraw/zinc/20/73/03/445207303.db2.gz YDVPZCLERFKSHE-NTZNESFSSA-N 0 3 335.408 1.439 20 5 EDBDHN COc1ccc(CN[C@@H]2CCO[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000343414089 445218186 /nfs/dbraw/zinc/21/81/86/445218186.db2.gz XGGUKGAUASDYQR-WBMJQRKESA-N 0 3 332.360 1.957 20 5 EDBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCN1C ZINC000343483377 445231502 /nfs/dbraw/zinc/23/15/02/445231502.db2.gz DRFZTRLVBUGIHE-OCCSQVGLSA-N 0 3 343.387 1.993 20 5 EDBDHN Cc1c(NC(=O)CCN(C)[C@@]2(CO)CCOC2)cccc1[N+](=O)[O-] ZINC000359833842 445452305 /nfs/dbraw/zinc/45/23/05/445452305.db2.gz NHBCEWHUFKMVJU-MRXNPFEDSA-N 0 3 337.376 1.315 20 5 EDBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@@H](c1ccccc1)N(C)C ZINC000356258789 445704064 /nfs/dbraw/zinc/70/40/64/445704064.db2.gz SMDXMBMGSSZNNE-ABAIWWIYSA-N 0 3 331.376 1.750 20 5 EDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N(C)Cc1ccccc1 ZINC000356473276 445809609 /nfs/dbraw/zinc/80/96/09/445809609.db2.gz CMQNNGSHBVCUML-GFCCVEGCSA-N 0 3 331.376 1.579 20 5 EDBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000363540769 445850305 /nfs/dbraw/zinc/85/03/05/445850305.db2.gz AYTQWLIBJODGCN-JHJVBQTASA-N 0 3 337.376 1.807 20 5 EDBDHN Cc1cc(OCC(=O)N2CC[C@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000369175582 445971283 /nfs/dbraw/zinc/97/12/83/445971283.db2.gz WVEISVKAIDYZOD-CJNGLKHVSA-N 0 3 333.388 1.835 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc3ncccc3c2)c1 ZINC000584049036 326189739 /nfs/dbraw/zinc/18/97/39/326189739.db2.gz VBZKHBLAQAAQMR-OAHLLOKOSA-N 0 3 327.344 1.490 20 5 EDBDHN CN1CCC[C@H](N2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C1 ZINC000365353341 446164439 /nfs/dbraw/zinc/16/44/39/446164439.db2.gz JRVHBOFFNLVFCP-ZDUSSCGKSA-N 0 3 338.433 1.508 20 5 EDBDHN CN1CCC(n2ccc(NC(=O)c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000373292819 446147178 /nfs/dbraw/zinc/14/71/78/446147178.db2.gz QOSRFSDCDJJDAQ-UHFFFAOYSA-N 0 3 329.360 2.310 20 5 EDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000366463579 446224441 /nfs/dbraw/zinc/22/44/41/446224441.db2.gz ROODPDSRIWGZTP-QWRGUYRKSA-N 0 3 333.323 1.210 20 5 EDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000362284072 446304280 /nfs/dbraw/zinc/30/42/80/446304280.db2.gz QNDJBABFVWPBAY-UHFFFAOYSA-N 0 3 341.371 1.954 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000366865894 446388493 /nfs/dbraw/zinc/38/84/93/446388493.db2.gz FCHVDPBIGVLYPE-OAGGEKHMSA-N 0 3 336.388 1.965 20 5 EDBDHN C[C@@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CN ZINC000420295314 446458120 /nfs/dbraw/zinc/45/81/20/446458120.db2.gz VFQOGDPQRZDUDE-DOMZBBRYSA-N 0 3 341.433 1.428 20 5 EDBDHN Cc1cc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000411311358 446485360 /nfs/dbraw/zinc/48/53/60/446485360.db2.gz MNHBDPMIWTYKCC-CYBMUJFWSA-N 0 3 332.360 1.148 20 5 EDBDHN CN1CC[C@@H]2CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21 ZINC000375042849 446537403 /nfs/dbraw/zinc/53/74/03/446537403.db2.gz SUSHAKGHMCVKHL-XOKHGSTOSA-N 0 3 344.415 1.726 20 5 EDBDHN [NH3+]CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420403078 446577092 /nfs/dbraw/zinc/57/70/92/446577092.db2.gz KELQZWCSVFENSI-UHFFFAOYSA-N 0 3 327.284 1.241 20 5 EDBDHN O=C(NC[C@@H]1CNCCO1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418757729 446677381 /nfs/dbraw/zinc/67/73/81/446677381.db2.gz DYIYRNPJLOUXGO-ZBFHGGJFSA-N 0 3 348.403 1.472 20 5 EDBDHN CC(C)COC[C@@H](O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402611 446776749 /nfs/dbraw/zinc/77/67/49/446776749.db2.gz KCCPZHHSANXVIW-HIFRSBDPSA-N 0 3 326.397 1.462 20 5 EDBDHN CN(CC(=O)N1C[C@@H](N)Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000424076337 446841545 /nfs/dbraw/zinc/84/15/45/446841545.db2.gz NCTBXTHIHHFARZ-AWEZNQCLSA-N 0 3 340.383 1.948 20 5 EDBDHN CN1CCC(O)(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412148550 446879342 /nfs/dbraw/zinc/87/93/42/446879342.db2.gz UPHVJOLUBBJCEC-LSDHHAIUSA-N 0 3 333.388 1.271 20 5 EDBDHN CNc1nc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454983339 447019109 /nfs/dbraw/zinc/01/91/09/447019109.db2.gz AVAVICSPVWMTEN-RYUDHWBXSA-N 0 3 335.408 1.882 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@](O)(Cc3ccc(F)cc3)C2)c1 ZINC000421031732 447001630 /nfs/dbraw/zinc/00/16/30/447001630.db2.gz YIQZFIYMBOAFBS-MRXNPFEDSA-N 0 3 334.351 1.610 20 5 EDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CNc4ccnn4C3)CC2)cn1 ZINC000619265353 450437952 /nfs/dbraw/zinc/43/79/52/450437952.db2.gz PTVFLTBSYRCIKY-CYBMUJFWSA-N 0 3 343.391 1.050 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCN1CCCO ZINC000455158340 447066513 /nfs/dbraw/zinc/06/65/13/447066513.db2.gz FJDJUHOIFUBSLR-CQSZACIVSA-N 0 3 336.392 1.872 20 5 EDBDHN O=C(NC[C@@H]1CCCCN1CCO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455338016 447112205 /nfs/dbraw/zinc/11/22/05/447112205.db2.gz RYYVUZJGMFNKIM-ZDUSSCGKSA-N 0 3 340.355 1.702 20 5 EDBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@H]2CNc3ccnn3C2)CC1 ZINC000619264235 450438408 /nfs/dbraw/zinc/43/84/08/450438408.db2.gz CPQMJVMCOPWLLU-CQSZACIVSA-N 0 3 342.403 1.655 20 5 EDBDHN O=C(CN1CC[C@H](c2nc[nH]n2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000425527902 447212612 /nfs/dbraw/zinc/21/26/12/447212612.db2.gz BMIKXWOMFZQZPZ-LBPRGKRZSA-N 0 3 342.359 1.092 20 5 EDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000421704777 447224854 /nfs/dbraw/zinc/22/48/54/447224854.db2.gz PUDGKUXPOHAJEZ-NSHDSACASA-N 0 3 335.360 1.532 20 5 EDBDHN Cc1nn(CCC(=O)N(C)[C@H]2CCN(C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000457119172 447524865 /nfs/dbraw/zinc/52/48/65/447524865.db2.gz NFESVAXICJDYCR-AWEZNQCLSA-N 0 3 337.424 1.739 20 5 EDBDHN Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1CN(C)C ZINC000458296420 447763152 /nfs/dbraw/zinc/76/31/52/447763152.db2.gz XOLINIZCTMHKLD-UHFFFAOYSA-N 0 3 344.371 1.765 20 5 EDBDHN C[C@H]1C[C@H]1N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)C1 ZINC000488747886 447850292 /nfs/dbraw/zinc/85/02/92/447850292.db2.gz FZZLGNWLJRKFLN-RWMBFGLXSA-N 0 3 330.392 1.804 20 5 EDBDHN C[C@@H](C[C@H]1CCCO1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569650471 447857861 /nfs/dbraw/zinc/85/78/61/447857861.db2.gz LCQDZOOJPLVDRC-GXTWGEPZSA-N 0 3 342.417 1.916 20 5 EDBDHN CNc1nccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000569986709 447931175 /nfs/dbraw/zinc/93/11/75/447931175.db2.gz FOOOFGWWNIYINE-NEPJUHHUSA-N 0 3 333.392 1.730 20 5 EDBDHN O=C1OCCN1C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000497224031 447978586 /nfs/dbraw/zinc/97/85/86/447978586.db2.gz ZZZZRZVEPUKGBZ-CYBMUJFWSA-N 0 3 335.360 1.748 20 5 EDBDHN COc1cc(C(=O)NCCN2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525804795 448028907 /nfs/dbraw/zinc/02/89/07/448028907.db2.gz RDDAAJQLXSHHBF-NSHDSACASA-N 0 3 337.376 1.684 20 5 EDBDHN CN1CCC[C@H](CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000526920548 448117469 /nfs/dbraw/zinc/11/74/69/448117469.db2.gz DDOQLAHVODCHRP-SNVBAGLBSA-N 0 3 338.339 1.130 20 5 EDBDHN COc1ccc(CC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000532080069 448197531 /nfs/dbraw/zinc/19/75/31/448197531.db2.gz INCKKQKTSRUXNZ-RISCZKNCSA-N 0 3 333.388 1.745 20 5 EDBDHN C[C@@H]1CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000571809763 448209896 /nfs/dbraw/zinc/20/98/96/448209896.db2.gz ZUGYIORPSUEVID-VXGBXAGGSA-N 0 3 342.417 1.914 20 5 EDBDHN NC[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000516768914 448470358 /nfs/dbraw/zinc/47/03/58/448470358.db2.gz GCPBFXTWPOAAEQ-OAHLLOKOSA-N 0 3 347.396 1.842 20 5 EDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000591686221 448451102 /nfs/dbraw/zinc/45/11/02/448451102.db2.gz UXVFVWNTHZLXSL-RYUDHWBXSA-N 0 3 333.323 1.210 20 5 EDBDHN CNc1nccc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000583943542 448467019 /nfs/dbraw/zinc/46/70/19/448467019.db2.gz MWSKBZIKPYKSDW-NWDGAFQWSA-N 0 3 335.408 2.024 20 5 EDBDHN CO[C@H]([C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591770437 448486968 /nfs/dbraw/zinc/48/69/68/448486968.db2.gz HCMGBIJCSPBWDA-IAQYHMDHSA-N 0 3 342.417 1.772 20 5 EDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000591982999 448610355 /nfs/dbraw/zinc/61/03/55/448610355.db2.gz SQXBLWSHIHHPJR-LBPRGKRZSA-N 0 3 343.387 1.699 20 5 EDBDHN CN(CCN(C)C1CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000546038461 448816926 /nfs/dbraw/zinc/81/69/26/448816926.db2.gz OXMINZIBGDAKSF-UHFFFAOYSA-N 0 3 336.392 1.709 20 5 EDBDHN CCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CCN(C)C1 ZINC000592832590 449008785 /nfs/dbraw/zinc/00/87/85/449008785.db2.gz UFXOZLYDTCZMFK-CQSZACIVSA-N 0 3 337.424 1.741 20 5 EDBDHN CCc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592874078 449030952 /nfs/dbraw/zinc/03/09/52/449030952.db2.gz RDKLZKMQLWYCOU-GFCCVEGCSA-N 0 3 348.403 1.349 20 5 EDBDHN CN(C)c1nccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000522059450 449047610 /nfs/dbraw/zinc/04/76/10/449047610.db2.gz GFCCEMFJOHQDPR-UONOGXRCSA-N 0 3 345.407 1.921 20 5 EDBDHN CN1C[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443032 449164314 /nfs/dbraw/zinc/16/43/14/449164314.db2.gz JMJKCTABIYPGRU-WMLDXEAASA-N 0 3 344.415 1.971 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1OC ZINC000590445040 449166069 /nfs/dbraw/zinc/16/60/69/449166069.db2.gz PQJGPLQORINZNY-SMDDNHRTSA-N 0 3 349.387 1.778 20 5 EDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590401480 449148550 /nfs/dbraw/zinc/14/85/50/449148550.db2.gz KYHXBNGAPJMXKC-HOTGVXAUSA-N 0 3 333.388 1.459 20 5 EDBDHN CN(C)CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000604265812 449198881 /nfs/dbraw/zinc/19/88/81/449198881.db2.gz WFEAMUKWTREUFA-UHFFFAOYSA-N 0 3 346.387 1.804 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H](CN)C(F)(F)F ZINC000595908747 449245775 /nfs/dbraw/zinc/24/57/75/449245775.db2.gz PUBLKLUCAZKMGN-JTQLQIEISA-N 0 3 334.298 1.663 20 5 EDBDHN C[C@H](C(=O)NC[C@H](O)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602166074 449397641 /nfs/dbraw/zinc/39/76/41/449397641.db2.gz WGCAWJDHWXEQQM-BBRMVZONSA-N 0 3 335.404 1.661 20 5 EDBDHN CCN1CCN(CCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611703396 449387995 /nfs/dbraw/zinc/38/79/95/449387995.db2.gz RZYSGIAVTXYGRL-UHFFFAOYSA-N 0 3 330.392 1.587 20 5 EDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000598536326 449451454 /nfs/dbraw/zinc/45/14/54/449451454.db2.gz RRGKILOVGKIOPV-ZDUSSCGKSA-N 0 3 336.392 1.638 20 5 EDBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000598535918 449451500 /nfs/dbraw/zinc/45/15/00/449451500.db2.gz LFIBXYAXLAAFAW-NSHDSACASA-N 0 3 337.380 1.033 20 5 EDBDHN CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000596289406 449458489 /nfs/dbraw/zinc/45/84/89/449458489.db2.gz PEDHAYBVAUUWBW-CQSZACIVSA-N 0 3 336.392 1.709 20 5 EDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000594359190 449466448 /nfs/dbraw/zinc/46/64/48/449466448.db2.gz WWGJGJBHZMLLMO-RYUDHWBXSA-N 0 3 327.768 1.304 20 5 EDBDHN CC(C)(C)N1CC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000596307385 449468038 /nfs/dbraw/zinc/46/80/38/449468038.db2.gz LQABDOYYMFJITL-SNVBAGLBSA-N 0 3 342.421 1.527 20 5 EDBDHN Cc1cc([N+](=O)[O-])cnc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596423287 449495408 /nfs/dbraw/zinc/49/54/08/449495408.db2.gz KSGSPZPXJZOFOX-KRWDZBQOSA-N 0 3 342.399 2.477 20 5 EDBDHN COCc1n[nH]c(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)n1 ZINC000596436200 449502803 /nfs/dbraw/zinc/50/28/03/449502803.db2.gz MTRJHGASOXZZTF-UHFFFAOYSA-N 0 3 328.332 1.750 20 5 EDBDHN CC(C)Oc1nc(NC[C@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000594544732 449569950 /nfs/dbraw/zinc/56/99/50/449569950.db2.gz DTPUPBGNPWCQCW-ZDUSSCGKSA-N 0 3 338.408 2.036 20 5 EDBDHN CN(C)CCn1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000601011113 449653233 /nfs/dbraw/zinc/65/32/33/449653233.db2.gz SFCHGHGTVUPLSP-UHFFFAOYSA-N 0 3 331.376 1.325 20 5 EDBDHN CN(C[C@@H]1CCCN1C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598905354 449641076 /nfs/dbraw/zinc/64/10/76/449641076.db2.gz SLTDLCDLJHUEOV-AWEZNQCLSA-N 0 3 349.391 1.269 20 5 EDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2CCN(C)C[C@H]21 ZINC000601140523 449711972 /nfs/dbraw/zinc/71/19/72/449711972.db2.gz XBYFVSKDVISICT-RKDXNWHRSA-N 0 3 333.314 1.878 20 5 EDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCn3ccnc3C1)OCCO2 ZINC000614580613 449694351 /nfs/dbraw/zinc/69/43/51/449694351.db2.gz HLNYETGFCYEMCU-GFCCVEGCSA-N 0 3 330.344 1.667 20 5 EDBDHN O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)CCCN1CCCC1)CC2 ZINC000601298722 449809270 /nfs/dbraw/zinc/80/92/70/449809270.db2.gz JOEOSMFDAKKLQR-UHFFFAOYSA-N 0 3 339.417 1.773 20 5 EDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000614822748 449831718 /nfs/dbraw/zinc/83/17/18/449831718.db2.gz SQBXNFZIRNDWNQ-GFCCVEGCSA-N 0 3 345.403 1.819 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000602834084 449843880 /nfs/dbraw/zinc/84/38/80/449843880.db2.gz ZPJMRAOLHXWHJP-AWEZNQCLSA-N 0 3 335.408 1.336 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000602843254 449849615 /nfs/dbraw/zinc/84/96/15/449849615.db2.gz FBAZGLNPBIKRGJ-CQSZACIVSA-N 0 3 335.408 1.577 20 5 EDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601422079 449940014 /nfs/dbraw/zinc/94/00/14/449940014.db2.gz OUQUCELSGFLFAP-GXSJLCMTSA-N 0 3 347.824 1.961 20 5 EDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)CCCN(C)C)CC2 ZINC000601384453 449901577 /nfs/dbraw/zinc/90/15/77/449901577.db2.gz CCWWBMHSRLWHCC-UHFFFAOYSA-N 0 3 327.406 1.547 20 5 EDBDHN COC(=O)[C@]1(OC)CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000599565042 450063850 /nfs/dbraw/zinc/06/38/50/450063850.db2.gz YFLGWFJZSSXYDJ-INIZCTEOSA-N 0 3 338.360 1.628 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599627256 450113645 /nfs/dbraw/zinc/11/36/45/450113645.db2.gz WBVQZDPXKFOJRU-INLINHOESA-N 0 3 337.376 1.943 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000597573822 450118201 /nfs/dbraw/zinc/11/82/01/450118201.db2.gz JFNKIYQBLXMCOF-HNNXBMFYSA-N 0 3 325.340 1.263 20 5 EDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000610238815 450158251 /nfs/dbraw/zinc/15/82/51/450158251.db2.gz HHZSDYVFYVXJTI-KRWDZBQOSA-N 0 3 347.415 1.851 20 5 EDBDHN COc1cnccc1N1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595465642 450161040 /nfs/dbraw/zinc/16/10/40/450161040.db2.gz DJKKVYRDLCEPAA-UHFFFAOYSA-N 0 3 333.348 1.617 20 5 EDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597694214 450203168 /nfs/dbraw/zinc/20/31/68/450203168.db2.gz JYBMAEXRLMHIPI-HUUCEWRRSA-N 0 3 337.351 1.669 20 5 EDBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)c(C)c1[N+](=O)[O-] ZINC000603314663 450238433 /nfs/dbraw/zinc/23/84/33/450238433.db2.gz UYYNVWRBDAQYPK-CHWSQXEVSA-N 0 3 341.433 1.973 20 5 EDBDHN COC(=O)Cc1ccc(NC[C@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC000603419793 450292914 /nfs/dbraw/zinc/29/29/14/450292914.db2.gz QHQAFJZNGUUGHV-NSHDSACASA-N 0 3 325.390 1.427 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC(C3CCOCC3)C2)c1 ZINC000619706025 450312087 /nfs/dbraw/zinc/31/20/87/450312087.db2.gz FHFXLVMGIQTCII-MRXNPFEDSA-N 0 3 336.388 1.693 20 5 EDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619476221 450484314 /nfs/dbraw/zinc/48/43/14/450484314.db2.gz SLVZXXWJOZXIHQ-LLVKDONJSA-N 0 3 345.421 1.612 20 5 EDBDHN CC(C)(C)[C@@H](CCO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183683296 526614556 /nfs/dbraw/zinc/61/45/56/526614556.db2.gz XPEXFLIBGFTHAG-OAHLLOKOSA-N 0 3 335.404 1.871 20 5 EDBDHN CCN(CCO)CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187349791 528538365 /nfs/dbraw/zinc/53/83/65/528538365.db2.gz XIKJOPGPDIYWFG-ZDUSSCGKSA-N 0 3 338.408 1.578 20 5 EDBDHN CCNC(=O)[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000339325224 535408509 /nfs/dbraw/zinc/40/85/09/535408509.db2.gz GCFWAXZLUVLHQZ-DZGCQCFKSA-N 0 3 339.392 1.085 20 5 EDBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCCN1C ZINC000346140637 535809396 /nfs/dbraw/zinc/80/93/96/535809396.db2.gz UCUITRPLIPRVQN-VXGBXAGGSA-N 0 3 338.412 1.038 20 5 EDBDHN CN(C)CCOc1ccccc1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271441380 535914529 /nfs/dbraw/zinc/91/45/29/535914529.db2.gz UBOHUQVPUDLXKZ-UHFFFAOYSA-N 0 3 347.375 1.199 20 5 EDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1cnccn1 ZINC000271365094 536307792 /nfs/dbraw/zinc/30/77/92/536307792.db2.gz QJSWFJZPWSNMBB-UHFFFAOYSA-N 0 3 329.360 1.888 20 5 EDBDHN COc1cc(CCNC(=O)[C@H](N)CC(F)F)c([N+](=O)[O-])cc1OC ZINC000345710132 536739274 /nfs/dbraw/zinc/73/92/74/536739274.db2.gz KCSAANLMTNTQPF-SECBINFHSA-N 0 3 347.318 1.253 20 5 EDBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CC=CC2)C1 ZINC000742415380 579451562 /nfs/dbraw/zinc/45/15/62/579451562.db2.gz SNNMXDHISDJSSP-HNNXBMFYSA-N 0 3 342.399 1.938 20 5 EDBDHN O=C(CCN1CCc2n[nH]nc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000759522016 580007937 /nfs/dbraw/zinc/00/79/37/580007937.db2.gz UOUGOCSGLYSCDC-UHFFFAOYSA-N 0 3 334.311 1.239 20 5 EDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729498507 578577025 /nfs/dbraw/zinc/57/70/25/578577025.db2.gz OXJSHFYRDFSRNW-LSDHHAIUSA-N 0 3 334.376 1.257 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)[C@H](C)C1 ZINC000761078308 580047027 /nfs/dbraw/zinc/04/70/27/580047027.db2.gz BLFZDTIPHCFEQO-GFCCVEGCSA-N 0 3 336.392 1.568 20 5 EDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCCN1CCCS1(=O)=O ZINC000740004473 579279951 /nfs/dbraw/zinc/27/99/51/579279951.db2.gz NQOXVHGEPXHZTD-UHFFFAOYSA-N 0 3 347.824 1.763 20 5 EDBDHN Nc1c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000749389138 579724575 /nfs/dbraw/zinc/72/45/75/579724575.db2.gz IBQRPEREEHAHDF-ZDUSSCGKSA-N 0 3 348.403 1.550 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000753707381 579885392 /nfs/dbraw/zinc/88/53/92/579885392.db2.gz PXPRIYASPXLPFU-AAEUAGOBSA-N 0 3 343.387 1.686 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000758331009 579980010 /nfs/dbraw/zinc/98/00/10/579980010.db2.gz LWCVVIGZOMLIDC-ABAIWWIYSA-N 0 3 343.387 1.543 20 5 EDBDHN O=C(NCCNc1ccncc1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000762817224 580084479 /nfs/dbraw/zinc/08/44/79/580084479.db2.gz ZPXOKNZPXCJHRB-UHFFFAOYSA-N 0 3 344.356 1.258 20 5 EDBDHN COc1cc(COC(=O)C2CCN(C)C2=O)c([N+](=O)[O-])cc1F ZINC000772526818 580314504 /nfs/dbraw/zinc/31/45/04/580314504.db2.gz PHAKSMZNJHLRNT-SECBINFHSA-N 0 3 326.280 1.264 20 5 EDBDHN CN1CCC2(CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000773922023 580349344 /nfs/dbraw/zinc/34/93/44/580349344.db2.gz CZWBSDJPNUSSKZ-HNNXBMFYSA-N 0 3 333.388 1.573 20 5 EDBDHN CCCNC(=O)[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776577959 580421863 /nfs/dbraw/zinc/42/18/63/580421863.db2.gz BNSWVWKKMAHICI-GDBMZVCRSA-N 0 3 335.404 1.866 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000776578569 580421924 /nfs/dbraw/zinc/42/19/24/580421924.db2.gz GKTCFTHPCNSSII-ZWKOTPCHSA-N 0 3 349.431 1.815 20 5 EDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@@H]2C[C@]2(CO)C1 ZINC000782619643 580580691 /nfs/dbraw/zinc/58/06/91/580580691.db2.gz QHCYYXREYOZQTH-MEDUHNTESA-N 0 3 333.344 1.207 20 5 EDBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000794618983 580899895 /nfs/dbraw/zinc/89/98/95/580899895.db2.gz OMMDMAJFGKVUMQ-UHFFFAOYSA-N 0 3 344.375 1.712 20 5 EDBDHN COc1c(O)ccc(CNCCN2CCSCC2)c1[N+](=O)[O-] ZINC000893347144 590794690 /nfs/dbraw/zinc/79/46/90/590794690.db2.gz ZMPJJNWEIMHVBD-UHFFFAOYSA-N 0 3 327.406 1.447 20 5 EDBDHN Cc1ccc(CNC(=O)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000892156672 590828623 /nfs/dbraw/zinc/82/86/23/590828623.db2.gz QUPWGUPWTIJUDO-GFCCVEGCSA-N 0 3 328.319 1.700 20 5 EDBDHN COc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000892213051 590868065 /nfs/dbraw/zinc/86/80/65/590868065.db2.gz UYKBGWIRFKVSFA-KGLIPLIRSA-N 0 3 348.403 1.982 20 5 EDBDHN O=[N+]([O-])c1c2nonc2ccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000892837868 591200342 /nfs/dbraw/zinc/20/03/42/591200342.db2.gz HUJFZBYXZLSYCE-NSHDSACASA-N 0 3 333.348 1.290 20 5 EDBDHN C[C@H]1[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCN1C ZINC000895740920 591262820 /nfs/dbraw/zinc/26/28/20/591262820.db2.gz USLOCWMESZZQJQ-CMPLNLGQSA-N 0 3 342.421 1.350 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@]3(C)CN(C)C[C@]3(C)C2)n1 ZINC000894803428 591421977 /nfs/dbraw/zinc/42/19/77/591421977.db2.gz YJQJFDLPOOTHAT-HZPDHXFCSA-N 0 3 334.376 1.554 20 5 EDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)CCO ZINC000899737108 591926648 /nfs/dbraw/zinc/92/66/48/591926648.db2.gz YMNYISAJNDWMJF-UHFFFAOYSA-N 0 3 327.406 1.361 20 5 EDBDHN CN1C[C@@]2(C)CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000902807553 592063555 /nfs/dbraw/zinc/06/35/55/592063555.db2.gz ZVKUAWVICYTZPR-IRXDYDNUSA-N 0 3 346.387 1.334 20 5 EDBDHN C[C@@H](CN[C@@H]1C(=O)NCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000903244684 592143581 /nfs/dbraw/zinc/14/35/81/592143581.db2.gz BCNTXZWTQAFQAS-SWLSCSKDSA-N 0 3 333.388 1.583 20 5 EDBDHN CN1CCOC[C@]1(CO)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903279741 592151114 /nfs/dbraw/zinc/15/11/14/592151114.db2.gz RVLPGNXMBUAOLM-SJLPKXTDSA-N 0 3 349.431 1.600 20 5 EDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@]1(O)CCCN(C)C1 ZINC000908124060 592312471 /nfs/dbraw/zinc/31/24/71/592312471.db2.gz IJPAQMURKXIUDV-QGZVFWFLSA-N 0 3 335.404 1.443 20 5 EDBDHN CN1CCN(c2ccc(C(F)(F)F)cc2CNCC[N+](=O)[O-])CC1 ZINC000905138079 592432640 /nfs/dbraw/zinc/43/26/40/592432640.db2.gz OMSXTWZJMQVVSJ-UHFFFAOYSA-N 0 3 346.353 1.824 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000905918932 592681697 /nfs/dbraw/zinc/68/16/97/592681697.db2.gz FNQPPMYFDQICMJ-UHFFFAOYSA-N 0 3 337.376 1.826 20 5 EDBDHN CN1CCC(N(CCO)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000911933959 593038795 /nfs/dbraw/zinc/03/87/95/593038795.db2.gz TUDIYIHUMCHPHY-UHFFFAOYSA-N 0 3 341.795 1.777 20 5 EDBDHN CN1CCC(N(CCO)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000911938944 593039872 /nfs/dbraw/zinc/03/98/72/593039872.db2.gz OGFPILKIMVZVRZ-UHFFFAOYSA-N 0 3 341.795 1.777 20 5 EDBDHN CCN(CC)CCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000912577302 593106070 /nfs/dbraw/zinc/10/60/70/593106070.db2.gz GDSMVUZYBMIEIM-UHFFFAOYSA-N 0 3 349.343 1.076 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCC[C@@H]1C ZINC000839490694 593307299 /nfs/dbraw/zinc/30/72/99/593307299.db2.gz MPNANSPYUWFZPS-ZDUSSCGKSA-N 0 3 348.403 1.751 20 5 EDBDHN C[C@H](C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000761665937 593420220 /nfs/dbraw/zinc/42/02/20/593420220.db2.gz VYSGBYMLYPTPIO-APHBMKBZSA-N 0 3 333.388 1.678 20 5 EDBDHN CC(C)n1ncc2cc(C=CC(=O)OCC(C)[N+](=O)[O-])c(=O)[nH]c21 ZINC000813111308 593518438 /nfs/dbraw/zinc/51/84/38/593518438.db2.gz GKPKZJHIYBYNDL-LWTINBJPSA-N 0 3 334.332 1.527 20 5 EDBDHN CC(COC(=O)c1ccc(N2CCCS2(=O)=O)cc1)[N+](=O)[O-] ZINC000813110156 593518501 /nfs/dbraw/zinc/51/85/01/593518501.db2.gz TYDFBCUWBLXDKD-SNVBAGLBSA-N 0 3 328.346 1.049 20 5 EDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[N+](=O)[O-] ZINC000813109672 593518589 /nfs/dbraw/zinc/51/85/89/593518589.db2.gz VNRGMWDQQXOLNW-DTWKUNHWSA-N 0 3 341.276 1.001 20 5 EDBDHN CN(C)[C@]1(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCSC1 ZINC000823988316 593902156 /nfs/dbraw/zinc/90/21/56/593902156.db2.gz VYJGNSVPTWPWBC-AWEZNQCLSA-N 0 3 339.421 1.736 20 5 EDBDHN C/C(=C\C(=O)N[C@@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000840453667 594005064 /nfs/dbraw/zinc/00/50/64/594005064.db2.gz KILIJDVRJLNELC-WSYSLRRZSA-N 0 3 347.415 1.961 20 5 EDBDHN C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824605846 594046522 /nfs/dbraw/zinc/04/65/22/594046522.db2.gz MJCFFITUYYJSLB-SNVBAGLBSA-N 0 3 328.336 1.322 20 5 EDBDHN CCOC(=O)c1cc(-c2nc(N3CCNCC3)no2)cc([N+](=O)[O-])c1 ZINC000823321312 594186130 /nfs/dbraw/zinc/18/61/30/594186130.db2.gz YRHFSXZMBJTRMJ-UHFFFAOYSA-N 0 3 347.331 1.231 20 5 EDBDHN CCO[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])CN(C)C ZINC000831744026 594698527 /nfs/dbraw/zinc/69/85/27/594698527.db2.gz MYXJILQCIAGFRK-ZDUSSCGKSA-N 0 3 338.408 1.114 20 5 EDBDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841195537 594866689 /nfs/dbraw/zinc/86/66/89/594866689.db2.gz XEUPJJNURHSQAS-SNVBAGLBSA-N 0 3 342.783 1.820 20 5 EDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000104531669 594967817 /nfs/dbraw/zinc/96/78/17/594967817.db2.gz IPEZWGSOYNFLOB-ZDUSSCGKSA-N 0 3 336.392 1.360 20 5 EDBDHN CC([C@@H](OC(=O)c1cc(C(N)=O)cn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845873321 595085388 /nfs/dbraw/zinc/08/53/88/595085388.db2.gz CLDSAOYNAJIOEF-LKFCYVNXSA-N 0 3 349.318 1.826 20 5 EDBDHN CN(C)c1cc(F)c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000834307929 595088625 /nfs/dbraw/zinc/08/86/25/595088625.db2.gz QPGZPFBLLIDTAG-ZUZCIYMTSA-N 0 3 336.367 1.576 20 5 EDBDHN COC(=O)[C@H]1CNCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843384349 595095967 /nfs/dbraw/zinc/09/59/67/595095967.db2.gz NMOWYADYMKPGPT-CYBMUJFWSA-N 0 3 327.768 1.585 20 5 EDBDHN C[C@@]1(F)CNCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843388437 595097604 /nfs/dbraw/zinc/09/76/04/595097604.db2.gz ZUUGKUYPZTUJRW-CQSZACIVSA-N 0 3 344.774 1.820 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104896808 595192390 /nfs/dbraw/zinc/19/23/90/595192390.db2.gz FZRYLAMPVUQSGI-GFCCVEGCSA-N 0 3 336.392 1.326 20 5 EDBDHN Cc1c(C(=O)N[C@@H]2CNCCC2(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834841926 595227506 /nfs/dbraw/zinc/22/75/06/595227506.db2.gz WZSPJDOOGPFHJS-LLVKDONJSA-N 0 3 344.274 1.538 20 5 EDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCCc3c2cnn3CCO)c1 ZINC000843066306 595279224 /nfs/dbraw/zinc/27/92/24/595279224.db2.gz UTCOUWUZAXVLFV-DOTOQJQBSA-N 0 3 346.387 1.484 20 5 EDBDHN C[C@H]1C[C@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000857765469 595599886 /nfs/dbraw/zinc/59/98/86/595599886.db2.gz AEGGMPDDFXYXQM-VHSXEESVSA-N 0 3 329.303 1.823 20 5 EDBDHN O=C([N-][C@H]1CCCC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765645 595599895 /nfs/dbraw/zinc/59/98/95/595599895.db2.gz SIVCBFJSVHVKKD-JTQLQIEISA-N 0 3 329.303 1.825 20 5 EDBDHN [NH3+]C[C@H]1CC[C@H]([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857766219 595600586 /nfs/dbraw/zinc/60/05/86/595600586.db2.gz OAAYQLWNLMMYAS-UWVGGRQHSA-N 0 3 329.303 1.810 20 5 EDBDHN CN1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCC1(C)C ZINC000871152640 596480178 /nfs/dbraw/zinc/48/01/78/596480178.db2.gz MEBHGWLQLJGVBG-UHFFFAOYSA-N 0 3 345.403 1.887 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865170645 596498453 /nfs/dbraw/zinc/49/84/53/596498453.db2.gz GUGFTQYGJLXKPL-CYBMUJFWSA-N 0 3 339.367 1.503 20 5 EDBDHN C[C@@H]1C[C@H](N(C)C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000867947054 596629439 /nfs/dbraw/zinc/62/94/39/596629439.db2.gz YAERLDNEXKUQAQ-MRRJBJDNSA-N 0 3 334.420 1.710 20 5 EDBDHN COc1cc(N[C@H]2CCN(CC(C)(C)O)C2)c(F)cc1[N+](=O)[O-] ZINC000865998969 596753143 /nfs/dbraw/zinc/75/31/43/596753143.db2.gz VLLBSNXSVJCFOM-JTQLQIEISA-N 0 3 327.356 2.000 20 5 EDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000874844433 597196743 /nfs/dbraw/zinc/19/67/43/597196743.db2.gz RYTMDTGOSSSGGA-GJZGRUSLSA-N 0 3 337.351 1.808 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881917950 597797239 /nfs/dbraw/zinc/79/72/39/597797239.db2.gz XKRGKPYRIVNXIV-UHFFFAOYSA-N 0 3 339.371 1.119 20 5 EDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000879057701 597805880 /nfs/dbraw/zinc/80/58/80/597805880.db2.gz UOYTZMCQMZWIIN-AWEZNQCLSA-N 0 3 331.376 1.956 20 5 EDBDHN CCN1CC[C@H]1CNc1ncc([N+](=O)[O-])c(NC[C@@H]2CCN2CC)n1 ZINC000882958853 598116562 /nfs/dbraw/zinc/11/65/62/598116562.db2.gz MLGGDGYQXLJQBM-STQMWFEESA-N 0 3 349.439 1.397 20 5 EDBDHN CCN1CCC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000918396127 697160653 /nfs/dbraw/zinc/16/06/53/697160653.db2.gz HAIVDSUTXRTUHE-CYBMUJFWSA-N 0 3 331.376 1.545 20 5 EDBDHN CO[C@]1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000922615834 704141653 /nfs/dbraw/zinc/14/16/53/704141653.db2.gz OQPMHIZEOWCQAE-VOKGJARPSA-N 0 3 340.401 1.401 20 5 EDBDHN CCO[C@@H](CNCc1cc(OC)c([O-])cc1[N+](=O)[O-])C[NH+](C)C ZINC000922756147 704316352 /nfs/dbraw/zinc/31/63/52/704316352.db2.gz GKPMEGCLRFPHNE-LBPRGKRZSA-N 0 3 327.381 1.365 20 5 EDBDHN CCc1n[nH]c(C(=O)NC[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000171397225 529468045 /nfs/dbraw/zinc/46/80/45/529468045.db2.gz FVIMNXBCMWQGGB-CYBMUJFWSA-N 0 3 331.376 1.913 20 5 EDBDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000184211117 530071967 /nfs/dbraw/zinc/07/19/67/530071967.db2.gz ZQEFHIXGXBDEDV-UHFFFAOYSA-N 0 3 340.449 1.802 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSCC1 ZINC000103467843 219302939 /nfs/dbraw/zinc/30/29/39/219302939.db2.gz TZGNGBKPWBVBKB-UHFFFAOYSA-N 0 3 325.390 1.981 20 5 EDBDHN CC[C@H](CNS(C)(=O)=O)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562786312 306308888 /nfs/dbraw/zinc/30/88/88/306308888.db2.gz BUQYMGLRZOBYBW-NWDGAFQWSA-N 0 3 329.422 1.882 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000184211492 235334070 /nfs/dbraw/zinc/33/40/70/235334070.db2.gz IPJZXIWISYUSCA-UHFFFAOYSA-N 0 3 349.435 1.444 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](Nc2ccccc2)C1 ZINC000090553946 138279574 /nfs/dbraw/zinc/27/95/74/138279574.db2.gz RCQINCUOVKSFKA-HNNXBMFYSA-N 0 3 328.372 1.943 20 5 EDBDHN CC(C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)S(C)(=O)=O ZINC000129557003 223068867 /nfs/dbraw/zinc/06/88/67/223068867.db2.gz CNGFXEVHXFJWCS-JTQLQIEISA-N 0 3 326.374 1.519 20 5 EDBDHN CCN1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000109984608 220007489 /nfs/dbraw/zinc/00/74/89/220007489.db2.gz UFYMSHZZDXWBQV-UHFFFAOYSA-N 0 3 344.371 1.650 20 5 EDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237580269 139054674 /nfs/dbraw/zinc/05/46/74/139054674.db2.gz QPRPINWSTXGZCC-NWDGAFQWSA-N 0 3 329.360 1.603 20 5 EDBDHN COC(=O)[C@H](C)[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000152141148 291731892 /nfs/dbraw/zinc/73/18/92/291731892.db2.gz JEDBKVNZYCGPSY-DOMZBBRYSA-N 0 3 332.360 1.931 20 5 EDBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261686590 139217487 /nfs/dbraw/zinc/21/74/87/139217487.db2.gz NGEHTFOXTZBTCQ-CPUCHLNUSA-N 0 3 333.388 1.744 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)N[C@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000415820733 251031195 /nfs/dbraw/zinc/03/11/95/251031195.db2.gz CASIFKTVYJFLGW-CYBMUJFWSA-N 0 3 334.376 1.475 20 5 EDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCNCC2)cn1 ZINC000262263970 139264624 /nfs/dbraw/zinc/26/46/24/139264624.db2.gz RROGRDILZJAAQV-UHFFFAOYSA-N 0 3 341.371 1.581 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424224922 252169618 /nfs/dbraw/zinc/16/96/18/252169618.db2.gz LBXYUIHFYQUBQL-CMPLNLGQSA-N 0 3 349.778 1.549 20 5 EDBDHN CCN1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000118825978 221190771 /nfs/dbraw/zinc/19/07/71/221190771.db2.gz KJSMKVODQNMLHP-UHFFFAOYSA-N 0 3 336.392 1.570 20 5 EDBDHN CS[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270645309 140140210 /nfs/dbraw/zinc/14/02/10/140140210.db2.gz KNOBZLVESONGCD-ZIAGYGMSSA-N 0 3 338.433 1.511 20 5 EDBDHN CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000270984599 140213735 /nfs/dbraw/zinc/21/37/35/140213735.db2.gz DFIDAJSQJBQKHD-GJZGRUSLSA-N 0 3 337.445 1.950 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)cc([N+](=O)[O-])c1F ZINC000271517843 140306145 /nfs/dbraw/zinc/30/61/45/140306145.db2.gz ZOYSOUCPPLEDHI-GXFFZTMASA-N 0 3 345.396 1.613 20 5 EDBDHN CCCN1CCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331971653 141104993 /nfs/dbraw/zinc/10/49/93/141104993.db2.gz URJUUZBQKAGZOJ-AWEZNQCLSA-N 0 3 335.408 1.829 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000332259270 141148404 /nfs/dbraw/zinc/14/84/04/141148404.db2.gz DHGJOBFJXRDXOR-BMIGLBTASA-N 0 3 339.342 1.968 20 5 EDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCN2CCC[C@H]2C1 ZINC000332678843 141227895 /nfs/dbraw/zinc/22/78/95/141227895.db2.gz UEEMUSWNUOMBSC-JTQLQIEISA-N 0 3 325.315 1.722 20 5 EDBDHN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000346493231 143210784 /nfs/dbraw/zinc/21/07/84/143210784.db2.gz SPOYWRYQWXIOIO-FZMZJTMJSA-N 0 3 343.405 1.030 20 5 EDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCN(C2CC2)C1 ZINC000347014159 143271577 /nfs/dbraw/zinc/27/15/77/143271577.db2.gz OLWTURQYUSTKDY-ZDUSSCGKSA-N 0 3 339.417 1.293 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347369893 143313596 /nfs/dbraw/zinc/31/35/96/143313596.db2.gz UOPUXOZSJIFNJM-AWEZNQCLSA-N 0 3 335.408 1.623 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000351490437 143571667 /nfs/dbraw/zinc/57/16/67/143571667.db2.gz FDDUAAWEPKZZIK-GXSJLCMTSA-N 0 3 338.339 1.271 20 5 EDBDHN Cn1cc(C(=O)NC[C@H]2CCCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357910762 151192424 /nfs/dbraw/zinc/19/24/24/151192424.db2.gz IGSIPXPNXCQQDX-CQSZACIVSA-N 0 3 343.387 1.819 20 5 EDBDHN O=[N+]([O-])c1cnn(CCc2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)c1 ZINC000357934650 151202660 /nfs/dbraw/zinc/20/26/60/151202660.db2.gz LFUALJVYENOQCJ-TXEJJXNPSA-N 0 3 345.363 1.272 20 5 EDBDHN Cc1c([C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000360847048 152228165 /nfs/dbraw/zinc/22/81/65/152228165.db2.gz GPJSSPLHTOOWKF-ZFWWWQNUSA-N 0 3 334.380 1.031 20 5 EDBDHN CCO[C@H]1COCC[C@@H]1NCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000362023722 152589649 /nfs/dbraw/zinc/58/96/49/152589649.db2.gz HMAMWIIPCDBZPG-BBRMVZONSA-N 0 3 340.376 1.766 20 5 EDBDHN COCCN1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000364516992 153256836 /nfs/dbraw/zinc/25/68/36/153256836.db2.gz PRZWLHVTXADQNZ-VOTSOKGWSA-N 0 3 333.388 1.789 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000364781112 153331224 /nfs/dbraw/zinc/33/12/24/153331224.db2.gz FYJYQZALJMMCPF-XJKSGUPXSA-N 0 3 335.360 1.699 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1C ZINC000367773750 154263088 /nfs/dbraw/zinc/26/30/88/154263088.db2.gz VJDWLUGJZCKPAI-QWRGUYRKSA-N 0 3 331.369 1.190 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1c2ccccc2CC[C@H]1CO ZINC000373810981 157014439 /nfs/dbraw/zinc/01/44/39/157014439.db2.gz CXSRMLDAMLLAFB-KBXCAEBGSA-N 0 3 343.383 1.642 20 5 EDBDHN O=[N+]([O-])c1cc(CN2CCC[C@H](c3nc[nH]n3)C2)c2c(c1)COCO2 ZINC000374540028 157322301 /nfs/dbraw/zinc/32/23/01/157322301.db2.gz BPYMGDFMYHBXRN-NSHDSACASA-N 0 3 345.359 1.959 20 5 EDBDHN O=C(CCN1CCC2(CCOC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000377999875 158052692 /nfs/dbraw/zinc/05/26/92/158052692.db2.gz JMSIMFGMGSLSBX-UHFFFAOYSA-N 0 3 347.371 1.953 20 5 EDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F ZINC000417929372 304433172 /nfs/dbraw/zinc/43/31/72/304433172.db2.gz AAQBFRSRRIAODC-LBPRGKRZSA-N 0 3 328.319 1.434 20 5 EDBDHN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CCN1C[C@@H](C)O ZINC000352417912 162171507 /nfs/dbraw/zinc/17/15/07/162171507.db2.gz WBZCUOGPOFWCOM-HIFRSBDPSA-N 0 3 337.420 1.880 20 5 EDBDHN Cc1c(C(=O)NC[C@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122049649 222004415 /nfs/dbraw/zinc/00/44/15/222004415.db2.gz SBARSPYFFGDZLG-ZDUSSCGKSA-N 0 3 334.420 1.517 20 5 EDBDHN CN(C)CCOc1cc(CNC(=O)c2ccccc2[N+](=O)[O-])ccn1 ZINC000124151432 222382952 /nfs/dbraw/zinc/38/29/52/222382952.db2.gz ANBLYIOAUVNOAE-UHFFFAOYSA-N 0 3 344.371 1.860 20 5 EDBDHN Cc1cc(N2CCN(C[C@@H](C)O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000275831981 268375769 /nfs/dbraw/zinc/37/57/69/268375769.db2.gz OMBSSQRDRNMQMI-CYBMUJFWSA-N 0 3 330.388 1.954 20 5 EDBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)NC ZINC000275983541 273139310 /nfs/dbraw/zinc/13/93/10/273139310.db2.gz YKRYUVJIOGUABY-NSHDSACASA-N 0 3 347.462 1.604 20 5 EDBDHN CCOCCOCCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276218247 273154035 /nfs/dbraw/zinc/15/40/35/273154035.db2.gz IRBCYTMGDJDUQG-CQSZACIVSA-N 0 3 342.392 1.319 20 5 EDBDHN COc1cc(CNC[C@@H](CO)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000280306767 273354779 /nfs/dbraw/zinc/35/47/79/273354779.db2.gz OBOZWKUFIXZDNX-AAEUAGOBSA-N 0 3 340.376 1.347 20 5 EDBDHN COCCN(C)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280649588 273381446 /nfs/dbraw/zinc/38/14/46/273381446.db2.gz NLZDQQPTXSIDMO-UHFFFAOYSA-N 0 3 347.774 1.624 20 5 EDBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N(C)C)cc1 ZINC000284843959 274355935 /nfs/dbraw/zinc/35/59/35/274355935.db2.gz CFNABIIJBODMHD-AWEZNQCLSA-N 0 3 331.376 1.913 20 5 EDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000286253788 287968181 /nfs/dbraw/zinc/96/81/81/287968181.db2.gz FECNVFREZGPKGM-STQMWFEESA-N 0 3 339.417 1.982 20 5 EDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000286569560 288036594 /nfs/dbraw/zinc/03/65/94/288036594.db2.gz DXNLXPAMLDLJMZ-WFASDCNBSA-N 0 3 339.417 1.842 20 5 EDBDHN Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cc([N+](=O)[O-])n[n-]3)C1)CCCC2 ZINC000286856998 288105416 /nfs/dbraw/zinc/10/54/16/288105416.db2.gz UPXKRSJAAXNJQB-LLVKDONJSA-N 0 3 344.375 1.789 20 5 EDBDHN C[C@@]1(F)CNCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420327430 279167348 /nfs/dbraw/zinc/16/73/48/279167348.db2.gz GGUONWLPPRWMLH-CQSZACIVSA-N 0 3 345.396 1.002 20 5 EDBDHN Cc1c(C(=O)N[C@@H](C)CN(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000287298777 288203610 /nfs/dbraw/zinc/20/36/10/288203610.db2.gz VFLMNHMGHGAXFP-JTQLQIEISA-N 0 3 332.364 1.164 20 5 EDBDHN CN(C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000290523907 288911926 /nfs/dbraw/zinc/91/19/26/288911926.db2.gz GQYHJONCYPCHEF-CYBMUJFWSA-N 0 3 347.350 1.943 20 5 EDBDHN COC[C@H](C)OC[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292208705 289289202 /nfs/dbraw/zinc/28/92/02/289289202.db2.gz TUDMQXKRVILKEH-QWHCGFSZSA-N 0 3 326.393 1.832 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]C[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000292553115 289379606 /nfs/dbraw/zinc/37/96/06/289379606.db2.gz HRQLUMOXXSUZEM-SNVBAGLBSA-N 0 3 331.394 1.079 20 5 EDBDHN N=C(NO)[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000374170756 295007226 /nfs/dbraw/zinc/00/72/26/295007226.db2.gz CKMZRAGEIUQTND-GFCCVEGCSA-N 0 3 346.347 1.955 20 5 EDBDHN CN1CCC[C@]2(CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000294107598 303063726 /nfs/dbraw/zinc/06/37/26/303063726.db2.gz KZUWHIMHOXFEMR-KRWDZBQOSA-N 0 3 333.388 1.918 20 5 EDBDHN Cc1c(NC(=O)CCN2CCCN(C=O)CC2)cccc1[N+](=O)[O-] ZINC000294307385 303089287 /nfs/dbraw/zinc/08/92/87/303089287.db2.gz VOIMQXXIBWXERI-UHFFFAOYSA-N 0 3 334.376 1.396 20 5 EDBDHN CN(C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CCO1 ZINC000302072245 303711290 /nfs/dbraw/zinc/71/12/90/303711290.db2.gz ZDXOUVAUUAYHLF-LLVKDONJSA-N 0 3 331.319 1.963 20 5 EDBDHN C[C@H](N[C@@H](CO)[C@H]1CCCOC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411993702 303947967 /nfs/dbraw/zinc/94/79/67/303947967.db2.gz LXZDCSOCQRASGC-HUBLWGQQSA-N 0 3 337.376 1.299 20 5 EDBDHN C[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451404457 305344042 /nfs/dbraw/zinc/34/40/42/305344042.db2.gz GKXLRLKGCYKUTQ-FOGDFJRCSA-N 0 3 336.314 1.815 20 5 EDBDHN COCCOC[C@@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545998 305352536 /nfs/dbraw/zinc/35/25/36/305352536.db2.gz IMKDOBWDHJZCDW-RDJZCZTQSA-N 0 3 338.404 1.798 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451630451 305357506 /nfs/dbraw/zinc/35/75/06/305357506.db2.gz LQRLSJLAUJKVGW-TYNCELHUSA-N 0 3 348.403 1.566 20 5 EDBDHN Cc1c(CC(=O)NC[C@@H]2CCCCN2CCO)cccc1[N+](=O)[O-] ZINC000452363928 305392951 /nfs/dbraw/zinc/39/29/51/305392951.db2.gz AARGADCTBGJGTO-HNNXBMFYSA-N 0 3 335.404 1.409 20 5 EDBDHN CN(C)CC(C)(C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000457226111 305484721 /nfs/dbraw/zinc/48/47/21/305484721.db2.gz UFIGPIXLQXKSLH-UHFFFAOYSA-N 0 3 336.392 1.171 20 5 EDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCCC1 ZINC000493856207 305629886 /nfs/dbraw/zinc/62/98/86/305629886.db2.gz LJBGHWANERRPII-AJHXJQRKSA-N 0 3 333.388 1.571 20 5 EDBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548413970 306127509 /nfs/dbraw/zinc/12/75/09/306127509.db2.gz LESHSQMSQDFAMN-UHFFFAOYSA-N 0 3 345.403 1.955 20 5 EDBDHN CC(C)(NC(=O)[C@H]1CN2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000551815194 306162654 /nfs/dbraw/zinc/16/26/54/306162654.db2.gz IWFZDAOWZLXXOU-OAHLLOKOSA-N 0 3 332.404 1.336 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H](CO)[C@H](O)C3)o2)c1 ZINC000554742180 306197280 /nfs/dbraw/zinc/19/72/80/306197280.db2.gz ULINFNQOVSSJEH-UKRRQHHQSA-N 0 3 347.371 1.467 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000044670877 440869268 /nfs/dbraw/zinc/86/92/68/440869268.db2.gz KJADJKUOXSCJPD-CYBMUJFWSA-N 0 3 335.360 1.596 20 5 EDBDHN Cc1nn(CC(=O)NC[C@H](c2ccccc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000007391559 441050106 /nfs/dbraw/zinc/05/01/06/441050106.db2.gz NTLYSDVJOPDDLD-OAHLLOKOSA-N 0 3 345.403 1.827 20 5 EDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000046947898 441139807 /nfs/dbraw/zinc/13/98/07/441139807.db2.gz HNAIKTHKVMHKFK-LBPRGKRZSA-N 0 3 335.408 1.054 20 5 EDBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000048716822 441326227 /nfs/dbraw/zinc/32/62/27/441326227.db2.gz YGYSNVODDKLYBR-JTQLQIEISA-N 0 3 326.374 1.485 20 5 EDBDHN Cc1c(NC(=O)CCN[C@@H](C(N)=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000106444263 441343639 /nfs/dbraw/zinc/34/36/39/441343639.db2.gz NIHZXSIROMBASS-AWEZNQCLSA-N 0 3 336.392 1.721 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(C3CCCC3)CC2)c1 ZINC000028918992 441441416 /nfs/dbraw/zinc/44/14/16/441441416.db2.gz QQGMEJRCPBFSKO-QGZVFWFLSA-N 0 3 349.431 1.895 20 5 EDBDHN NC(=O)CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000052826559 441477068 /nfs/dbraw/zinc/47/70/68/441477068.db2.gz DWQKYWSRAIRGBC-CQSZACIVSA-N 0 3 337.376 1.064 20 5 EDBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cn[nH]c1 ZINC000085824700 441451786 /nfs/dbraw/zinc/45/17/86/441451786.db2.gz SFMLKKHZQBECKS-UHFFFAOYSA-N 0 3 331.332 1.748 20 5 EDBDHN CC[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N1CCCC1 ZINC000029623212 441466313 /nfs/dbraw/zinc/46/63/13/441466313.db2.gz CAYUASSFYZINHR-NSHDSACASA-N 0 3 342.421 1.529 20 5 EDBDHN CNC(=O)c1ccc(NCCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000053560600 441530680 /nfs/dbraw/zinc/53/06/80/441530680.db2.gz NMLIKJBIRKPUTH-UHFFFAOYSA-N 0 3 349.435 1.394 20 5 EDBDHN CCN1CCN(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088349469 441504870 /nfs/dbraw/zinc/50/48/70/441504870.db2.gz QZXYDXYOSOYPLM-UHFFFAOYSA-N 0 3 346.431 1.507 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC[C@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000109849504 441510313 /nfs/dbraw/zinc/51/03/13/441510313.db2.gz USLMAMIILSAQAC-LLVKDONJSA-N 0 3 335.360 1.453 20 5 EDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C)cc1OC ZINC000033093793 441588466 /nfs/dbraw/zinc/58/84/66/441588466.db2.gz RYWLJTANZQXKGS-JTQLQIEISA-N 0 3 325.365 1.682 20 5 EDBDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041668537 441667039 /nfs/dbraw/zinc/66/70/39/441667039.db2.gz BLIATTNUABXWOX-GFCCVEGCSA-N 0 3 334.376 1.381 20 5 EDBDHN CCCc1n[n-]c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000068305884 441772395 /nfs/dbraw/zinc/77/23/95/441772395.db2.gz IFSDGDQGJSONHY-NSHDSACASA-N 0 3 335.364 1.896 20 5 EDBDHN COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139119222 441805632 /nfs/dbraw/zinc/80/56/32/441805632.db2.gz DQCNCADJAXCGLG-UHFFFAOYSA-N 0 3 329.784 1.946 20 5 EDBDHN Cc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000122002699 441826928 /nfs/dbraw/zinc/82/69/28/441826928.db2.gz VOIIMOZYDBYZEA-ZDUSSCGKSA-N 0 3 334.420 1.517 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000078493368 441938193 /nfs/dbraw/zinc/93/81/93/441938193.db2.gz ZYROZNZLEQFHLV-UHFFFAOYSA-N 0 3 338.383 1.724 20 5 EDBDHN CCN1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000124897088 441965096 /nfs/dbraw/zinc/96/50/96/441965096.db2.gz DIHWXLPSODVTRD-ZDUSSCGKSA-N 0 3 341.433 1.746 20 5 EDBDHN CNC(=O)CC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175020608 441995914 /nfs/dbraw/zinc/99/59/14/441995914.db2.gz ABLWRQUHEGUGEA-UHFFFAOYSA-N 0 3 348.403 1.772 20 5 EDBDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221272 442194935 /nfs/dbraw/zinc/19/49/35/442194935.db2.gz BWMZIRQXKVXPSA-ZIAGYGMSSA-N 0 3 337.424 1.808 20 5 EDBDHN Cc1nn(C)c(C(=O)NC[C@H]2CCCCN2CC(C)C)c1[N+](=O)[O-] ZINC000154135318 442323307 /nfs/dbraw/zinc/32/33/07/442323307.db2.gz XZJKPKHZLULTDD-CYBMUJFWSA-N 0 3 337.424 1.877 20 5 EDBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000171752067 442377116 /nfs/dbraw/zinc/37/71/16/442377116.db2.gz NGMFMRNCOTWMQG-CYBMUJFWSA-N 0 3 329.360 1.311 20 5 EDBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000171881221 442387483 /nfs/dbraw/zinc/38/74/83/442387483.db2.gz YXWMZCZSCKKDDM-CYBMUJFWSA-N 0 3 331.376 1.428 20 5 EDBDHN COc1cc(C(=O)NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000172344943 442447533 /nfs/dbraw/zinc/44/75/33/442447533.db2.gz VIAHFKLLNUBKCT-UHFFFAOYSA-N 0 3 337.376 1.180 20 5 EDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181410920 442695523 /nfs/dbraw/zinc/69/55/23/442695523.db2.gz KRUIYEXLUCVREH-UHFFFAOYSA-N 0 3 347.318 1.504 20 5 EDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(CC2CCOCC2)CC1 ZINC000192608448 442668030 /nfs/dbraw/zinc/66/80/30/442668030.db2.gz BXYFUBCRYKOKRG-UHFFFAOYSA-N 0 3 337.424 1.668 20 5 EDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000193583312 442756310 /nfs/dbraw/zinc/75/63/10/442756310.db2.gz QYHWJQORSHSSAV-GFCCVEGCSA-N 0 3 340.449 1.660 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)N[C@@H]2CNCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193401048 442739209 /nfs/dbraw/zinc/73/92/09/442739209.db2.gz UWJCKUKXBDNCDX-JOYOIKCWSA-N 0 3 327.406 1.488 20 5 EDBDHN O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc2c(c1)CNC2 ZINC000188737259 442800302 /nfs/dbraw/zinc/80/03/02/442800302.db2.gz ONUVDTYDJQXSCU-UHFFFAOYSA-N 0 3 327.340 1.893 20 5 EDBDHN CCN1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000194046266 442836499 /nfs/dbraw/zinc/83/64/99/442836499.db2.gz FDKLXELVBNTWDK-CQSZACIVSA-N 0 3 348.403 1.234 20 5 EDBDHN CCN(CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC000183015606 442865233 /nfs/dbraw/zinc/86/52/33/442865233.db2.gz GIVQGJUNIAQWNE-MRXNPFEDSA-N 0 3 346.387 1.688 20 5 EDBDHN CN(C)C[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000268117475 442854893 /nfs/dbraw/zinc/85/48/93/442854893.db2.gz KJAFZHKGARKEGT-NSHDSACASA-N 0 3 325.340 1.665 20 5 EDBDHN C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000268270932 442926245 /nfs/dbraw/zinc/92/62/45/442926245.db2.gz SPHVWQLJTSHJHV-CABZTGNLSA-N 0 3 347.824 1.819 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268528998 443022715 /nfs/dbraw/zinc/02/27/15/443022715.db2.gz HRQFVWXWYQFTEB-MRXNPFEDSA-N 0 3 329.404 1.998 20 5 EDBDHN COc1ccc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000189881792 443023557 /nfs/dbraw/zinc/02/35/57/443023557.db2.gz YGUXNINETRESBP-ZDUSSCGKSA-N 0 3 337.420 1.880 20 5 EDBDHN C[C@@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184803236 443078663 /nfs/dbraw/zinc/07/86/63/443078663.db2.gz VJTXKLTZPKEOSR-WOPDTQHZSA-N 0 3 334.376 1.556 20 5 EDBDHN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c([N+](=O)[O-])c1 ZINC000268892551 443138962 /nfs/dbraw/zinc/13/89/62/443138962.db2.gz YMBOUWJHCONETR-HNNXBMFYSA-N 0 3 332.404 1.646 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3ccccc3F)C2)c1 ZINC000266507480 443150427 /nfs/dbraw/zinc/15/04/27/443150427.db2.gz CMTIGEVTALJAEK-TZMCWYRMSA-N 0 3 334.351 1.781 20 5 EDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263713927 443237622 /nfs/dbraw/zinc/23/76/22/443237622.db2.gz NECOMUPBZMCXLE-OAHLLOKOSA-N 0 3 348.403 1.267 20 5 EDBDHN CC(C)(CN1CCOCC1)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412001258 319220477 /nfs/dbraw/zinc/22/04/77/319220477.db2.gz GNRITDVXQATSET-UHFFFAOYSA-N 0 3 336.392 1.234 20 5 EDBDHN CCN1CC[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000413849853 319293775 /nfs/dbraw/zinc/29/37/75/319293775.db2.gz YWTQUIWOBJFOEK-GFCCVEGCSA-N 0 3 334.376 1.462 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000282419714 443334125 /nfs/dbraw/zinc/33/41/25/443334125.db2.gz YNZBQAIUAIDIKM-YJBOKZPZSA-N 0 3 349.431 1.672 20 5 EDBDHN Cn1cccc1[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266950303 443300116 /nfs/dbraw/zinc/30/01/16/443300116.db2.gz UCHGYYGVJQTFBR-ZBFHGGJFSA-N 0 3 333.392 1.718 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272584090 443372315 /nfs/dbraw/zinc/37/23/15/443372315.db2.gz ONWIVGORVPCSHM-ZBFHGGJFSA-N 0 3 346.387 1.553 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000270571739 443476295 /nfs/dbraw/zinc/47/62/95/443476295.db2.gz VMLNSUUFBZLEEA-OAHLLOKOSA-N 0 3 336.392 1.109 20 5 EDBDHN O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000272794731 443448314 /nfs/dbraw/zinc/44/83/14/443448314.db2.gz KCFBTVIDXMLYCK-AWEZNQCLSA-N 0 3 344.371 1.420 20 5 EDBDHN O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000272794731 443448322 /nfs/dbraw/zinc/44/83/22/443448322.db2.gz KCFBTVIDXMLYCK-AWEZNQCLSA-N 0 3 344.371 1.420 20 5 EDBDHN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCC[C@@H]2C1 ZINC000283547737 443658587 /nfs/dbraw/zinc/65/85/87/443658587.db2.gz PQAOQTFIKBDKJB-CQSZACIVSA-N 0 3 328.376 1.675 20 5 EDBDHN CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000298210508 443721813 /nfs/dbraw/zinc/72/18/13/443721813.db2.gz UUBSCVCKWMPBHT-UHFFFAOYSA-N 0 3 348.403 1.267 20 5 EDBDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N(C)C ZINC000298604951 443813792 /nfs/dbraw/zinc/81/37/92/443813792.db2.gz PKJWEEFWVPWRQM-MRVPVSSYSA-N 0 3 328.756 1.253 20 5 EDBDHN O=C(N[C@H](CO)CN1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000288631876 443939294 /nfs/dbraw/zinc/93/92/94/443939294.db2.gz WPPQWVAHLAZMAU-ZDUSSCGKSA-N 0 3 346.387 1.653 20 5 EDBDHN CC(C)(C)N1CCC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000565656448 321195580 /nfs/dbraw/zinc/19/55/80/321195580.db2.gz RKTCOLXPPKZPKH-LBPRGKRZSA-N 0 3 326.374 1.768 20 5 EDBDHN O=C1C[C@@H](NCC2(O)CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000571101899 321371384 /nfs/dbraw/zinc/37/13/84/321371384.db2.gz RHTCKMYRCUNHSJ-CYBMUJFWSA-N 0 3 333.344 1.121 20 5 EDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(O)CCN(C)CC1 ZINC000289910821 444218137 /nfs/dbraw/zinc/21/81/37/444218137.db2.gz VAFDEBSWKAVAIF-UHFFFAOYSA-N 0 3 336.392 1.735 20 5 EDBDHN C[C@@H]1CN(CCCCNc2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)O1 ZINC000301973354 444199270 /nfs/dbraw/zinc/19/92/70/444199270.db2.gz UVKVQTYQQKRCAA-CHWSQXEVSA-N 0 3 348.407 1.939 20 5 EDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319872396 444326375 /nfs/dbraw/zinc/32/63/75/444326375.db2.gz WNRADBVDEUVVBI-GXSJLCMTSA-N 0 3 331.369 1.447 20 5 EDBDHN O=C([C@@H]1CCCN1C1CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000580929110 322112774 /nfs/dbraw/zinc/11/27/74/322112774.db2.gz DRWCBLWDVIWAPC-WFASDCNBSA-N 0 3 345.403 1.629 20 5 EDBDHN C[C@@H]1C[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000580979500 322119749 /nfs/dbraw/zinc/11/97/49/322119749.db2.gz JKZOGSSZXSFCMA-CHWSQXEVSA-N 0 3 342.417 1.773 20 5 EDBDHN COC(=O)CN(C)C(=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342317587 444627006 /nfs/dbraw/zinc/62/70/06/444627006.db2.gz DFACOAWTODBXGX-GFCCVEGCSA-N 0 3 337.376 1.575 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCCOC2)cc1 ZINC000342315086 444625853 /nfs/dbraw/zinc/62/58/53/444625853.db2.gz VXWDLEYHZNEWBP-GFCCVEGCSA-N 0 3 328.390 1.385 20 5 EDBDHN CO[C@H]1C[C@H](CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)N(C)C1 ZINC000343869811 444637653 /nfs/dbraw/zinc/63/76/53/444637653.db2.gz CEAGBTFMAURSKK-NEPJUHHUSA-N 0 3 347.375 1.399 20 5 EDBDHN COC(=O)c1cn(CCNCc2ccc(C(C)C)c([N+](=O)[O-])c2)nn1 ZINC000341252922 444749594 /nfs/dbraw/zinc/74/95/94/444749594.db2.gz HXORTFZQXZHFHF-UHFFFAOYSA-N 0 3 347.375 1.886 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000330691717 445098323 /nfs/dbraw/zinc/09/83/23/445098323.db2.gz ZHDOTFAKJGFELK-ZDUSSCGKSA-N 0 3 327.406 1.618 20 5 EDBDHN COc1cc(CSc2nnnn2CCN(C)C)ccc1[N+](=O)[O-] ZINC000351830426 445336342 /nfs/dbraw/zinc/33/63/42/445336342.db2.gz RSWJBGJMXXRFRW-UHFFFAOYSA-N 0 3 338.393 1.444 20 5 EDBDHN CN1CCC[C@H]1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000362601463 445458119 /nfs/dbraw/zinc/45/81/19/445458119.db2.gz TWORQPNZYOETPH-LBPRGKRZSA-N 0 3 335.360 1.119 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000363063168 445665414 /nfs/dbraw/zinc/66/54/14/445665414.db2.gz WDEHETQZBNVLBG-KOLCDFICSA-N 0 3 341.314 1.466 20 5 EDBDHN COC(=O)C1CCN(CCCNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000354074430 445888186 /nfs/dbraw/zinc/88/81/86/445888186.db2.gz GICVAQFFDDMNCD-UHFFFAOYSA-N 0 3 336.392 1.985 20 5 EDBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000351143103 446000031 /nfs/dbraw/zinc/00/00/31/446000031.db2.gz RLPBRHXWHALQKN-XUJVJEKNSA-N 0 3 349.387 1.877 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@@H](N3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000365134812 446046744 /nfs/dbraw/zinc/04/67/44/446046744.db2.gz QSQPGJVZBXYKHX-CQSZACIVSA-N 0 3 335.408 1.495 20 5 EDBDHN COc1cc(CN(C)C2CCN(CCO)CC2)c([N+](=O)[O-])cc1F ZINC000361929361 446079232 /nfs/dbraw/zinc/07/92/32/446079232.db2.gz FYGFPSBPBGZCQB-UHFFFAOYSA-N 0 3 341.383 1.631 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000361946847 446096753 /nfs/dbraw/zinc/09/67/53/446096753.db2.gz YUAPOCLHVUIBKQ-HNNXBMFYSA-N 0 3 346.387 1.620 20 5 EDBDHN C[C@@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CN ZINC000420295316 446457407 /nfs/dbraw/zinc/45/74/07/446457407.db2.gz VFQOGDPQRZDUDE-IUODEOHRSA-N 0 3 341.433 1.428 20 5 EDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000374999762 446504350 /nfs/dbraw/zinc/50/43/50/446504350.db2.gz RYPBIIZTZILGGA-OAHLLOKOSA-N 0 3 349.431 1.815 20 5 EDBDHN NCc1cn([C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000420368986 446548910 /nfs/dbraw/zinc/54/89/10/446548910.db2.gz BBQAXPWKKCGRKJ-OAHLLOKOSA-N 0 3 346.391 1.361 20 5 EDBDHN COc1ccc(OCCN2CC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000412024344 446791019 /nfs/dbraw/zinc/79/10/19/446791019.db2.gz BRPYGSQGPDQRSH-LBPRGKRZSA-N 0 3 347.375 1.898 20 5 EDBDHN COc1ccc(OCCN2CC[C@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412024344 446791024 /nfs/dbraw/zinc/79/10/24/446791024.db2.gz BRPYGSQGPDQRSH-LBPRGKRZSA-N 0 3 347.375 1.898 20 5 EDBDHN COc1ccc(OCCN2CC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412024344 446791028 /nfs/dbraw/zinc/79/10/28/446791028.db2.gz BRPYGSQGPDQRSH-LBPRGKRZSA-N 0 3 347.375 1.898 20 5 EDBDHN Cc1nn(CCC(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000368591176 446963103 /nfs/dbraw/zinc/96/31/03/446963103.db2.gz LWSQRDYTEAFDKM-UONOGXRCSA-N 0 3 335.408 1.351 20 5 EDBDHN CC(C)(O)CN1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000372549089 447130545 /nfs/dbraw/zinc/13/05/45/447130545.db2.gz XGWGSKZJECCFFM-INIZCTEOSA-N 0 3 337.420 1.407 20 5 EDBDHN C[C@@H](CO)N1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000372731209 447252063 /nfs/dbraw/zinc/25/20/63/447252063.db2.gz ZXHBXKVODNBZQF-GPAKFWEMSA-N 0 3 333.388 1.523 20 5 EDBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455842799 447240044 /nfs/dbraw/zinc/24/00/44/447240044.db2.gz JZBWQCFDKZLIPR-RYUDHWBXSA-N 0 3 333.392 1.730 20 5 EDBDHN O=C(CN[C@H]1CCO[C@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000372797878 447288938 /nfs/dbraw/zinc/28/89/38/447288938.db2.gz DUSJKOZFDXJDNC-QFYYESIMSA-N 0 3 349.343 1.419 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CCN(C)C ZINC000420051730 447568829 /nfs/dbraw/zinc/56/88/29/447568829.db2.gz WKPQIZNLDXQEQR-OAHLLOKOSA-N 0 3 325.365 1.036 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459648016 447731502 /nfs/dbraw/zinc/73/15/02/447731502.db2.gz BPDTXTPUVWMFOU-IIAWOOMASA-N 0 3 348.399 1.835 20 5 EDBDHN COC[C@]1(C(=O)OCC(C)[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC000496546513 447815604 /nfs/dbraw/zinc/81/56/04/447815604.db2.gz HHFOZFANHGHRHW-NHYWBVRUSA-N 0 3 346.380 1.468 20 5 EDBDHN O=C(CCN[C@H]1C[C@H]2CCCCN2C1=O)Nc1ccccc1[N+](=O)[O-] ZINC000582601081 448286161 /nfs/dbraw/zinc/28/61/61/448286161.db2.gz BIJLXOWCZVEMSH-OCCSQVGLSA-N 0 3 346.387 1.666 20 5 EDBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000583449296 448434808 /nfs/dbraw/zinc/43/48/08/448434808.db2.gz GZJIANCXSWQXNR-LBPRGKRZSA-N 0 3 335.408 1.812 20 5 EDBDHN CC1(C)CNCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000591677688 448446320 /nfs/dbraw/zinc/44/63/20/448446320.db2.gz AQXUWLGHSDNJNI-UHFFFAOYSA-N 0 3 329.360 1.605 20 5 EDBDHN Cc1ccc([C@@H](C)NC(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000516856713 448483518 /nfs/dbraw/zinc/48/35/18/448483518.db2.gz BBKOYLAVQVUAGQ-OCCSQVGLSA-N 0 3 335.408 1.249 20 5 EDBDHN CCn1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1=O ZINC000591763785 448484663 /nfs/dbraw/zinc/48/46/63/448484663.db2.gz IVGNMDTUCPFVEW-AWEZNQCLSA-N 0 3 347.371 1.306 20 5 EDBDHN CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccncc1 ZINC000584534343 448561658 /nfs/dbraw/zinc/56/16/58/448561658.db2.gz LUADAKOKRLUKEE-UHFFFAOYSA-N 0 3 331.376 1.912 20 5 EDBDHN Cn1ccnc1[C@@H]1CNCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000578988697 448687283 /nfs/dbraw/zinc/68/72/83/448687283.db2.gz SLILUXHCQOWISW-LEXSJLIMSA-N 0 3 327.388 1.988 20 5 EDBDHN Cc1cc(NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000592242876 448760497 /nfs/dbraw/zinc/76/04/97/448760497.db2.gz ROOVVHPBPWZGNV-LBPRGKRZSA-N 0 3 349.391 1.487 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000592389786 448819494 /nfs/dbraw/zinc/81/94/94/448819494.db2.gz MUCKTQUGVSPVDC-QWRGUYRKSA-N 0 3 331.369 1.190 20 5 EDBDHN Cc1nn(C)cc1[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579891800 448903072 /nfs/dbraw/zinc/90/30/72/448903072.db2.gz HUONUQXIYOHJDQ-WCQYABFASA-N 0 3 334.376 1.727 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCOc3ccc(F)cc32)c1 ZINC000568620894 448895953 /nfs/dbraw/zinc/89/59/53/448895953.db2.gz QPKFRVCAOFRFCK-TZMCWYRMSA-N 0 3 336.323 1.405 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000590012787 449096728 /nfs/dbraw/zinc/09/67/28/449096728.db2.gz YNJMFWGCXJDUMK-FZMZJTMJSA-N 0 3 334.376 1.178 20 5 EDBDHN COc1ccc(NC(=O)CN2CC[C@@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000590012004 449096884 /nfs/dbraw/zinc/09/68/84/449096884.db2.gz NXFCVTLMVOLHNF-ABAIWWIYSA-N 0 3 334.376 1.178 20 5 EDBDHN CN(C)CCN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1=O ZINC000593053134 449115008 /nfs/dbraw/zinc/11/50/08/449115008.db2.gz XMJAXWWEHKNSNK-UHFFFAOYSA-N 0 3 342.346 1.079 20 5 EDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000590443033 449164261 /nfs/dbraw/zinc/16/42/61/449164261.db2.gz JMJKCTABIYPGRU-YOEHRIQHSA-N 0 3 344.415 1.971 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595753293 449148222 /nfs/dbraw/zinc/14/82/22/449148222.db2.gz YLHHTXRUQFPNPL-RDJZCZTQSA-N 0 3 336.388 1.571 20 5 EDBDHN CCCN1CC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000595805611 449177927 /nfs/dbraw/zinc/17/79/27/449177927.db2.gz ISHVVNZUSDJEOO-AWEZNQCLSA-N 0 3 335.408 1.790 20 5 EDBDHN CN(c1ccccc1)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595827929 449190463 /nfs/dbraw/zinc/19/04/63/449190463.db2.gz SCPNZBMHSALDSY-MRXNPFEDSA-N 0 3 342.399 1.967 20 5 EDBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H](CO)[C@H](CO)C2)o1 ZINC000600190841 449236658 /nfs/dbraw/zinc/23/66/58/449236658.db2.gz IUKSCGSAOMSQGP-STQMWFEESA-N 0 3 332.356 1.887 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3cccnc3)CC2)c1 ZINC000611258854 449240361 /nfs/dbraw/zinc/24/03/61/449240361.db2.gz UQNHSBQZXBZDHD-INIZCTEOSA-N 0 3 331.376 1.427 20 5 EDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)[C@H](CN)C(F)(F)F ZINC000595908639 449246625 /nfs/dbraw/zinc/24/66/25/449246625.db2.gz ODOICICUBOLXCX-LDYMZIIASA-N 0 3 334.298 1.743 20 5 EDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611223178 449225233 /nfs/dbraw/zinc/22/52/33/449225233.db2.gz BNRDKPSSGWRTFH-NWDGAFQWSA-N 0 3 335.360 1.370 20 5 EDBDHN CN(C)CCN1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1=O ZINC000593486005 449304692 /nfs/dbraw/zinc/30/46/92/449304692.db2.gz GMYPNNGYQZQBKF-UHFFFAOYSA-N 0 3 343.387 1.353 20 5 EDBDHN Nc1nccc(C(=O)N2CCCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000594285747 449430491 /nfs/dbraw/zinc/43/04/91/449430491.db2.gz BKPWDMCLPFQVMX-LBPRGKRZSA-N 0 3 333.392 1.663 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000598897558 449635640 /nfs/dbraw/zinc/63/56/40/449635640.db2.gz GSVWNBQQPZGEHW-WCQYABFASA-N 0 3 349.391 1.315 20 5 EDBDHN C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000599107132 449739692 /nfs/dbraw/zinc/73/96/92/449739692.db2.gz ZQVRZKXSCYLDLY-RKDXNWHRSA-N 0 3 333.797 1.667 20 5 EDBDHN CC[C@H]1C[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000594918780 449807313 /nfs/dbraw/zinc/80/73/13/449807313.db2.gz SGNLRZWGKDEMFW-YPMHNXCESA-N 0 3 343.405 1.030 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)cc1C ZINC000601421338 449938114 /nfs/dbraw/zinc/93/81/14/449938114.db2.gz FFJQIZQDUVXIHT-CHWSQXEVSA-N 0 3 341.433 1.925 20 5 EDBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601422081 449939944 /nfs/dbraw/zinc/93/99/44/449939944.db2.gz OUQUCELSGFLFAP-MWLCHTKSSA-N 0 3 347.824 1.961 20 5 EDBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609143691 449967804 /nfs/dbraw/zinc/96/78/04/449967804.db2.gz MKNCGUUPNZXZDN-UHFFFAOYSA-N 0 3 326.422 1.647 20 5 EDBDHN CC[C@@H](CN1CCCC1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609851229 450106450 /nfs/dbraw/zinc/10/64/50/450106450.db2.gz XUCRFKYESBFTSE-AWEZNQCLSA-N 0 3 348.403 1.315 20 5 EDBDHN CN(C)CCN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599624631 450112169 /nfs/dbraw/zinc/11/21/69/450112169.db2.gz ZXPHNPLAKOQUGO-UHFFFAOYSA-N 0 3 335.339 1.553 20 5 EDBDHN CCCN1CC[C@H](NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000595447310 450148208 /nfs/dbraw/zinc/14/82/08/450148208.db2.gz GWDFMQKEEZAZFG-ZDUSSCGKSA-N 0 3 336.392 1.887 20 5 EDBDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000613389383 450160774 /nfs/dbraw/zinc/16/07/74/450160774.db2.gz MGJFNYHBCITILG-BLLLJJGKSA-N 0 3 343.383 1.948 20 5 EDBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597653569 450172720 /nfs/dbraw/zinc/17/27/20/450172720.db2.gz LSYQNXBCPOFOIT-VIFPVBQESA-N 0 3 335.282 1.266 20 5 EDBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC000597712981 450216277 /nfs/dbraw/zinc/21/62/77/450216277.db2.gz AROQNQSTWYMSAS-INIZCTEOSA-N 0 3 336.367 1.874 20 5 EDBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000619787977 450334357 /nfs/dbraw/zinc/33/43/57/450334357.db2.gz PWTHFMCLVNQCEU-ZDUSSCGKSA-N 0 3 329.360 1.664 20 5 EDBDHN C[C@H](C[S@](C)=O)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184269713 534140867 /nfs/dbraw/zinc/14/08/67/534140867.db2.gz FAKAQMLMXKJMOP-BGJPBQGDSA-N 0 3 336.417 1.852 20 5 EDBDHN CN(CCN1CCCC1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343434870 517928199 /nfs/dbraw/zinc/92/81/99/517928199.db2.gz YRPDZVXDPKJYAD-UHFFFAOYSA-N 0 3 348.403 1.269 20 5 EDBDHN CCc1n[nH]c(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)c1[N+](=O)[O-] ZINC000195441131 536005582 /nfs/dbraw/zinc/00/55/82/536005582.db2.gz MAFJQACPKBYSOB-ZDUSSCGKSA-N 0 3 345.403 1.783 20 5 EDBDHN CCc1n[nH]c(C(=O)N[C@H](Cc2ccccc2)CN(C)C)c1[N+](=O)[O-] ZINC000195441138 536008036 /nfs/dbraw/zinc/00/80/36/536008036.db2.gz MAFJQACPKBYSOB-CYBMUJFWSA-N 0 3 345.403 1.783 20 5 EDBDHN COc1cc(CCNC(=O)[C@@H](N)CC(F)F)c([N+](=O)[O-])cc1OC ZINC000345710133 536739146 /nfs/dbraw/zinc/73/91/46/536739146.db2.gz KCSAANLMTNTQPF-VIFPVBQESA-N 0 3 347.318 1.253 20 5 EDBDHN COc1cc(C(=O)NCCN2CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000742238754 579444432 /nfs/dbraw/zinc/44/44/32/579444432.db2.gz BBUGEPFFUJZPSO-NSHDSACASA-N 0 3 337.376 1.826 20 5 EDBDHN CC(C)[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735889010 578936321 /nfs/dbraw/zinc/93/63/21/578936321.db2.gz VDVNDCSPBMCQSC-JTQLQIEISA-N 0 3 332.368 1.137 20 5 EDBDHN CC(C)[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735889010 578936324 /nfs/dbraw/zinc/93/63/24/578936324.db2.gz VDVNDCSPBMCQSC-JTQLQIEISA-N 0 3 332.368 1.137 20 5 EDBDHN COCCN1CC[C@H](NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000752100216 579838417 /nfs/dbraw/zinc/83/84/17/579838417.db2.gz AZGQTJVMKNKCNI-HVCHUGMYSA-N 0 3 333.388 1.835 20 5 EDBDHN COC(=O)C[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000754537098 579905805 /nfs/dbraw/zinc/90/58/05/579905805.db2.gz GTMIJPWEWNSJMW-GFCCVEGCSA-N 0 3 335.360 1.773 20 5 EDBDHN CN(C)C1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000763024058 580090077 /nfs/dbraw/zinc/09/00/77/580090077.db2.gz CNHDABRNAPFURE-UHFFFAOYSA-N 0 3 333.392 1.123 20 5 EDBDHN CN1CCC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000771509327 580288192 /nfs/dbraw/zinc/28/81/92/580288192.db2.gz MCQOFUFRYOMOGW-VIFPVBQESA-N 0 3 335.389 1.671 20 5 EDBDHN CS[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000776595885 580423380 /nfs/dbraw/zinc/42/33/80/580423380.db2.gz BUIHAHHTRLPIKF-RRFJBIMHSA-N 0 3 325.434 1.606 20 5 EDBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@]1(CO)CCOC1 ZINC000782531258 580576993 /nfs/dbraw/zinc/57/69/93/580576993.db2.gz OVZGXXCEZUSDEI-OAHLLOKOSA-N 0 3 341.339 1.146 20 5 EDBDHN Cc1ccc([C@@H](O)CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000783908938 580608129 /nfs/dbraw/zinc/60/81/29/580608129.db2.gz DUZDOXNOYNZBBF-WBVHZDCISA-N 0 3 346.383 1.966 20 5 EDBDHN COC(=O)COc1ccc(CNC[C@@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000788968157 580733852 /nfs/dbraw/zinc/73/38/52/580733852.db2.gz VYKNHRPZOMVTIW-ZDUSSCGKSA-N 0 3 336.344 1.929 20 5 EDBDHN Cc1c(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000790293234 580766202 /nfs/dbraw/zinc/76/62/02/580766202.db2.gz VJKXCXAVVLBRSJ-GJZGRUSLSA-N 0 3 348.403 1.566 20 5 EDBDHN CNC(=O)[C@@]1(C)CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000797413338 580974699 /nfs/dbraw/zinc/97/46/99/580974699.db2.gz CIISSESDPZXPRN-KRWDZBQOSA-N 0 3 343.387 1.874 20 5 EDBDHN COc1cc([N+](=O)[O-])cnc1N1CCC(CN2CCOCC2)CC1 ZINC000891861509 590660503 /nfs/dbraw/zinc/66/05/03/590660503.db2.gz OXZVANOEXJZAGO-UHFFFAOYSA-N 0 3 336.392 1.547 20 5 EDBDHN O=[N+]([O-])c1c2nonc2ccc1N1CCC(N2CCCOCC2)CC1 ZINC000894178638 591218600 /nfs/dbraw/zinc/21/86/00/591218600.db2.gz PWCOGBLMIYVFOW-UHFFFAOYSA-N 0 3 347.375 1.822 20 5 EDBDHN CN1C[C@@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000892928928 591228079 /nfs/dbraw/zinc/22/80/79/591228079.db2.gz BVVMSMMILKLFBW-SWLSCSKDSA-N 0 3 334.376 1.319 20 5 EDBDHN COc1ccc(CNCCN2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000895345247 591722858 /nfs/dbraw/zinc/72/28/58/591722858.db2.gz YRYAKPZEOKWCEL-AWEZNQCLSA-N 0 3 348.403 1.983 20 5 EDBDHN CN1CCC(NCc2cn(Cc3c(F)cccc3[N+](=O)[O-])nn2)CC1 ZINC000900525169 592036974 /nfs/dbraw/zinc/03/69/74/592036974.db2.gz CRUSKOBRBHJUPJ-UHFFFAOYSA-N 0 3 348.382 1.558 20 5 EDBDHN CN1CCC(O)(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900898389 592161806 /nfs/dbraw/zinc/16/18/06/592161806.db2.gz AJARQDNPGZCMAP-UHFFFAOYSA-N 0 3 345.758 1.574 20 5 EDBDHN COC[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000905616130 592595100 /nfs/dbraw/zinc/59/51/00/592595100.db2.gz GXOSYKLZZOSPLA-CYBMUJFWSA-N 0 3 344.433 1.877 20 5 EDBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000783915826 593137797 /nfs/dbraw/zinc/13/77/97/593137797.db2.gz MTUUXAUYRABRIY-GFCCVEGCSA-N 0 3 344.375 1.390 20 5 EDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000808160455 593230866 /nfs/dbraw/zinc/23/08/66/593230866.db2.gz MFBQULVWHWCUQB-XSDWHBAISA-N 0 3 331.372 1.276 20 5 EDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1OC ZINC000810045627 593377043 /nfs/dbraw/zinc/37/70/43/593377043.db2.gz RXCGFMGHBNEZCK-UHFFFAOYSA-N 0 3 332.378 1.654 20 5 EDBDHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105400 593517829 /nfs/dbraw/zinc/51/78/29/593517829.db2.gz YSXZVLCBTRMYOB-SMDDNHRTSA-N 0 3 336.344 1.508 20 5 EDBDHN COc1cc(CCC(=O)OCC(C)[N+](=O)[O-])cc(OC)c1OC ZINC000813115206 593518769 /nfs/dbraw/zinc/51/87/69/593518769.db2.gz MSXXBMHBPRIZKW-SNVBAGLBSA-N 0 3 327.333 1.853 20 5 EDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)[N+](=O)[O-] ZINC000813115753 593519113 /nfs/dbraw/zinc/51/91/13/593519113.db2.gz ZDSKHKFLIDUPMZ-PWSUYJOCSA-N 0 3 326.374 1.490 20 5 EDBDHN CS(=O)(=O)[C@@H]1CCC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819095051 593738654 /nfs/dbraw/zinc/73/86/54/593738654.db2.gz RYUMKNYYLDGEMQ-NWANDNLSSA-N 0 3 342.417 1.574 20 5 EDBDHN COCCO[C@@H]1COCC[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819244271 593746477 /nfs/dbraw/zinc/74/64/77/593746477.db2.gz JPCXSXIMEFXVFD-ARFHVFGLSA-N 0 3 340.376 1.038 20 5 EDBDHN CN(CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000825394267 594177961 /nfs/dbraw/zinc/17/79/61/594177961.db2.gz XFEHDVIYYDPIDZ-KRWDZBQOSA-N 0 3 343.383 1.876 20 5 EDBDHN Cc1cc(C(=O)NCC(=O)OCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000825453325 594187080 /nfs/dbraw/zinc/18/70/80/594187080.db2.gz WOVQCANPYLPDLF-UHFFFAOYSA-N 0 3 349.387 1.662 20 5 EDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831416060 594626879 /nfs/dbraw/zinc/62/68/79/594626879.db2.gz KHFOJWYASHXERO-HUUCEWRRSA-N 0 3 335.404 1.865 20 5 EDBDHN CCO[C@@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])CN(C)C ZINC000831777314 594702300 /nfs/dbraw/zinc/70/23/00/594702300.db2.gz WQVXCNAIXYPNPK-LBPRGKRZSA-N 0 3 341.433 1.770 20 5 EDBDHN CCCN(CCN1CCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832383773 594746468 /nfs/dbraw/zinc/74/64/68/594746468.db2.gz DYGDWWUESLSRTJ-INIZCTEOSA-N 0 3 335.404 1.963 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C(=O)NCC2(O)CCN(C)CC2)cc1Cl ZINC000836731392 594991980 /nfs/dbraw/zinc/99/19/80/594991980.db2.gz ACEYNMNDVGFIPM-UHFFFAOYSA-N 0 3 341.795 1.743 20 5 EDBDHN CN(C)C1(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000842221739 595043367 /nfs/dbraw/zinc/04/33/67/595043367.db2.gz VIWLCIPZGWWFRU-UHFFFAOYSA-N 0 3 340.767 1.397 20 5 EDBDHN CC([C@H](OC(=O)CN(C)C(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845874710 595085808 /nfs/dbraw/zinc/08/58/08/595085808.db2.gz IKGGWZMAKDVRMN-BONVTDFDSA-N 0 3 338.335 1.944 20 5 EDBDHN C[C@@]1(F)CNCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843388386 595097542 /nfs/dbraw/zinc/09/75/42/595097542.db2.gz XKLSNJPCEOEXRE-CQSZACIVSA-N 0 3 344.774 1.820 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)c1cc([N+](=O)[O-])ccc1N)CCO2 ZINC000844093835 595270510 /nfs/dbraw/zinc/27/05/10/595270510.db2.gz IVMWPBBQVGPCSG-UHFFFAOYSA-N 0 3 334.376 1.114 20 5 EDBDHN CC(COC(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000860777875 595792982 /nfs/dbraw/zinc/79/29/82/595792982.db2.gz XZHVJLNYIQJCSK-GMTAPVOTSA-N 0 3 334.344 1.790 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1 ZINC000856490167 596004661 /nfs/dbraw/zinc/00/46/61/596004661.db2.gz XETASBOHXUWSBB-ZBFHGGJFSA-N 0 3 346.387 1.544 20 5 EDBDHN O=C1CCCN1C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852680722 596226196 /nfs/dbraw/zinc/22/61/96/596226196.db2.gz YFPZAVURCHCFPU-CZUORRHYSA-N 0 3 333.388 1.573 20 5 EDBDHN CN1CCC(NC(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000865363340 596551771 /nfs/dbraw/zinc/55/17/71/596551771.db2.gz SDXBJBWPZOTGAY-UHFFFAOYSA-N 0 3 343.387 1.669 20 5 EDBDHN Nc1ccc(N[C@@H]2CCCN(CCN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000882988037 597608694 /nfs/dbraw/zinc/60/86/94/597608694.db2.gz XENZHVJDGQIGDP-OAHLLOKOSA-N 0 3 349.435 1.386 20 5 EDBDHN Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000918464247 697168847 /nfs/dbraw/zinc/16/88/47/697168847.db2.gz BALDMJFXGDZSNL-LBPRGKRZSA-N 0 3 348.403 1.832 20 5 EDBDHN O=C(Cc1ncc[nH]1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000997128889 703387660 /nfs/dbraw/zinc/38/76/60/703387660.db2.gz WGEMXYKUDYDSTM-UHFFFAOYSA-N 0 3 349.416 1.703 20 5 EDBDHN Cc1nn(C)c(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000374254256 282270891 /nfs/dbraw/zinc/27/08/91/282270891.db2.gz CWOJWCWZRBHOCM-LBPRGKRZSA-N 0 3 336.440 1.241 20 5 EDBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000561692837 306290052 /nfs/dbraw/zinc/29/00/52/306290052.db2.gz RIOUCILUCWSJKV-HNNXBMFYSA-N 0 3 339.779 1.435 20 5 EDBDHN NC(=O)c1ccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000125221868 138332751 /nfs/dbraw/zinc/33/27/51/138332751.db2.gz DEUPIOZPWVAJCU-KGLIPLIRSA-N 0 3 346.387 1.184 20 5 EDBDHN CN(C)CCn1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])n1 ZINC000173911290 237269241 /nfs/dbraw/zinc/26/92/41/237269241.db2.gz CRAVNMDAMSJLAG-UHFFFAOYSA-N 0 3 332.364 1.675 20 5 EDBDHN CCC(=O)N1CC[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564851284 306367548 /nfs/dbraw/zinc/36/75/48/306367548.db2.gz AZMNKYZWBUCULX-LBPRGKRZSA-N 0 3 334.376 1.524 20 5 EDBDHN Cc1cc(C(=O)N(C)CCCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000110865403 220072559 /nfs/dbraw/zinc/07/25/59/220072559.db2.gz ZNUKJOJFHOCQGZ-UHFFFAOYSA-N 0 3 334.420 1.613 20 5 EDBDHN NCc1cccnc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000416037280 251051345 /nfs/dbraw/zinc/05/13/45/251051345.db2.gz ZZEASXANTHUGBN-UHFFFAOYSA-N 0 3 343.343 1.744 20 5 EDBDHN C[C@@H]1NCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H]1C ZINC000262718420 139298737 /nfs/dbraw/zinc/29/87/37/139298737.db2.gz FAZBEHVBBHXQGU-RYUDHWBXSA-N 0 3 329.360 1.603 20 5 EDBDHN C[C@@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262793729 139303948 /nfs/dbraw/zinc/30/39/48/139303948.db2.gz SKVXSWPCRASILS-LDYMZIIASA-N 0 3 333.797 1.525 20 5 EDBDHN C[C@@H](C[C@@H]1CCCO1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569650472 306514259 /nfs/dbraw/zinc/51/42/59/306514259.db2.gz LCQDZOOJPLVDRC-JSGCOSHPSA-N 0 3 342.417 1.916 20 5 EDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000423487150 252055458 /nfs/dbraw/zinc/05/54/58/252055458.db2.gz VFOMMIKFFJGYFG-MFKMUULPSA-N 0 3 342.346 1.899 20 5 EDBDHN CCCCN(C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000112364047 220314745 /nfs/dbraw/zinc/31/47/45/220314745.db2.gz RPANWTBENDTQPW-UHFFFAOYSA-N 0 3 329.422 1.746 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[C@@H]1N(C)C ZINC000429320088 254508660 /nfs/dbraw/zinc/50/86/60/254508660.db2.gz AFGMOUSNSXBYKS-RYUDHWBXSA-N 0 3 343.405 1.364 20 5 EDBDHN C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccn(C)n1 ZINC000459784078 255001127 /nfs/dbraw/zinc/00/11/27/255001127.db2.gz IXMUYUKYFXIDLB-LLVKDONJSA-N 0 3 345.359 1.977 20 5 EDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@]1(O)CN2CCC1CC2 ZINC000493121942 255192571 /nfs/dbraw/zinc/19/25/71/255192571.db2.gz SHLLBOROSMWGDF-VGOKWCNXSA-N 0 3 331.372 1.181 20 5 EDBDHN CC(COC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)[N+](=O)[O-] ZINC000496094134 255351713 /nfs/dbraw/zinc/35/17/13/255351713.db2.gz PSGMOBOBFZEDBN-TZMCWYRMSA-N 0 3 336.344 1.854 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000118722347 221173423 /nfs/dbraw/zinc/17/34/23/221173423.db2.gz RMQSJRDYNIHOLC-UHFFFAOYSA-N 0 3 347.375 1.048 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000119346401 221300214 /nfs/dbraw/zinc/30/02/14/221300214.db2.gz WMEPAYOLSQTVOS-ZIAGYGMSSA-N 0 3 335.408 1.433 20 5 EDBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000340235594 142315178 /nfs/dbraw/zinc/31/51/78/142315178.db2.gz HQLCBKRCMFZEJR-HNNXBMFYSA-N 0 3 330.388 1.946 20 5 EDBDHN NC(=O)[C@H](Cc1ccc(F)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000342704435 142747608 /nfs/dbraw/zinc/74/76/08/142747608.db2.gz FBABKBWGCCQIMH-INIZCTEOSA-N 0 3 331.347 1.963 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1Cn1ccnn1 ZINC000344402397 142961822 /nfs/dbraw/zinc/96/18/22/142961822.db2.gz XYXWPNLBJVKMDW-UONOGXRCSA-N 0 3 347.375 1.091 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346259934 143184485 /nfs/dbraw/zinc/18/44/85/143184485.db2.gz KGHSPBUSCBNWEI-VNHYZAJKSA-N 0 3 349.435 1.679 20 5 EDBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000347014158 143271603 /nfs/dbraw/zinc/27/16/03/143271603.db2.gz OLWTURQYUSTKDY-CYBMUJFWSA-N 0 3 339.417 1.293 20 5 EDBDHN COc1cc(OCC(=O)N(C)[C@@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000347955751 143383305 /nfs/dbraw/zinc/38/33/05/143383305.db2.gz SZQOMXJALYGJSK-OAHLLOKOSA-N 0 3 349.387 1.535 20 5 EDBDHN CN1CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000357494372 151047495 /nfs/dbraw/zinc/04/74/95/151047495.db2.gz NEPAEBDDBXQZGD-UHFFFAOYSA-N 0 3 338.383 1.030 20 5 EDBDHN CN(C(=O)CN1CC[C@H]2CCN(C)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370148813 155348372 /nfs/dbraw/zinc/34/83/72/155348372.db2.gz CMXMHNIFFKHNPC-CJNGLKHVSA-N 0 3 332.404 1.584 20 5 EDBDHN Cc1ccnc(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000363800573 153060254 /nfs/dbraw/zinc/06/02/54/153060254.db2.gz NOBHANYKCVMCKJ-HNNXBMFYSA-N 0 3 346.391 1.130 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H]4[C@H](CO)[C@H]4C3)o2)c1 ZINC000366400501 153805540 /nfs/dbraw/zinc/80/55/40/153805540.db2.gz KZZPPGFHAJYGKI-FICVDOATSA-N 0 3 329.356 1.962 20 5 EDBDHN Cc1n[nH]c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000352140325 162006165 /nfs/dbraw/zinc/00/61/65/162006165.db2.gz KRYJTJXKNQMGBG-CQSZACIVSA-N 0 3 343.387 1.878 20 5 EDBDHN COCCN(C)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000067273307 287244767 /nfs/dbraw/zinc/24/47/67/287244767.db2.gz PZGVYYPVINIEQM-GQCTYLIASA-N 0 3 325.340 1.442 20 5 EDBDHN O=C(NCc1ccccc1CN1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159141222 225154412 /nfs/dbraw/zinc/15/44/12/225154412.db2.gz SCLMQYDPTHFEJY-UHFFFAOYSA-N 0 3 345.359 1.080 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000160031135 225322367 /nfs/dbraw/zinc/32/23/67/225322367.db2.gz YTUKJXRVCZWVEN-UHFFFAOYSA-N 0 3 343.387 1.723 20 5 EDBDHN O=C(NCCCN1CCc2ccccc2C1)c1[nH]ncc1[N+](=O)[O-] ZINC000159843953 225288615 /nfs/dbraw/zinc/28/86/15/225288615.db2.gz RZMDQVYPZHSOOV-UHFFFAOYSA-N 0 3 329.360 1.496 20 5 EDBDHN O=C(NCCCN1CCc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000159843953 225288618 /nfs/dbraw/zinc/28/86/18/225288618.db2.gz RZMDQVYPZHSOOV-UHFFFAOYSA-N 0 3 329.360 1.496 20 5 EDBDHN Cc1sc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000123099398 222215464 /nfs/dbraw/zinc/21/54/64/222215464.db2.gz SNARSNUGYJTBOV-JTQLQIEISA-N 0 3 345.446 1.727 20 5 EDBDHN CN(C)C1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000275830542 268375708 /nfs/dbraw/zinc/37/57/08/268375708.db2.gz FXSPRBIFKCFWRZ-UHFFFAOYSA-N 0 3 343.387 1.995 20 5 EDBDHN Cc1nn(Cc2ccc(C(=O)NCCN(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000101665133 272918138 /nfs/dbraw/zinc/91/81/38/272918138.db2.gz JSUYKBGPOKVFPW-UHFFFAOYSA-N 0 3 345.403 1.748 20 5 EDBDHN O=C(NCCN1CCCCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278166963 273251056 /nfs/dbraw/zinc/25/10/56/273251056.db2.gz DOAOUPZASVTNOU-UHFFFAOYSA-N 0 3 346.391 1.756 20 5 EDBDHN COC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000279143938 273283194 /nfs/dbraw/zinc/28/31/94/273283194.db2.gz XUVPNDMRZZURSN-BPUTZDHNSA-N 0 3 340.376 1.118 20 5 EDBDHN CN(C)CC1(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000281553235 273490704 /nfs/dbraw/zinc/49/07/04/273490704.db2.gz OFDLEEKGFQIPLA-UHFFFAOYSA-N 0 3 341.433 1.541 20 5 EDBDHN CO[C@@H]1C[C@@H](CO)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000284664599 274285013 /nfs/dbraw/zinc/28/50/13/274285013.db2.gz QJTLGQVTSZJRBF-NWDGAFQWSA-N 0 3 341.339 1.144 20 5 EDBDHN CO[C@@H]1C[C@@H](CO)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000284673325 274288863 /nfs/dbraw/zinc/28/88/63/274288863.db2.gz RCEQNFDZTBURIW-LSDHHAIUSA-N 0 3 347.371 1.874 20 5 EDBDHN C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000373865488 274592542 /nfs/dbraw/zinc/59/25/42/274592542.db2.gz JCNJTFXOLKMWGQ-ZFWWWQNUSA-N 0 3 333.436 1.639 20 5 EDBDHN O=C1[C@@H](N2CCN3CCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246053447 275027730 /nfs/dbraw/zinc/02/77/30/275027730.db2.gz WIVHVFHFPCOHCC-HOTGVXAUSA-N 0 3 330.388 1.480 20 5 EDBDHN CN1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192919722 277198423 /nfs/dbraw/zinc/19/84/23/277198423.db2.gz BEFZUFHURQABFN-AOOOYVTPSA-N 0 3 345.808 1.430 20 5 EDBDHN C[C@]1(F)CNCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000420259783 280164516 /nfs/dbraw/zinc/16/45/16/280164516.db2.gz IDYNHCLHTFHSNW-INIZCTEOSA-N 0 3 336.367 1.625 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000193419343 280654962 /nfs/dbraw/zinc/65/49/62/280654962.db2.gz QAXUXXCYZQABCF-VHSXEESVSA-N 0 3 347.824 1.833 20 5 EDBDHN CN(C)C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000266766786 289198787 /nfs/dbraw/zinc/19/87/87/289198787.db2.gz JDPXYBCFYLGIRR-CQSZACIVSA-N 0 3 336.392 1.109 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000292553112 289379501 /nfs/dbraw/zinc/37/95/01/289379501.db2.gz HRQLUMOXXSUZEM-JTQLQIEISA-N 0 3 331.394 1.079 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CNCCC1(F)F ZINC000420437856 304757877 /nfs/dbraw/zinc/75/78/77/304757877.db2.gz DASSRNNCBLCRFK-LLVKDONJSA-N 0 3 335.332 1.179 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C[NH3+])CC(C)C)c1C ZINC000124234529 301860912 /nfs/dbraw/zinc/86/09/12/301860912.db2.gz ROGCEDXEKMDWSQ-LBPRGKRZSA-N 0 3 329.422 1.863 20 5 EDBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000436719472 305166515 /nfs/dbraw/zinc/16/65/15/305166515.db2.gz DASUYIXTZMEKGO-CQSZACIVSA-N 0 3 343.387 1.701 20 5 EDBDHN O=C(NCCN1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448604757 305299340 /nfs/dbraw/zinc/29/93/40/305299340.db2.gz JDMBQKAGYRDKGD-UHFFFAOYSA-N 0 3 329.360 1.606 20 5 EDBDHN CCc1cccc2c1OCC[C@@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515234200 305717515 /nfs/dbraw/zinc/71/75/15/305717515.db2.gz BIWBFUFDHOIDOA-HOCLYGCPSA-N 0 3 346.387 1.828 20 5 EDBDHN C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000548697226 306135461 /nfs/dbraw/zinc/13/54/61/306135461.db2.gz XYMGJQQXEYKJFI-CYBMUJFWSA-N 0 3 341.433 1.541 20 5 EDBDHN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000552308480 306178902 /nfs/dbraw/zinc/17/89/02/306178902.db2.gz VJSMOMMRGZADPU-VIFPVBQESA-N 0 3 342.783 1.044 20 5 EDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000554013344 306188741 /nfs/dbraw/zinc/18/87/41/306188741.db2.gz UCKBQKXADZAJNT-UKRRQHHQSA-N 0 3 340.401 1.421 20 5 EDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COC[C@H]1CCCO1 ZINC000554835317 306198456 /nfs/dbraw/zinc/19/84/56/306198456.db2.gz SHGGVTULCONOFZ-DLBZAZTESA-N 0 3 338.404 1.626 20 5 EDBDHN Cc1cc(C)c(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000557224589 306226844 /nfs/dbraw/zinc/22/68/44/306226844.db2.gz DDBWHRBUGLNGGV-AWEZNQCLSA-N 0 3 347.371 1.842 20 5 EDBDHN CCOC(=O)c1cc(C(=O)NC[C@@H]2CCCN2CC)cc([N+](=O)[O-])c1 ZINC000044572338 440858264 /nfs/dbraw/zinc/85/82/64/440858264.db2.gz RZNMDWCZACAHLM-AWEZNQCLSA-N 0 3 349.387 1.986 20 5 EDBDHN CN1CCC(O)(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080880955 441203354 /nfs/dbraw/zinc/20/33/54/441203354.db2.gz MXXYJRVJUFEWJE-UHFFFAOYSA-N 0 3 339.417 1.260 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC(N)=O)C1CCCC1 ZINC000063504360 441334194 /nfs/dbraw/zinc/33/41/94/441334194.db2.gz JJVHODVBCVBNIG-UHFFFAOYSA-N 0 3 348.403 1.962 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000029179827 441449341 /nfs/dbraw/zinc/44/93/41/441449341.db2.gz WRFMFCMPYPBRCZ-MRXNPFEDSA-N 0 3 343.387 1.745 20 5 EDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000066483799 441537652 /nfs/dbraw/zinc/53/76/52/441537652.db2.gz HFSALNZUZWMZFS-QGZVFWFLSA-N 0 3 337.420 1.498 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000075717468 441552041 /nfs/dbraw/zinc/55/20/41/441552041.db2.gz NKYSNTAMKXNTTH-BBRMVZONSA-N 0 3 334.351 1.781 20 5 EDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)CN1CCN(C)CC1 ZINC000114379673 441650911 /nfs/dbraw/zinc/65/09/11/441650911.db2.gz UVAXDZABLKKHDT-LBPRGKRZSA-N 0 3 338.383 1.347 20 5 EDBDHN [NH3+][C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000038050087 441613574 /nfs/dbraw/zinc/61/35/74/441613574.db2.gz YQDDXKRBFNOKJU-NXEZZACHSA-N 0 3 333.797 1.796 20 5 EDBDHN CCN1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000041873579 441681294 /nfs/dbraw/zinc/68/12/94/441681294.db2.gz RPSYBTJDBCCGKV-UHFFFAOYSA-N 0 3 336.392 1.570 20 5 EDBDHN CC(C)N1CC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000069000784 441878549 /nfs/dbraw/zinc/87/85/49/441878549.db2.gz BSYDZMOXPWAQMH-SNVBAGLBSA-N 0 3 328.394 1.137 20 5 EDBDHN C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CN1CCCC1 ZINC000119787909 441951480 /nfs/dbraw/zinc/95/14/80/441951480.db2.gz BLYNXLGVVMRHGU-CYBMUJFWSA-N 0 3 341.433 1.746 20 5 EDBDHN CNc1nc(C(=O)NC2CCN(C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000456710151 447443372 /nfs/dbraw/zinc/44/33/72/447443372.db2.gz ZPXRKGPZGYLSAY-UHFFFAOYSA-N 0 3 333.392 1.778 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000125208526 441996186 /nfs/dbraw/zinc/99/61/86/441996186.db2.gz CBICKYFXIOKMIU-NEPJUHHUSA-N 0 3 327.406 1.760 20 5 EDBDHN C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N(C)Cc1ccccc1 ZINC000119993796 441990140 /nfs/dbraw/zinc/99/01/40/441990140.db2.gz RLSWTKPMKRQROZ-GFCCVEGCSA-N 0 3 331.376 1.579 20 5 EDBDHN C[C@H]1CCCN(C(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000176209018 442191152 /nfs/dbraw/zinc/19/11/52/442191152.db2.gz QVHZNFNENATMAS-AWEZNQCLSA-N 0 3 349.435 1.762 20 5 EDBDHN COC(=O)CNC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153257155 442271123 /nfs/dbraw/zinc/27/11/23/442271123.db2.gz MPMCMEVQSXPIJW-UHFFFAOYSA-N 0 3 335.360 1.239 20 5 EDBDHN CN(C)[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000170863743 442278369 /nfs/dbraw/zinc/27/83/69/442278369.db2.gz SDNOXZGYGREPHJ-AWEZNQCLSA-N 0 3 332.404 1.971 20 5 EDBDHN CCN1CCC(N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154707234 442353146 /nfs/dbraw/zinc/35/31/46/442353146.db2.gz JMNRMWNFGARYLB-UHFFFAOYSA-N 0 3 348.403 1.267 20 5 EDBDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171900203 442388806 /nfs/dbraw/zinc/38/88/06/442388806.db2.gz JTEMXPZTXFRYKA-CQSZACIVSA-N 0 3 336.392 1.505 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCN(C2CC2)CC1 ZINC000172347133 442448150 /nfs/dbraw/zinc/44/81/50/442448150.db2.gz QIFMXVZHDWEVHY-UHFFFAOYSA-N 0 3 348.403 1.712 20 5 EDBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000191710534 442494922 /nfs/dbraw/zinc/49/49/22/442494922.db2.gz MRRSMQWRMMQOEF-HBNTYKKESA-N 0 3 325.365 1.943 20 5 EDBDHN C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H](c1ccccc1)N(C)C ZINC000186473801 442542148 /nfs/dbraw/zinc/54/21/48/442542148.db2.gz VKKUJBVMHPBAHT-FZMZJTMJSA-N 0 3 331.376 1.750 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000192027696 442573313 /nfs/dbraw/zinc/57/33/13/442573313.db2.gz VOBZFOZEBIAHOU-LBPRGKRZSA-N 0 3 343.405 1.399 20 5 EDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173237840 442629554 /nfs/dbraw/zinc/62/95/54/442629554.db2.gz VSLCCXIRZASYBI-FZMZJTMJSA-N 0 3 327.406 1.556 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000268167515 442881054 /nfs/dbraw/zinc/88/10/54/442881054.db2.gz DQYDQZADHVOIQB-OCCSQVGLSA-N 0 3 332.404 1.630 20 5 EDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000268186567 442889759 /nfs/dbraw/zinc/88/97/59/442889759.db2.gz MFPVNLHOHRJTOF-YMTOWFKASA-N 0 3 329.360 1.684 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000183327845 318522389 /nfs/dbraw/zinc/52/23/89/318522389.db2.gz GTUYZEOHGPDOLD-UHFFFAOYSA-N 0 3 346.431 1.643 20 5 EDBDHN COc1cc(C(=O)N2CCN3CCC[C@H]3C2)cc([N+](=O)[O-])c1OC ZINC000265933912 442974827 /nfs/dbraw/zinc/97/48/27/442974827.db2.gz GRNODYZARVQSFS-LBPRGKRZSA-N 0 3 335.360 1.532 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000265990676 442995980 /nfs/dbraw/zinc/99/59/80/442995980.db2.gz MBRIKGLAKGEBCS-NEPJUHHUSA-N 0 3 349.387 1.921 20 5 EDBDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000184570737 443040739 /nfs/dbraw/zinc/04/07/39/443040739.db2.gz MIJKTVXFBZYDLS-TZMCWYRMSA-N 0 3 341.433 1.839 20 5 EDBDHN C[C@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184803178 443078384 /nfs/dbraw/zinc/07/83/84/443078384.db2.gz VJTXKLTZPKEOSR-SDDRHHMPSA-N 0 3 334.376 1.556 20 5 EDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000266520108 443155042 /nfs/dbraw/zinc/15/50/42/443155042.db2.gz ZMOYYOZGFLFWGD-SKDRFNHKSA-N 0 3 326.303 1.781 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2c(c1)CNCC2 ZINC000269182209 443225114 /nfs/dbraw/zinc/22/51/14/443225114.db2.gz DVGJJAMZCVJCOU-UHFFFAOYSA-N 0 3 328.328 1.041 20 5 EDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CCN(C)CC2)c1 ZINC000266697651 443211449 /nfs/dbraw/zinc/21/14/49/443211449.db2.gz FBEFDOHYSFJRDX-UHFFFAOYSA-N 0 3 339.417 1.503 20 5 EDBDHN CCc1[n-]nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000351239968 319097958 /nfs/dbraw/zinc/09/79/58/319097958.db2.gz IBLOAIDCUFQSJA-BONVTDFDSA-N 0 3 348.363 1.856 20 5 EDBDHN CCc1[n-]nc(-c2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000351239968 319097959 /nfs/dbraw/zinc/09/79/59/319097959.db2.gz IBLOAIDCUFQSJA-BONVTDFDSA-N 0 3 348.363 1.856 20 5 EDBDHN O=C(N[C@H](CO)CN1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413805025 319291129 /nfs/dbraw/zinc/29/11/29/319291129.db2.gz ZTQXLPJCTGXBJX-BHYGNILZSA-N 0 3 347.415 1.661 20 5 EDBDHN Cc1cc(S(=O)(=O)N2C[C@H](N)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000416429552 319423822 /nfs/dbraw/zinc/42/38/22/319423822.db2.gz ZFOOHHIYLYUZKZ-CYBMUJFWSA-N 0 3 347.396 1.982 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266956253 443302578 /nfs/dbraw/zinc/30/25/78/443302578.db2.gz VNQSYZVAIYXKJT-UKRRQHHQSA-N 0 3 346.387 1.937 20 5 EDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000269594436 443359210 /nfs/dbraw/zinc/35/92/10/443359210.db2.gz NLXFLJLIIXESPZ-GFCCVEGCSA-N 0 3 325.340 1.311 20 5 EDBDHN Cc1n[nH]c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000264769097 443415883 /nfs/dbraw/zinc/41/58/83/443415883.db2.gz OCJKWNGSYXPPLN-NSHDSACASA-N 0 3 331.376 1.877 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420446330 319620569 /nfs/dbraw/zinc/62/05/69/319620569.db2.gz BCWOJDDXAQSJSA-DTWKUNHWSA-N 0 3 347.368 1.148 20 5 EDBDHN COc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000273040022 443525995 /nfs/dbraw/zinc/52/59/95/443525995.db2.gz WACGUKQLRUMDCX-LLVKDONJSA-N 0 3 349.387 1.992 20 5 EDBDHN COCCN(CCOC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283572446 443663871 /nfs/dbraw/zinc/66/38/71/443663871.db2.gz QMWDEMGPANHQNX-UHFFFAOYSA-N 0 3 325.365 1.518 20 5 EDBDHN O=C(CCN1CC[C@@H]2NC(=O)OC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000493603743 320395955 /nfs/dbraw/zinc/39/59/55/320395955.db2.gz CFPLFKJBSHHYMH-RISCZKNCSA-N 0 3 348.359 1.354 20 5 EDBDHN C[C@H]1CN(CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CCCO1 ZINC000290970254 443724021 /nfs/dbraw/zinc/72/40/21/443724021.db2.gz PSWNYHNCKSPDTI-NSHDSACASA-N 0 3 337.380 1.002 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCCN1S(C)(=O)=O ZINC000537943698 320739953 /nfs/dbraw/zinc/73/99/53/320739953.db2.gz XLGPVGXLAVLRNK-TZMCWYRMSA-N 0 3 341.433 1.978 20 5 EDBDHN C[C@@H](NCC1(OCCO)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285344417 443949579 /nfs/dbraw/zinc/94/95/79/443949579.db2.gz UXXUMRILCFKGCZ-GFCCVEGCSA-N 0 3 339.392 1.386 20 5 EDBDHN CN1CC[C@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285707465 444079454 /nfs/dbraw/zinc/07/94/54/444079454.db2.gz JDHVQYGPIDIRMZ-HZPDHXFCSA-N 0 3 333.388 1.459 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1(CCO)CCN(C)CC1 ZINC000563417494 321110028 /nfs/dbraw/zinc/11/00/28/321110028.db2.gz MPBHWGGZVSVMKY-UHFFFAOYSA-N 0 3 337.420 1.930 20 5 EDBDHN C[C@@H]1CCN(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000565190145 321175743 /nfs/dbraw/zinc/17/57/43/321175743.db2.gz UXUOYBTXBIWMGV-CHWSQXEVSA-N 0 3 333.392 1.344 20 5 EDBDHN CN(c1ncc([N+](=O)[O-])cn1)C1CCN(CCc2ccccn2)CC1 ZINC000302157806 444206406 /nfs/dbraw/zinc/20/64/06/444206406.db2.gz NOVVNKMKFLVWND-UHFFFAOYSA-N 0 3 342.403 1.923 20 5 EDBDHN CN(CCCN(C)c1nccc(C(N)=O)c1[N+](=O)[O-])Cc1ccco1 ZINC000290543243 444293520 /nfs/dbraw/zinc/29/35/20/444293520.db2.gz AQXQVHZCMPGRCK-UHFFFAOYSA-N 0 3 347.375 1.640 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(C(F)(F)F)c2)c1 ZINC000324417505 444354258 /nfs/dbraw/zinc/35/42/58/444354258.db2.gz XMGUGJLSHIUNTI-CYBMUJFWSA-N 0 3 344.293 1.961 20 5 EDBDHN C[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CN1C1CC1 ZINC000290834709 444328567 /nfs/dbraw/zinc/32/85/67/444328567.db2.gz VBWDPPJXNGATHX-KOLCDFICSA-N 0 3 340.405 1.279 20 5 EDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000581007350 322123355 /nfs/dbraw/zinc/12/33/55/322123355.db2.gz IGZXLKNINZQLTG-KOZAUXTDSA-N 0 3 340.376 1.117 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)C[C@H]1C ZINC000343778053 444584820 /nfs/dbraw/zinc/58/48/20/444584820.db2.gz IBQKDUDHTAWSDH-GFCCVEGCSA-N 0 3 336.392 1.568 20 5 EDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](OC)C[C@H]1CN1CCCC1 ZINC000340955857 444596593 /nfs/dbraw/zinc/59/65/93/444596593.db2.gz JUOCRWFJDWWFDB-KBPBESRZSA-N 0 3 337.424 1.809 20 5 EDBDHN CC[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000341026061 444639824 /nfs/dbraw/zinc/63/98/24/444639824.db2.gz ILMZKKKRXOFLNV-FZMZJTMJSA-N 0 3 335.360 1.596 20 5 EDBDHN Cc1sc(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000342518769 444728508 /nfs/dbraw/zinc/72/85/08/444728508.db2.gz WGNGTNYSYFFZRU-GZMMTYOYSA-N 0 3 333.435 1.535 20 5 EDBDHN COCCN(C)CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342933136 444950376 /nfs/dbraw/zinc/95/03/76/444950376.db2.gz XENJVSCEHAQVGO-UHFFFAOYSA-N 0 3 334.376 1.774 20 5 EDBDHN CCN1CCN(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342921496 444942176 /nfs/dbraw/zinc/94/21/76/444942176.db2.gz PRKKKUGMZUJZPX-UHFFFAOYSA-N 0 3 345.403 1.443 20 5 EDBDHN CCCN1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330766292 445132540 /nfs/dbraw/zinc/13/25/40/445132540.db2.gz UUEFNFBVKZRQNS-UHFFFAOYSA-N 0 3 341.433 1.995 20 5 EDBDHN C[C@H]1[C@@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCCN1C ZINC000343561614 445244384 /nfs/dbraw/zinc/24/43/84/445244384.db2.gz QHIJLJZDTIKIFY-JQWIXIFHSA-N 0 3 348.359 1.102 20 5 EDBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000348384988 445273003 /nfs/dbraw/zinc/27/30/03/445273003.db2.gz SXXMPQBZCUEZFH-CYBMUJFWSA-N 0 3 348.359 1.477 20 5 EDBDHN C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]2)cc1 ZINC000348384988 445273006 /nfs/dbraw/zinc/27/30/06/445273006.db2.gz SXXMPQBZCUEZFH-CYBMUJFWSA-N 0 3 348.359 1.477 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)c1 ZINC000351902344 445364001 /nfs/dbraw/zinc/36/40/01/445364001.db2.gz IOWIHUXADLFYJC-BXUZGUMPSA-N 0 3 341.433 1.782 20 5 EDBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000349812269 445686489 /nfs/dbraw/zinc/68/64/89/445686489.db2.gz OVYABNDHDSZTET-ZDUSSCGKSA-N 0 3 343.449 1.785 20 5 EDBDHN COC(=O)COc1ccc(CN[C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000353771887 445748228 /nfs/dbraw/zinc/74/82/28/445748228.db2.gz BVQBLIVIDDQEDT-GFCCVEGCSA-N 0 3 348.359 1.521 20 5 EDBDHN CN(C)CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356450497 445796770 /nfs/dbraw/zinc/79/67/70/445796770.db2.gz VNPVXCAFQWNEOM-UHFFFAOYSA-N 0 3 347.375 1.199 20 5 EDBDHN COc1ccc(OCCN(CCO)[C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000361587839 445834925 /nfs/dbraw/zinc/83/49/25/445834925.db2.gz XBRDODWIUQRPLV-TZMCWYRMSA-N 0 3 340.376 1.454 20 5 EDBDHN Cc1nn(C)c(N2CCC[C@H](CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000361816146 445970173 /nfs/dbraw/zinc/97/01/73/445970173.db2.gz UGDHTUHJUPVNLH-CQSZACIVSA-N 0 3 336.440 1.101 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000356734480 445976425 /nfs/dbraw/zinc/97/64/25/445976425.db2.gz VYBRNXTUPNTDNJ-UHFFFAOYSA-N 0 3 344.375 1.370 20 5 EDBDHN COc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1O ZINC000582959555 325967982 /nfs/dbraw/zinc/96/79/82/325967982.db2.gz FFMGXJWZLMELSS-AWEZNQCLSA-N 0 3 348.355 1.839 20 5 EDBDHN COC(=O)[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000373185371 446085123 /nfs/dbraw/zinc/08/51/23/446085123.db2.gz ZPCRCTHUJBREMC-HUUCEWRRSA-N 0 3 334.372 1.903 20 5 EDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362288669 446307380 /nfs/dbraw/zinc/30/73/80/446307380.db2.gz QMPOEDLSPCDXAE-IAQYHMDHSA-N 0 3 348.359 1.978 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366865835 446388583 /nfs/dbraw/zinc/38/85/83/446388583.db2.gz DMKUNMOSFZVFHG-UKRRQHHQSA-N 0 3 346.387 1.442 20 5 EDBDHN CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370830731 446466073 /nfs/dbraw/zinc/46/60/73/446466073.db2.gz OVLSPTOCLMZRFD-ZDUSSCGKSA-N 0 3 336.392 1.428 20 5 EDBDHN COC[C@@](C)(CCO)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411335315 446498496 /nfs/dbraw/zinc/49/84/96/446498496.db2.gz QESYGGURFZMOCE-OAHLLOKOSA-N 0 3 325.365 1.301 20 5 EDBDHN NCc1cn([C@@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420385524 446560445 /nfs/dbraw/zinc/56/04/45/446560445.db2.gz SYSFLFMLASXWAD-MRXNPFEDSA-N 0 3 330.392 1.525 20 5 EDBDHN C[C@@]1(F)CNCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000420343951 446516876 /nfs/dbraw/zinc/51/68/76/446516876.db2.gz XHUUTMIHVNSTLB-OAHLLOKOSA-N 0 3 335.339 1.778 20 5 EDBDHN Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375092144 446574376 /nfs/dbraw/zinc/57/43/76/446574376.db2.gz XIFOABIEKCAYMP-CYBMUJFWSA-N 0 3 348.403 1.952 20 5 EDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000420975481 446947829 /nfs/dbraw/zinc/94/78/29/446947829.db2.gz RCEGHPXFTPKGCA-UHFFFAOYSA-N 0 3 341.433 1.995 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377173167 446970218 /nfs/dbraw/zinc/97/02/18/446970218.db2.gz CRKMUVHYJYFABD-KGLIPLIRSA-N 0 3 334.376 1.888 20 5 EDBDHN COc1ccc(NC(=O)CCN2C[C@H](O)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000421011521 446986442 /nfs/dbraw/zinc/98/64/42/446986442.db2.gz JCZVRFZIYDKSPW-NWDGAFQWSA-N 0 3 337.376 1.777 20 5 EDBDHN NC(=O)C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000444682118 447120994 /nfs/dbraw/zinc/12/09/94/447120994.db2.gz YUCHHCIOXFURTM-CYBMUJFWSA-N 0 3 347.375 1.231 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421309167 447122645 /nfs/dbraw/zinc/12/26/45/447122645.db2.gz RAMRQXKWTBWKRU-ZDUSSCGKSA-N 0 3 348.403 1.703 20 5 EDBDHN CNc1nc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000456027399 447287224 /nfs/dbraw/zinc/28/72/24/447287224.db2.gz GRXOXZATPALDSQ-LLVKDONJSA-N 0 3 333.392 1.588 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCCN3CCCO)c21 ZINC000450598787 447534098 /nfs/dbraw/zinc/53/40/98/447534098.db2.gz RELDMIHNURVZBP-LBPRGKRZSA-N 0 3 331.376 1.797 20 5 EDBDHN CO[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451486766 447735289 /nfs/dbraw/zinc/73/52/89/447735289.db2.gz DWWDWHRQENSGIK-KGLIPLIRSA-N 0 3 342.417 1.772 20 5 EDBDHN CCO[C@@H]1COC[C@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451939057 447792723 /nfs/dbraw/zinc/79/27/23/447792723.db2.gz PHTJSDJZGVPPCJ-HUUCEWRRSA-N 0 3 337.376 1.625 20 5 EDBDHN CSc1ccc(C(=O)NC[C@@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000431394451 447801363 /nfs/dbraw/zinc/80/13/63/447801363.db2.gz YPOXDOMIYDWDQF-HNNXBMFYSA-N 0 3 341.433 1.749 20 5 EDBDHN COC1(C(=O)OCC(C)[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000496850651 447968026 /nfs/dbraw/zinc/96/80/26/447968026.db2.gz XUPMSGCVHNFGOO-NSHDSACASA-N 0 3 346.380 1.611 20 5 EDBDHN CC(COC(=O)[C@H](NC(=O)OC(C)(C)C)c1cscn1)[N+](=O)[O-] ZINC000497076708 448178966 /nfs/dbraw/zinc/17/89/66/448178966.db2.gz MBPDKEVVHFZBFD-PSASIEDQSA-N 0 3 345.377 1.917 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000591028756 448239735 /nfs/dbraw/zinc/23/97/35/448239735.db2.gz DWZKTWWRMZTIPJ-IUODEOHRSA-N 0 3 346.387 1.313 20 5 EDBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000591460932 448371668 /nfs/dbraw/zinc/37/16/68/448371668.db2.gz ZYNLFRBOSVUFEX-GFCCVEGCSA-N 0 3 334.376 1.359 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccccc2CO)c1 ZINC000516571057 448441138 /nfs/dbraw/zinc/44/11/38/448441138.db2.gz LZWDDJXBTFIINO-INIZCTEOSA-N 0 3 332.356 1.617 20 5 EDBDHN CNc1nccc(C(=O)N2CCCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000516582007 448444216 /nfs/dbraw/zinc/44/42/16/448444216.db2.gz LFKVRRRFJVWNEL-ZDUSSCGKSA-N 0 3 347.419 2.122 20 5 EDBDHN Cc1c(CC(=O)NC[C@]2(O)CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000516986769 448517805 /nfs/dbraw/zinc/51/78/05/448517805.db2.gz VVTJCRNKXOCTNX-KRWDZBQOSA-N 0 3 333.388 1.019 20 5 EDBDHN CCN1CCN(CCCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000567104312 448613767 /nfs/dbraw/zinc/61/37/67/448613767.db2.gz SBEZMTWETUWKDX-HNNXBMFYSA-N 0 3 348.447 1.842 20 5 EDBDHN CC(C)Oc1nc(N[C@@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000584790896 448635321 /nfs/dbraw/zinc/63/53/21/448635321.db2.gz XAERCXRBMVCKSW-CYBMUJFWSA-N 0 3 338.408 2.036 20 5 EDBDHN O=C(CCN1CCC[C@]12CCNC2=O)Nc1ccccc1[N+](=O)[O-] ZINC000519646476 448810495 /nfs/dbraw/zinc/81/04/95/448810495.db2.gz LRDWMXNSPHVMPZ-MRXNPFEDSA-N 0 3 332.360 1.278 20 5 EDBDHN CC(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)S(C)(=O)=O ZINC000579523129 448812605 /nfs/dbraw/zinc/81/26/05/448812605.db2.gz JUCXLVGNSIDRSA-SECBINFHSA-N 0 3 339.373 1.168 20 5 EDBDHN CNc1nccc(C(=O)N(CC(C)C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000581833593 448986114 /nfs/dbraw/zinc/98/61/14/448986114.db2.gz QNCQHHVLKYKHNY-UHFFFAOYSA-N 0 3 349.435 2.224 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000575113446 449038085 /nfs/dbraw/zinc/03/80/85/449038085.db2.gz ZDLCTTOTGZKAEQ-RBSFLKMASA-N 0 3 340.401 1.526 20 5 EDBDHN CN1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])s1)CCO2 ZINC000592898968 449042233 /nfs/dbraw/zinc/04/22/33/449042233.db2.gz PIYJVSKTMAEIJN-UHFFFAOYSA-N 0 3 325.390 1.593 20 5 EDBDHN COc1ccc(NC(=O)CN2CC[C@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000590012008 449096460 /nfs/dbraw/zinc/09/64/60/449096460.db2.gz NXFCVTLMVOLHNF-NHYWBVRUSA-N 0 3 334.376 1.178 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000590044778 449099310 /nfs/dbraw/zinc/09/93/10/449099310.db2.gz NJIDQYMUTSZNDL-CJNGLKHVSA-N 0 3 328.372 1.712 20 5 EDBDHN COc1ccc(CN(C)C)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000603959619 449165748 /nfs/dbraw/zinc/16/57/48/449165748.db2.gz IVEJTMJYFFWLSH-UHFFFAOYSA-N 0 3 333.348 1.500 20 5 EDBDHN CN1C[C@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000590446592 449166767 /nfs/dbraw/zinc/16/67/67/449166767.db2.gz UYKMYEHMMUMJSZ-WBMJQRKESA-N 0 3 341.371 1.557 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCCCN1CCO ZINC000593732624 449167502 /nfs/dbraw/zinc/16/75/02/449167502.db2.gz PLYLXIIBSRFWLJ-AWEZNQCLSA-N 0 3 339.367 1.239 20 5 EDBDHN Cc1c(CC(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000590399843 449147325 /nfs/dbraw/zinc/14/73/25/449147325.db2.gz PGHOWBNXHDTNEE-IRXDYDNUSA-N 0 3 347.415 1.767 20 5 EDBDHN Cc1sc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590400706 449148688 /nfs/dbraw/zinc/14/86/88/449148688.db2.gz YGFIJSAYLOUVND-WCQYABFASA-N 0 3 339.417 1.900 20 5 EDBDHN Cc1cccc(C(=O)N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000590400621 449148732 /nfs/dbraw/zinc/14/87/32/449148732.db2.gz WXNYBVNHGMTZSI-UHFFFAOYSA-N 0 3 332.404 1.223 20 5 EDBDHN Cc1sc(C(=O)N2CC(CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000590400577 449148923 /nfs/dbraw/zinc/14/89/23/449148923.db2.gz YDFOICHEQHNCJB-UHFFFAOYSA-N 0 3 338.433 1.284 20 5 EDBDHN O=C1CCCN1C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595831882 449196051 /nfs/dbraw/zinc/19/60/51/449196051.db2.gz MJPTZYSJXUUCGB-CQSZACIVSA-N 0 3 333.388 1.918 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590590192 449205233 /nfs/dbraw/zinc/20/52/33/449205233.db2.gz VKGVXLSMMGBDEG-YPMHNXCESA-N 0 3 327.406 1.616 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000590566214 449193709 /nfs/dbraw/zinc/19/37/09/449193709.db2.gz VOOCOORTUDGNTL-JKSUJKDBSA-N 0 3 333.388 1.838 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000611242529 449234500 /nfs/dbraw/zinc/23/45/00/449234500.db2.gz OJBZGBXGOLAIHB-OAHLLOKOSA-N 0 3 348.403 1.522 20 5 EDBDHN COc1ccc(NC(=O)CNC2(CO)CCCCC2)c([N+](=O)[O-])c1 ZINC000611462863 449297609 /nfs/dbraw/zinc/29/76/09/449297609.db2.gz GRWRRECLTMWMRF-UHFFFAOYSA-N 0 3 337.376 1.827 20 5 EDBDHN Cc1c(CN)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)nn1C ZINC000595962359 449284265 /nfs/dbraw/zinc/28/42/65/449284265.db2.gz QBLBRIGTFYPJCS-UHFFFAOYSA-N 0 3 344.375 1.922 20 5 EDBDHN CCCN1CC[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000598342757 449356625 /nfs/dbraw/zinc/35/66/25/449356625.db2.gz PXAHGCBOJLBRRF-ZDUSSCGKSA-N 0 3 343.387 1.995 20 5 EDBDHN CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000598341833 449357325 /nfs/dbraw/zinc/35/73/25/449357325.db2.gz GQFKVAAIWLVPIW-AWEZNQCLSA-N 0 3 343.387 1.995 20 5 EDBDHN CN(CCCN1CCN(C)CC1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611704725 449387797 /nfs/dbraw/zinc/38/77/97/449387797.db2.gz DAPSRCPKSJGOQP-UHFFFAOYSA-N 0 3 344.419 1.612 20 5 EDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000598536811 449452739 /nfs/dbraw/zinc/45/27/39/449452739.db2.gz XZRFHAYFUFBRLL-GFCCVEGCSA-N 0 3 337.376 1.903 20 5 EDBDHN CC(C)[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000598571942 449470450 /nfs/dbraw/zinc/47/04/50/449470450.db2.gz CNJIPXTYIWCADR-DOMZBBRYSA-N 0 3 348.403 1.170 20 5 EDBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CNCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598714717 449558676 /nfs/dbraw/zinc/55/86/76/449558676.db2.gz JKDJFBUJHYIPSU-JOYOIKCWSA-N 0 3 327.406 1.488 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H](C)[NH+](C)C)cc1C ZINC000594816737 449725304 /nfs/dbraw/zinc/72/53/04/449725304.db2.gz KFONHXRRBXYHKE-GFCCVEGCSA-N 0 3 329.422 1.830 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[NH2+]C12CCC2 ZINC000599108393 449740894 /nfs/dbraw/zinc/74/08/94/449740894.db2.gz RJNJYDKORURJQH-LBPRGKRZSA-N 0 3 325.390 1.466 20 5 EDBDHN COC1CCN(CCNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000617746241 449812890 /nfs/dbraw/zinc/81/28/90/449812890.db2.gz IAENETPSEFNGIK-CYBMUJFWSA-N 0 3 335.404 1.925 20 5 EDBDHN CC(C)c1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594878343 449791265 /nfs/dbraw/zinc/79/12/65/449791265.db2.gz ZUPZNLFVUWINMI-JSGCOSHPSA-N 0 3 346.387 1.102 20 5 EDBDHN CCN(CC)C(=O)C1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602767453 449792664 /nfs/dbraw/zinc/79/26/64/449792664.db2.gz WHPPGVNCDXSGDS-UHFFFAOYSA-N 0 3 337.424 1.680 20 5 EDBDHN N[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260708 449983183 /nfs/dbraw/zinc/98/31/83/449983183.db2.gz JSVMMBFQQXEFAB-GHMZBOCLSA-N 0 3 346.156 1.869 20 5 EDBDHN COCCN1CCC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000609268876 449996216 /nfs/dbraw/zinc/99/62/16/449996216.db2.gz HCHRJCPEQRMIPA-CYBMUJFWSA-N 0 3 336.392 1.234 20 5 EDBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000615297194 450051758 /nfs/dbraw/zinc/05/17/58/450051758.db2.gz WHUVAFHHTKSEOK-ZIAGYGMSSA-N 0 3 327.406 1.497 20 5 EDBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609675416 450083776 /nfs/dbraw/zinc/08/37/76/450083776.db2.gz REZDLOXQASVAEW-LLVKDONJSA-N 0 3 345.396 1.696 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639098 450120920 /nfs/dbraw/zinc/12/09/20/450120920.db2.gz YCJSEQLRVLVABB-JJRVBVJISA-N 0 3 336.388 1.429 20 5 EDBDHN O=C(N1CCN2C[C@H](O)C[C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601659676 450148269 /nfs/dbraw/zinc/14/82/69/450148269.db2.gz XLDSPJMEQPAMJX-JKSUJKDBSA-N 0 3 345.399 1.294 20 5 EDBDHN COc1ccc([C@H](NCCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cn1 ZINC000599701219 450164475 /nfs/dbraw/zinc/16/44/75/450164475.db2.gz RZDDEWDLFRLWSL-QGZVFWFLSA-N 0 3 344.371 1.901 20 5 EDBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](CO)CN(C)C ZINC000597655685 450174644 /nfs/dbraw/zinc/17/46/44/450174644.db2.gz ZYVGHAZSAUFAQC-ONGXEEELSA-N 0 3 345.783 1.054 20 5 EDBDHN COc1ccc(NC(=O)CNC2(CCO)CCCC2)c([N+](=O)[O-])c1 ZINC000595509399 450195892 /nfs/dbraw/zinc/19/58/92/450195892.db2.gz SSUBZIIHYMWOJJ-UHFFFAOYSA-N 0 3 337.376 1.827 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cnc[nH]1 ZINC000595591644 450251494 /nfs/dbraw/zinc/25/14/94/450251494.db2.gz AAKUSOUGHIBWCE-UHFFFAOYSA-N 0 3 333.348 1.787 20 5 EDBDHN CN1CCN(CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603626515 450337135 /nfs/dbraw/zinc/33/71/35/450337135.db2.gz LHCXRDDBIBEHLW-UHFFFAOYSA-N 0 3 334.420 1.281 20 5 EDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000618924577 450342235 /nfs/dbraw/zinc/34/22/35/450342235.db2.gz ZKTJJVWEFORKAR-KRWDZBQOSA-N 0 3 335.404 1.443 20 5 EDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000610886914 450369798 /nfs/dbraw/zinc/36/97/98/450369798.db2.gz FHFRHDILNYTQFC-CYBMUJFWSA-N 0 3 337.376 1.905 20 5 EDBDHN Cc1cc(OCC(=O)Nc2cnn(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000619528356 450499280 /nfs/dbraw/zinc/49/92/80/450499280.db2.gz BDECWSUNEYPWFM-UHFFFAOYSA-N 0 3 347.375 1.679 20 5 EDBDHN CC(C)(C)N(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000128966369 526279482 /nfs/dbraw/zinc/27/94/82/526279482.db2.gz AFYJYRZXXHEMFA-UHFFFAOYSA-N 0 3 340.355 1.648 20 5 EDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000173988848 528290426 /nfs/dbraw/zinc/29/04/26/528290426.db2.gz URMOPFVCPWKVOB-JTQLQIEISA-N 0 3 333.435 1.761 20 5 EDBDHN CC[C@@H](NCCNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000346796579 535803951 /nfs/dbraw/zinc/80/39/51/535803951.db2.gz QZVIIESXUKUQJX-CQSZACIVSA-N 0 3 329.360 1.856 20 5 EDBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCCN1C ZINC000346140634 535950891 /nfs/dbraw/zinc/95/08/91/535950891.db2.gz UCUITRPLIPRVQN-NEPJUHHUSA-N 0 3 338.412 1.038 20 5 EDBDHN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[C@@H](N2CC=CC2)C1 ZINC000742164289 579437314 /nfs/dbraw/zinc/43/73/14/579437314.db2.gz YWPMDFNXXZUWAQ-CYBMUJFWSA-N 0 3 342.355 1.094 20 5 EDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000725899034 578302970 /nfs/dbraw/zinc/30/29/70/578302970.db2.gz ZJEHXBCGVJXYIT-STQMWFEESA-N 0 3 344.371 1.669 20 5 EDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729498506 578576999 /nfs/dbraw/zinc/57/69/99/578576999.db2.gz OXJSHFYRDFSRNW-HUUCEWRRSA-N 0 3 334.376 1.257 20 5 EDBDHN O=C([C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000750069632 579750997 /nfs/dbraw/zinc/75/09/97/579750997.db2.gz XSRGFHWBAIKEFB-RDJZCZTQSA-N 0 3 347.415 1.963 20 5 EDBDHN COC(=O)C[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000754529269 579905616 /nfs/dbraw/zinc/90/56/16/579905616.db2.gz XJSLMPLJQNCYCO-CQSZACIVSA-N 0 3 335.360 1.773 20 5 EDBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000762206579 580069677 /nfs/dbraw/zinc/06/96/77/580069677.db2.gz KCWQVSVHQSNUIE-CQSZACIVSA-N 0 3 334.376 1.363 20 5 EDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000771793371 580294167 /nfs/dbraw/zinc/29/41/67/580294167.db2.gz BBLFNPGDQFCDIW-GWCFXTLKSA-N 0 3 337.376 1.681 20 5 EDBDHN CCOc1ccc(NC(=O)CN[C@@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000771800167 580294371 /nfs/dbraw/zinc/29/43/71/580294371.db2.gz GUIDCCRLQOMYEV-ZDUSSCGKSA-N 0 3 337.376 1.683 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000776578566 580421977 /nfs/dbraw/zinc/42/19/77/580421977.db2.gz GKTCFTHPCNSSII-QZTJIDSGSA-N 0 3 349.431 1.815 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000781995990 580562995 /nfs/dbraw/zinc/56/29/95/580562995.db2.gz SMWRGWAHGNMUAK-WBMJQRKESA-N 0 3 346.387 1.546 20 5 EDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000893045969 590633351 /nfs/dbraw/zinc/63/33/51/590633351.db2.gz BWIXQRCPALFGOP-DOMZBBRYSA-N 0 3 337.399 1.591 20 5 EDBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCCN1CCC(O)CC1 ZINC000891904700 590680268 /nfs/dbraw/zinc/68/02/68/590680268.db2.gz KTIXWDFYLUQWFH-UHFFFAOYSA-N 0 3 348.378 1.963 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000892204532 590862176 /nfs/dbraw/zinc/86/21/76/590862176.db2.gz ZJWFZGHZRZBSNC-BXUZGUMPSA-N 0 3 334.376 1.449 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1C ZINC000896708631 591588589 /nfs/dbraw/zinc/58/85/89/591588589.db2.gz VOYWXHQPGDWOTD-CYBMUJFWSA-N 0 3 348.447 1.825 20 5 EDBDHN O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@H]3CCCN4CCO)c21 ZINC000897221635 591776652 /nfs/dbraw/zinc/77/66/52/591776652.db2.gz NYHXVZUEJMAKSQ-ZIAGYGMSSA-N 0 3 343.387 1.573 20 5 EDBDHN CN(C)CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000807265098 593157607 /nfs/dbraw/zinc/15/76/07/593157607.db2.gz CXDIEAZBLLZZRH-UHFFFAOYSA-N 0 3 331.376 1.497 20 5 EDBDHN CC(COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000813103513 593517696 /nfs/dbraw/zinc/51/76/96/593517696.db2.gz CKRQFMJZJKHCNH-ZETCQYMHSA-N 0 3 335.143 1.932 20 5 EDBDHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104839 593517762 /nfs/dbraw/zinc/51/77/62/593517762.db2.gz SFSDTGSBTGGPDA-SNVBAGLBSA-N 0 3 342.373 1.258 20 5 EDBDHN CC(COC(=O)Cc1csc(NC(=O)c2ccco2)n1)[N+](=O)[O-] ZINC000813103607 593517909 /nfs/dbraw/zinc/51/79/09/593517909.db2.gz RJCHCTCZPKUFEM-QMMMGPOBSA-N 0 3 339.329 1.739 20 5 EDBDHN CC(COC(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813112634 593518862 /nfs/dbraw/zinc/51/88/62/593518862.db2.gz RVZOMTCFOZYCAF-VHSXEESVSA-N 0 3 333.337 1.444 20 5 EDBDHN CC(COC(=O)CNC(=O)Cc1cccc2ccccc21)[N+](=O)[O-] ZINC000813114212 593518884 /nfs/dbraw/zinc/51/88/84/593518884.db2.gz NQCBYMZBQQRWNN-LBPRGKRZSA-N 0 3 330.340 1.707 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000819718141 593764773 /nfs/dbraw/zinc/76/47/73/593764773.db2.gz RMDLEUVCZGIKIO-XJKSGUPXSA-N 0 3 343.387 1.497 20 5 EDBDHN Nc1ccc(NC(=O)NC[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000823932802 593889936 /nfs/dbraw/zinc/88/99/36/593889936.db2.gz FCSZAIQLLPEUHY-LBPRGKRZSA-N 0 3 337.380 1.145 20 5 EDBDHN O=c1cc(-c2nc(N3CCNCC3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000823309232 594183376 /nfs/dbraw/zinc/18/33/76/594183376.db2.gz DOAMJBGHEPCIRS-UHFFFAOYSA-N 0 3 342.315 1.308 20 5 EDBDHN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000825760244 594240321 /nfs/dbraw/zinc/24/03/21/594240321.db2.gz FUOPRIWPDGUNRI-HZPDHXFCSA-N 0 3 333.388 1.715 20 5 EDBDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841195536 594866802 /nfs/dbraw/zinc/86/68/02/594866802.db2.gz XEUPJJNURHSQAS-JTQLQIEISA-N 0 3 342.783 1.820 20 5 EDBDHN CC([C@H](OC(=O)CCCS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874016 595084966 /nfs/dbraw/zinc/08/49/66/595084966.db2.gz GLAYVWOFRRGKBJ-YGRLFVJLSA-N 0 3 347.364 1.900 20 5 EDBDHN CC([C@@H](OC(=O)CCc1cnn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845883259 595087553 /nfs/dbraw/zinc/08/75/53/595087553.db2.gz REOMFPCSKAPTQZ-MEBBXXQBSA-N 0 3 336.323 1.837 20 5 EDBDHN Cc1cc(F)cc(C(=O)N2CCC[C@](O)(CN(C)C)C2)c1[N+](=O)[O-] ZINC000834565310 595163652 /nfs/dbraw/zinc/16/36/52/595163652.db2.gz SROLXGULXVXVOC-INIZCTEOSA-N 0 3 339.367 1.571 20 5 EDBDHN Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842708328 595175605 /nfs/dbraw/zinc/17/56/05/595175605.db2.gz LBXRIJMBGVVDBL-JTQLQIEISA-N 0 3 347.824 1.835 20 5 EDBDHN C[C@@H]1C[NH2+]CC[C@H]1[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766415 595600680 /nfs/dbraw/zinc/60/06/80/595600680.db2.gz NKPPTPNKZHEIPU-BXKDBHETSA-N 0 3 329.303 1.681 20 5 EDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000855809906 595828504 /nfs/dbraw/zinc/82/85/04/595828504.db2.gz OVHMKGNTCRHCOI-LLVKDONJSA-N 0 3 333.392 1.709 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000858632683 595851457 /nfs/dbraw/zinc/85/14/57/595851457.db2.gz QJAPMKSQFVCKQW-NXEZZACHSA-N 0 3 347.824 1.975 20 5 EDBDHN COC(=O)N(C)CCN(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000852571243 596200835 /nfs/dbraw/zinc/20/08/35/596200835.db2.gz MNSZLTOJKRGXBR-UHFFFAOYSA-N 0 3 325.365 1.994 20 5 EDBDHN CC[C@H](NC[C@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1 ZINC000866555815 596249999 /nfs/dbraw/zinc/24/99/99/596249999.db2.gz OLMSMQOYWWABFT-DOTOQJQBSA-N 0 3 349.387 1.263 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCNCCC1(C)C ZINC000866804188 596356183 /nfs/dbraw/zinc/35/61/83/596356183.db2.gz CXJWCWGDLGPPDB-UHFFFAOYSA-N 0 3 327.406 1.666 20 5 EDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000119346053 596521406 /nfs/dbraw/zinc/52/14/06/596521406.db2.gz UCKDFAWQYBQKMJ-INIZCTEOSA-N 0 3 344.371 1.999 20 5 EDBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000867807698 596560506 /nfs/dbraw/zinc/56/05/06/596560506.db2.gz KCSVPRCFJROZOD-RISCZKNCSA-N 0 3 325.390 1.310 20 5 EDBDHN CCN1CCC(N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000863499875 596600748 /nfs/dbraw/zinc/60/07/48/596600748.db2.gz KFUKWOKAIYWLEF-QGZVFWFLSA-N 0 3 346.387 1.846 20 5 EDBDHN CCN(CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000863503617 596602963 /nfs/dbraw/zinc/60/29/63/596602963.db2.gz NRGWZNQBHRIPEZ-QGZVFWFLSA-N 0 3 346.387 1.846 20 5 EDBDHN C[C@@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000872878367 597107373 /nfs/dbraw/zinc/10/73/73/597107373.db2.gz RLJUIMCXCUWRDU-MCIONIFRSA-N 0 3 348.403 1.818 20 5 EDBDHN CN(CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C)c1ccccc1[N+](=O)[O-] ZINC000874836358 597191193 /nfs/dbraw/zinc/19/11/93/597191193.db2.gz GEZVJZYGZYLREF-CABCVRRESA-N 0 3 332.404 1.726 20 5 EDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874848286 597199942 /nfs/dbraw/zinc/19/99/42/597199942.db2.gz RMDOPMLGJBSSDD-HZPDHXFCSA-N 0 3 332.404 1.970 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878427958 597601011 /nfs/dbraw/zinc/60/10/11/597601011.db2.gz IUEVYSILSVKIEI-LLVKDONJSA-N 0 3 335.360 1.580 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCNCCC23CCC3)c([N+](=O)[O-])s1 ZINC000883479391 597768359 /nfs/dbraw/zinc/76/83/59/597768359.db2.gz WWJXNRWZBZSXIV-UHFFFAOYSA-N 0 3 345.446 1.871 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879245263 597863561 /nfs/dbraw/zinc/86/35/61/597863561.db2.gz XCAWDLOLTLDQKC-WMZOPIPTSA-N 0 3 343.383 1.955 20 5 EDBDHN Cc1[nH]cnc1CC(=O)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001031313318 696642083 /nfs/dbraw/zinc/64/20/83/696642083.db2.gz JCKKOXIRKHAJED-UHFFFAOYSA-N 0 3 329.360 1.169 20 5 EDBDHN CC(C)c1cnc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000996442018 702771370 /nfs/dbraw/zinc/77/13/70/702771370.db2.gz UOYUFUAIASQHFB-CHWSQXEVSA-N 0 3 336.392 1.544 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000173611817 230984432 /nfs/dbraw/zinc/98/44/32/230984432.db2.gz ZVEALFOERJFPAG-ZDUSSCGKSA-N 0 3 348.403 1.560 20 5 EDBDHN CC1(C)CCN(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000563385241 306331230 /nfs/dbraw/zinc/33/12/30/306331230.db2.gz SUZWTPYHMQRMMM-ZDUSSCGKSA-N 0 3 347.419 1.735 20 5 EDBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000247668188 283161057 /nfs/dbraw/zinc/16/10/57/283161057.db2.gz ZAVKDCCYGHQRPZ-STQMWFEESA-N 0 3 339.417 1.700 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000089952301 138276409 /nfs/dbraw/zinc/27/64/09/138276409.db2.gz WTGUKESJWIFHEI-TZMCWYRMSA-N 0 3 326.422 1.778 20 5 EDBDHN COCc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000090394473 138278281 /nfs/dbraw/zinc/27/82/81/138278281.db2.gz JXHVLRWUYKEAML-YPMHNXCESA-N 0 3 331.376 1.998 20 5 EDBDHN NC(=O)c1ccc(CN2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000362776232 283376513 /nfs/dbraw/zinc/37/65/13/283376513.db2.gz UDHKQOTVVYCPPW-CQSZACIVSA-N 0 3 333.388 1.942 20 5 EDBDHN CCN(CC)C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565298882 306381123 /nfs/dbraw/zinc/38/11/23/306381123.db2.gz ATQBNTAWKBHTIK-ZDUSSCGKSA-N 0 3 343.449 1.688 20 5 EDBDHN COc1ccc(CN2CCC[C@@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000415119964 304161216 /nfs/dbraw/zinc/16/12/16/304161216.db2.gz FOVTZQVTFYCGQE-CQSZACIVSA-N 0 3 346.391 1.491 20 5 EDBDHN COCCN(C)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237259447 139045841 /nfs/dbraw/zinc/04/58/41/139045841.db2.gz LHMWRGGJCIGKLC-UHFFFAOYSA-N 0 3 347.419 1.663 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000360118796 284573525 /nfs/dbraw/zinc/57/35/25/284573525.db2.gz RQSXYLUEANNLKI-KBPBESRZSA-N 0 3 339.417 1.863 20 5 EDBDHN C[C@@H](CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000248466060 139165558 /nfs/dbraw/zinc/16/55/58/139165558.db2.gz SBUKYCCOUDXSAQ-CMPLNLGQSA-N 0 3 325.394 1.344 20 5 EDBDHN Cc1nn(C)c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249893672 139199669 /nfs/dbraw/zinc/19/96/69/139199669.db2.gz UQGJWRJPAXACPK-IJLUTSLNSA-N 0 3 337.424 1.733 20 5 EDBDHN COc1cc(CNCCCCS(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000424176587 252154270 /nfs/dbraw/zinc/15/42/70/252154270.db2.gz YCRBMHQMIZBOIC-UHFFFAOYSA-N 0 3 346.405 1.526 20 5 EDBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636590 304243972 /nfs/dbraw/zinc/24/39/72/304243972.db2.gz YAIPMBHXFFSCNE-PELKAZGASA-N 0 3 326.328 1.968 20 5 EDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@]1(O)CN2CCC1CC2 ZINC000493492533 255211802 /nfs/dbraw/zinc/21/18/02/255211802.db2.gz SJVFNGYXEGXTBT-RTRPANQVSA-N 0 3 331.372 1.181 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000154697323 224291334 /nfs/dbraw/zinc/29/13/34/224291334.db2.gz WCIKKQYHRKIHTC-OCCSQVGLSA-N 0 3 341.433 1.839 20 5 EDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000184355906 533580805 /nfs/dbraw/zinc/58/08/05/533580805.db2.gz SZBDZGBIQZWSSZ-KIUWMYQTSA-N 0 3 346.431 1.750 20 5 EDBDHN COCCN1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000271737394 140341744 /nfs/dbraw/zinc/34/17/44/140341744.db2.gz VLHDTAHBJCBDLR-STQMWFEESA-N 0 3 336.392 1.676 20 5 EDBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c1 ZINC000332057091 141116159 /nfs/dbraw/zinc/11/61/59/141116159.db2.gz PATKBMNFKKUTBQ-HUUCEWRRSA-N 0 3 339.417 1.641 20 5 EDBDHN CCNC(=O)[C@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000339320966 142013982 /nfs/dbraw/zinc/01/39/82/142013982.db2.gz IDMYMJOCNHJGRD-OAHLLOKOSA-N 0 3 339.392 1.733 20 5 EDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000346157636 143173487 /nfs/dbraw/zinc/17/34/87/143173487.db2.gz CETYCOSWEFSVFC-HUBLWGQQSA-N 0 3 332.404 1.979 20 5 EDBDHN Cc1ncc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000346333083 143192966 /nfs/dbraw/zinc/19/29/66/143192966.db2.gz RHVOLQYVMWDTKU-SNVBAGLBSA-N 0 3 345.359 1.906 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)N(C)C1 ZINC000346708078 143235602 /nfs/dbraw/zinc/23/56/02/143235602.db2.gz QKYDLCXKZYLOGI-NWDGAFQWSA-N 0 3 347.375 1.262 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000416507972 304326767 /nfs/dbraw/zinc/32/67/67/304326767.db2.gz MVHZASZHJXLJHG-UHFFFAOYSA-N 0 3 349.384 1.361 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CSC[C@H]1C ZINC000352818011 149180133 /nfs/dbraw/zinc/18/01/33/149180133.db2.gz SGYZNHTWUCNXNF-SKDRFNHKSA-N 0 3 325.390 1.883 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](COC(F)F)C1 ZINC000353016982 149254077 /nfs/dbraw/zinc/25/40/77/149254077.db2.gz AUDSAFJRVFINSH-RYUDHWBXSA-N 0 3 346.330 1.896 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000353211488 149326098 /nfs/dbraw/zinc/32/60/98/149326098.db2.gz UFBQKZAWOGKMRM-VCGICTTQSA-N 0 3 344.389 1.003 20 5 EDBDHN O=C([C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)N1CCCCCC1 ZINC000370031145 155290898 /nfs/dbraw/zinc/29/08/98/155290898.db2.gz YQFKBJWWZQHOAV-HNNXBMFYSA-N 0 3 349.435 1.906 20 5 EDBDHN Cc1noc(CCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000357723287 151126601 /nfs/dbraw/zinc/12/66/01/151126601.db2.gz BGFCMYSJAIXKIW-LBPRGKRZSA-N 0 3 332.364 1.800 20 5 EDBDHN CC1(CO)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000358051129 151247622 /nfs/dbraw/zinc/24/76/22/151247622.db2.gz RABUCPMPUVOORG-UHFFFAOYSA-N 0 3 349.387 1.987 20 5 EDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358061739 151252802 /nfs/dbraw/zinc/25/28/02/151252802.db2.gz HCQYRFXRGCARDX-ABAIWWIYSA-N 0 3 339.417 1.258 20 5 EDBDHN CSc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358067454 151255505 /nfs/dbraw/zinc/25/55/05/151255505.db2.gz PRQNEUFDDALACZ-AWEZNQCLSA-N 0 3 325.390 1.113 20 5 EDBDHN CS(=O)(=O)NC[C@H]1CCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000337286841 286619094 /nfs/dbraw/zinc/61/90/94/286619094.db2.gz MPIZWSTWITVARB-MNOVXSKESA-N 0 3 333.435 1.464 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375301459 157541609 /nfs/dbraw/zinc/54/16/09/157541609.db2.gz GOAOAEXURLFEGD-PBHICJAKSA-N 0 3 346.387 1.489 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)n1 ZINC000378399368 158163847 /nfs/dbraw/zinc/16/38/47/158163847.db2.gz FRFPUJFYKFPLTQ-GFCCVEGCSA-N 0 3 335.408 1.855 20 5 EDBDHN Cc1c(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000365185036 162353306 /nfs/dbraw/zinc/35/33/06/162353306.db2.gz MLJVCIPTJNZGOY-CHWSQXEVSA-N 0 3 334.376 1.888 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000160241868 225368871 /nfs/dbraw/zinc/36/88/71/225368871.db2.gz GXUKZQVALDRGIV-AAEUAGOBSA-N 0 3 328.376 1.899 20 5 EDBDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273719419 268077145 /nfs/dbraw/zinc/07/71/45/268077145.db2.gz RJSYCIOIADNFMK-LBPRGKRZSA-N 0 3 327.406 1.308 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000274951622 268248094 /nfs/dbraw/zinc/24/80/94/268248094.db2.gz HDCNVYUGOARGQF-UHFFFAOYSA-N 0 3 345.407 1.599 20 5 EDBDHN COC(=O)c1cc(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000274541316 273094501 /nfs/dbraw/zinc/09/45/01/273094501.db2.gz VZVNEBMXAGDANB-CQSZACIVSA-N 0 3 349.387 1.984 20 5 EDBDHN O=C(CN[C@H]1CCC(=O)NC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000282839140 273726027 /nfs/dbraw/zinc/72/60/27/273726027.db2.gz RIGUAFPJJAHVPJ-ZDUSSCGKSA-N 0 3 332.360 1.324 20 5 EDBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000345873703 273952328 /nfs/dbraw/zinc/95/23/28/273952328.db2.gz IFADKNSPOQVJQY-GDLCADMTSA-N 0 3 334.376 1.426 20 5 EDBDHN CO[C@@H]1C[C@@H](CN(C)c2ncnc3sc([N+](=O)[O-])cc32)N(C)C1 ZINC000343308380 274069237 /nfs/dbraw/zinc/06/92/37/274069237.db2.gz YKMFHAVTOZTPLF-VHSXEESVSA-N 0 3 337.405 1.755 20 5 EDBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363875497 274352699 /nfs/dbraw/zinc/35/26/99/274352699.db2.gz ZTDNLUSGJLPPFV-YUELXQCFSA-N 0 3 348.403 1.609 20 5 EDBDHN CO[C@H]1C[C@@H](CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])N(C)C1 ZINC000284841642 274354814 /nfs/dbraw/zinc/35/48/14/274354814.db2.gz OGHYIOSTAXWRRI-STQMWFEESA-N 0 3 336.392 1.184 20 5 EDBDHN C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000373865484 274362168 /nfs/dbraw/zinc/36/21/68/274362168.db2.gz JCNJTFXOLKMWGQ-HIFRSBDPSA-N 0 3 333.436 1.639 20 5 EDBDHN CCOC(=O)N1CCC[C@H]([C@H](C)NCc2c([N+](=O)[O-])ncn2C)C1 ZINC000495544353 276283365 /nfs/dbraw/zinc/28/33/65/276283365.db2.gz UVWKAMZYSCCJHV-RYUDHWBXSA-N 0 3 339.396 1.675 20 5 EDBDHN CCS(=O)(=O)N(C)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178644521 276389901 /nfs/dbraw/zinc/38/99/01/276389901.db2.gz KROGWEBBLNQAPD-LBPRGKRZSA-N 0 3 329.422 1.917 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000368591208 277143500 /nfs/dbraw/zinc/14/35/00/277143500.db2.gz MCHPRDOJBZICHJ-YGRLFVJLSA-N 0 3 334.332 1.669 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000355206848 277216423 /nfs/dbraw/zinc/21/64/23/277216423.db2.gz CBRKURPCSWZUNL-UHFFFAOYSA-N 0 3 335.364 1.121 20 5 EDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000286324579 287982616 /nfs/dbraw/zinc/98/26/16/287982616.db2.gz JLOCFXNLBDIFNV-HOTGVXAUSA-N 0 3 347.415 1.849 20 5 EDBDHN Cc1cccc(C(=O)N2CCCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000363333765 278910292 /nfs/dbraw/zinc/91/02/92/278910292.db2.gz OFYDOBJLGCOWKY-UHFFFAOYSA-N 0 3 334.420 1.613 20 5 EDBDHN Cn1cc(CNCC(C)(C)OCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000288465091 288492255 /nfs/dbraw/zinc/49/22/55/288492255.db2.gz OKEMDTFYVRVOFL-UHFFFAOYSA-N 0 3 348.403 1.872 20 5 EDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000291761769 289173574 /nfs/dbraw/zinc/17/35/74/289173574.db2.gz LRDRHNXYNOKVNS-QMTHXVAHSA-N 0 3 340.355 1.653 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000291855257 289197748 /nfs/dbraw/zinc/19/77/48/289197748.db2.gz IFXSOYJCXSGLTM-OAHLLOKOSA-N 0 3 339.417 1.620 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H]1CCCN1C ZINC000422017301 447309970 /nfs/dbraw/zinc/30/99/70/447309970.db2.gz HRQHDECJHWCGLW-SWLSCSKDSA-N 0 3 348.403 1.266 20 5 EDBDHN CCCc1n[nH]c(C(=O)NCc2ccc3cncn3c2)c1[N+](=O)[O-] ZINC000297235016 303376720 /nfs/dbraw/zinc/37/67/20/303376720.db2.gz NNVPLXHJXYNNMA-UHFFFAOYSA-N 0 3 328.332 1.848 20 5 EDBDHN COC(=O)[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429399715 305029854 /nfs/dbraw/zinc/02/98/54/305029854.db2.gz NLHPLULPUGNNLB-ZFWWWQNUSA-N 0 3 349.387 1.713 20 5 EDBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440856347 305213431 /nfs/dbraw/zinc/21/34/31/305213431.db2.gz HBPCUWPHMDPBTP-RKDXNWHRSA-N 0 3 347.368 1.291 20 5 EDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)N(C)C ZINC000448680537 305301302 /nfs/dbraw/zinc/30/13/02/305301302.db2.gz IRRYPEWFOIFOSF-SNVBAGLBSA-N 0 3 327.406 1.359 20 5 EDBDHN CCN(CC)S(=O)(=O)CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449139712 305307600 /nfs/dbraw/zinc/30/76/00/305307600.db2.gz BBFDHNOOJJBCBG-ZDUSSCGKSA-N 0 3 343.449 1.787 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000449698555 305317387 /nfs/dbraw/zinc/31/73/87/305317387.db2.gz NGVWNBFIEZOJOR-INIZCTEOSA-N 0 3 346.431 1.690 20 5 EDBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCN2CCC1CC2 ZINC000451286127 305336383 /nfs/dbraw/zinc/33/63/83/305336383.db2.gz NDHNTEHCNKHRFE-UHFFFAOYSA-N 0 3 341.371 1.905 20 5 EDBDHN COc1ccc(NC(=O)CN[C@@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451499644 305349762 /nfs/dbraw/zinc/34/97/62/305349762.db2.gz NQMNLNGAIDZNJO-ZIAGYGMSSA-N 0 3 337.376 1.945 20 5 EDBDHN COCCOC[C@@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545999 305352570 /nfs/dbraw/zinc/35/25/70/305352570.db2.gz IMKDOBWDHJZCDW-WBVHZDCISA-N 0 3 338.404 1.798 20 5 EDBDHN COc1cccc(C(=O)NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000452349256 305391352 /nfs/dbraw/zinc/39/13/52/305391352.db2.gz BIBPKMRDLMYLCQ-LBPRGKRZSA-N 0 3 337.376 1.180 20 5 EDBDHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000536020984 306019175 /nfs/dbraw/zinc/01/91/75/306019175.db2.gz VKCNBDXMTRIKGR-OAHLLOKOSA-N 0 3 328.372 1.893 20 5 EDBDHN CCN1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000046947899 441139652 /nfs/dbraw/zinc/13/96/52/441139652.db2.gz HNAIKTHKVMHKFK-GFCCVEGCSA-N 0 3 335.408 1.054 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000104748715 441203881 /nfs/dbraw/zinc/20/38/81/441203881.db2.gz NWPQXLMZRSXYIE-GFCCVEGCSA-N 0 3 327.406 1.475 20 5 EDBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000074137636 441398388 /nfs/dbraw/zinc/39/83/88/441398388.db2.gz QEWMJSMBNXQWQM-AWEZNQCLSA-N 0 3 334.420 1.137 20 5 EDBDHN COc1cc(C(=O)NC2CCN(C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000029090038 441444804 /nfs/dbraw/zinc/44/48/04/441444804.db2.gz GHFSWADIGACYSL-UHFFFAOYSA-N 0 3 349.387 1.969 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108618568 441470699 /nfs/dbraw/zinc/47/06/99/441470699.db2.gz BKYAWEOWVPWDMA-ZDUSSCGKSA-N 0 3 346.387 1.442 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000065901181 441492688 /nfs/dbraw/zinc/49/26/88/441492688.db2.gz YAUJBXCDWRXCSB-HNNXBMFYSA-N 0 3 345.403 1.827 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000030496602 441494755 /nfs/dbraw/zinc/49/47/55/441494755.db2.gz BYDZCOAJZRFADO-UHFFFAOYSA-N 0 3 348.384 1.501 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(NCCCCN2CCN(CCO)CC2)c1 ZINC000088723268 441517896 /nfs/dbraw/zinc/51/78/96/441517896.db2.gz IRNUXHFUFDRPOI-UHFFFAOYSA-N 0 3 336.436 1.705 20 5 EDBDHN CN(CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000066923892 441588917 /nfs/dbraw/zinc/58/89/17/441588917.db2.gz DTKZURSJRWPRFT-UHFFFAOYSA-N 0 3 343.387 1.819 20 5 EDBDHN Cc1cccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000114141029 441637258 /nfs/dbraw/zinc/63/72/58/441637258.db2.gz VGJRHJZVJBPOIK-ZDUSSCGKSA-N 0 3 334.420 1.517 20 5 EDBDHN Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000041668574 441667553 /nfs/dbraw/zinc/66/75/53/441667553.db2.gz MKEBCNIGELFGMG-GFCCVEGCSA-N 0 3 348.403 1.690 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C[NH3+] ZINC000173336694 441717114 /nfs/dbraw/zinc/71/71/14/441717114.db2.gz IZZWLPFYVNZWDE-PWSUYJOCSA-N 0 3 343.405 1.399 20 5 EDBDHN Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000115586301 441762197 /nfs/dbraw/zinc/76/21/97/441762197.db2.gz QENSFRIYAKZJLJ-ZDUSSCGKSA-N 0 3 341.433 1.866 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115585755 441762583 /nfs/dbraw/zinc/76/25/83/441762583.db2.gz PNVMONBPUBOSSN-CYBMUJFWSA-N 0 3 341.433 1.866 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000173718376 441829212 /nfs/dbraw/zinc/82/92/12/441829212.db2.gz WRHPTYOLYQPFAL-AWEZNQCLSA-N 0 3 334.420 1.517 20 5 EDBDHN CC(C)[C@@H](CCO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161928335 442045899 /nfs/dbraw/zinc/04/58/99/442045899.db2.gz JNYWKEHPHJAEFZ-CQSZACIVSA-N 0 3 330.406 1.365 20 5 EDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000120517784 442087444 /nfs/dbraw/zinc/08/74/44/442087444.db2.gz QHLJRRPJNJEQLY-NWDGAFQWSA-N 0 3 328.390 1.383 20 5 EDBDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000120756878 442127716 /nfs/dbraw/zinc/12/77/16/442127716.db2.gz YUFFPRZDFMWREZ-YPMHNXCESA-N 0 3 334.376 1.474 20 5 EDBDHN CCN1CCN(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170639541 442239744 /nfs/dbraw/zinc/23/97/44/442239744.db2.gz UJCRGWQDKYUCQJ-UHFFFAOYSA-N 0 3 347.419 1.529 20 5 EDBDHN C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000177446034 442342655 /nfs/dbraw/zinc/34/26/55/442342655.db2.gz BVFNBNLQNGNRGN-ZFWWWQNUSA-N 0 3 343.387 1.571 20 5 EDBDHN CN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2cnccc21 ZINC000155775910 442425842 /nfs/dbraw/zinc/42/58/42/442425842.db2.gz AVNDGYLNLZQHSS-UHFFFAOYSA-N 0 3 348.384 1.776 20 5 EDBDHN O=C1CCCN1C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000179548860 442473801 /nfs/dbraw/zinc/47/38/01/442473801.db2.gz XBDVHGXWJQNGCD-HNNXBMFYSA-N 0 3 343.387 1.745 20 5 EDBDHN CC1CCN(CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000180454710 442604348 /nfs/dbraw/zinc/60/43/48/442604348.db2.gz TVNRMBCCNJDPFE-UHFFFAOYSA-N 0 3 335.360 1.785 20 5 EDBDHN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000135515436 442605978 /nfs/dbraw/zinc/60/59/78/442605978.db2.gz GBDAOHSHPKFKFW-LLVKDONJSA-N 0 3 329.360 1.495 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000193282676 442729052 /nfs/dbraw/zinc/72/90/52/442729052.db2.gz ARPVYVSFRHCAEY-GFCCVEGCSA-N 0 3 329.422 1.863 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](O)[C@H](C)C1 ZINC000249597594 442993280 /nfs/dbraw/zinc/99/32/80/442993280.db2.gz XGVPARRIUVHVPK-BXUZGUMPSA-N 0 3 337.376 1.635 20 5 EDBDHN Cc1nc(NCc2ccnc(OCCN(C)C)c2)ncc1[N+](=O)[O-] ZINC000297446812 318764950 /nfs/dbraw/zinc/76/49/50/318764950.db2.gz JCFAKHNFBHACSL-UHFFFAOYSA-N 0 3 332.364 1.641 20 5 EDBDHN COCCN(CCOC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266543042 443162650 /nfs/dbraw/zinc/16/26/50/443162650.db2.gz QVWLHROLIURJAL-UHFFFAOYSA-N 0 3 328.365 1.577 20 5 EDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@H]1CNCCO1 ZINC000269207283 443233098 /nfs/dbraw/zinc/23/30/98/443233098.db2.gz MPNLHFCNYNRLLU-GFCCVEGCSA-N 0 3 327.768 1.585 20 5 EDBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c1 ZINC000185677728 443237003 /nfs/dbraw/zinc/23/70/03/443237003.db2.gz WGIVXWQRCZWEIU-NSHDSACASA-N 0 3 325.390 1.357 20 5 EDBDHN C[C@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262737624 443209533 /nfs/dbraw/zinc/20/95/33/443209533.db2.gz AVNFMJGSXLLOBO-WPRPVWTQSA-N 0 3 333.797 1.525 20 5 EDBDHN CCc1[nH]nc(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)c1[N+](=O)[O-] ZINC000351302500 319099929 /nfs/dbraw/zinc/09/99/29/319099929.db2.gz UOBMRUJFKDPHCY-AOOOYVTPSA-N 0 3 345.363 1.786 20 5 EDBDHN CCc1[n-]nc(-c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)c1[N+](=O)[O-] ZINC000351302500 319099931 /nfs/dbraw/zinc/09/99/31/319099931.db2.gz UOBMRUJFKDPHCY-AOOOYVTPSA-N 0 3 345.363 1.786 20 5 EDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)c1C ZINC000383320072 319125239 /nfs/dbraw/zinc/12/52/39/319125239.db2.gz ROKVZRWSEZQZDE-SNVBAGLBSA-N 0 3 337.348 1.472 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000264357370 443261082 /nfs/dbraw/zinc/26/10/82/443261082.db2.gz IQUHGQWEHQEVHB-AWEZNQCLSA-N 0 3 333.388 1.979 20 5 EDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000278429220 443329370 /nfs/dbraw/zinc/32/93/70/443329370.db2.gz DARDWBZPHPLCPR-AWEZNQCLSA-N 0 3 334.420 1.659 20 5 EDBDHN CC(C)c1n[n-]c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000269529300 443337905 /nfs/dbraw/zinc/33/79/05/443337905.db2.gz RUIMXFTYEGLISA-NSHDSACASA-N 0 3 339.396 1.139 20 5 EDBDHN Cc1c(C(=O)N(C)CCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000264665006 443366437 /nfs/dbraw/zinc/36/64/37/443366437.db2.gz WRTAJJQPRWFCNP-UHFFFAOYSA-N 0 3 334.420 1.613 20 5 EDBDHN COC(=O)CC1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000269623139 443369679 /nfs/dbraw/zinc/36/96/79/443369679.db2.gz BQCPGMSJXFKZAB-CQSZACIVSA-N 0 3 338.360 1.330 20 5 EDBDHN COC(=O)[C@@H](C)CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039340 443525820 /nfs/dbraw/zinc/52/58/20/443525820.db2.gz OPYOSVOBYHDQOA-NWDGAFQWSA-N 0 3 326.349 1.075 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)C(C)(C)C1 ZINC000279849180 443631953 /nfs/dbraw/zinc/63/19/53/443631953.db2.gz RYDHGHCRTFDEEX-AWEZNQCLSA-N 0 3 337.376 1.635 20 5 EDBDHN CN(CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000265409641 443632149 /nfs/dbraw/zinc/63/21/49/443632149.db2.gz WULBCSNUVJZRAI-UHFFFAOYSA-N 0 3 340.767 1.397 20 5 EDBDHN Cc1ccnc(NCCCN2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000265301017 443600486 /nfs/dbraw/zinc/60/04/86/443600486.db2.gz ZVGLNFUGEITXBB-CYBMUJFWSA-N 0 3 335.408 1.653 20 5 EDBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286184014 443663209 /nfs/dbraw/zinc/66/32/09/443663209.db2.gz VBWTZMCHIGZOFM-FZMZJTMJSA-N 0 3 329.360 1.568 20 5 EDBDHN CCN(C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276156933 443657421 /nfs/dbraw/zinc/65/74/21/443657421.db2.gz FKSODNSKKRDAKS-LBPRGKRZSA-N 0 3 341.433 1.776 20 5 EDBDHN CC(C)Nc1nc(NCCO)nc(NCc2ccccc2[N+](=O)[O-])n1 ZINC000286211540 443668987 /nfs/dbraw/zinc/66/89/87/443668987.db2.gz GKGBDRUYQVIUKR-UHFFFAOYSA-N 0 3 347.379 1.616 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCCC1(C)C ZINC000454068686 320281732 /nfs/dbraw/zinc/28/17/32/320281732.db2.gz LRSQDNCPSWBFMT-UHFFFAOYSA-N 0 3 348.403 1.832 20 5 EDBDHN CCOc1cc(CN2CCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000492772851 320385833 /nfs/dbraw/zinc/38/58/33/320385833.db2.gz OKTXFAQXLSDBQI-UHFFFAOYSA-N 0 3 337.420 1.882 20 5 EDBDHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298757204 443859521 /nfs/dbraw/zinc/85/95/21/443859521.db2.gz WWLYMHWHVOUKLN-UHFFFAOYSA-N 0 3 328.756 1.207 20 5 EDBDHN COC(=O)[C@H](C)CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298759739 443861091 /nfs/dbraw/zinc/86/10/91/443861091.db2.gz ZLBCCHMDDBJASN-DGCLKSJQSA-N 0 3 326.349 1.075 20 5 EDBDHN CN(CCCN1CCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281593767 443953974 /nfs/dbraw/zinc/95/39/74/443953974.db2.gz RIASZKGMSYACOF-UHFFFAOYSA-N 0 3 327.406 1.701 20 5 EDBDHN CN(CCCN(C)Cc1ccco1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000285518935 444014088 /nfs/dbraw/zinc/01/40/88/444014088.db2.gz DUZDZFSEHLMFHV-UHFFFAOYSA-N 0 3 348.403 1.803 20 5 EDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288931912 444017292 /nfs/dbraw/zinc/01/72/92/444017292.db2.gz WAPLHHSUFXGCSO-QGZVFWFLSA-N 0 3 348.378 1.858 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC(CO)(c3ccccc3)CC2)n1 ZINC000293491489 444033051 /nfs/dbraw/zinc/03/30/51/444033051.db2.gz ZAHXQLXTBGGPOM-UHFFFAOYSA-N 0 3 330.388 1.817 20 5 EDBDHN CCN(CCOCCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000282074038 444079529 /nfs/dbraw/zinc/07/95/29/444079529.db2.gz NNXFRQMRSHFNEY-UHFFFAOYSA-N 0 3 328.365 1.313 20 5 EDBDHN CC(C)c1ccccc1OC[C@H](O)CNCCn1cc([N+](=O)[O-])cn1 ZINC000564853897 321151407 /nfs/dbraw/zinc/15/14/07/321151407.db2.gz IRQDOXPCWUAHHA-OAHLLOKOSA-N 0 3 348.403 1.944 20 5 EDBDHN CC(C)(C)N1CCC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000565656447 321195381 /nfs/dbraw/zinc/19/53/81/321195381.db2.gz RKTCOLXPPKZPKH-GFCCVEGCSA-N 0 3 326.374 1.768 20 5 EDBDHN CCc1cccc(OC[C@@H](O)CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000566114282 321216699 /nfs/dbraw/zinc/21/66/99/321216699.db2.gz FCRNYHWZOPXTOS-HNNXBMFYSA-N 0 3 334.376 1.383 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H]2Cc3ccccc3O2)c1 ZINC000569023551 321315366 /nfs/dbraw/zinc/31/53/66/321315366.db2.gz REKIRYDYFXLLKP-DOTOQJQBSA-N 0 3 344.367 1.928 20 5 EDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000576568387 321577096 /nfs/dbraw/zinc/57/70/96/321577096.db2.gz GDADYHCKBBMZTK-LBPRGKRZSA-N 0 3 344.318 1.270 20 5 EDBDHN CC(C)[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N(C)C ZINC000297085512 444272724 /nfs/dbraw/zinc/27/27/24/444272724.db2.gz XWROGQMHAIQAEF-AWEZNQCLSA-N 0 3 335.408 1.225 20 5 EDBDHN C[C@H](O)[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000305870322 444283815 /nfs/dbraw/zinc/28/38/15/444283815.db2.gz ODJYDCUDVVQVIA-RYUDHWBXSA-N 0 3 335.360 1.596 20 5 EDBDHN Cc1cc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000297952700 444367309 /nfs/dbraw/zinc/36/73/09/444367309.db2.gz TVDSKYKKCKREET-GFCCVEGCSA-N 0 3 348.403 1.690 20 5 EDBDHN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580436848 322051066 /nfs/dbraw/zinc/05/10/66/322051066.db2.gz XDRIHNAKOZJXJA-FMSQNYNMSA-N 0 3 336.323 1.403 20 5 EDBDHN CC[C@H](C[C@@H](C)CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581429591 322176660 /nfs/dbraw/zinc/17/66/60/322176660.db2.gz RZSDVAZGEZGHGO-CHWSQXEVSA-N 0 3 344.433 1.755 20 5 EDBDHN COC(=O)c1cn(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000581444451 322178754 /nfs/dbraw/zinc/17/87/54/322178754.db2.gz VTJVGNXMRXZJJR-NSHDSACASA-N 0 3 333.348 1.632 20 5 EDBDHN Cc1ccc([C@H](C)NC(=O)[C@H]2CN3CCN2CCC3)cc1[N+](=O)[O-] ZINC000343776738 444583596 /nfs/dbraw/zinc/58/35/96/444583596.db2.gz GFMWFIYZCGJWCX-XJKSGUPXSA-N 0 3 332.404 1.470 20 5 EDBDHN O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000342209591 444566733 /nfs/dbraw/zinc/56/67/33/444566733.db2.gz SXEKQYHEEVFHPH-KBPBESRZSA-N 0 3 344.371 1.288 20 5 EDBDHN O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000342209591 444566737 /nfs/dbraw/zinc/56/67/37/444566737.db2.gz SXEKQYHEEVFHPH-KBPBESRZSA-N 0 3 344.371 1.288 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000342230908 444577516 /nfs/dbraw/zinc/57/75/16/444577516.db2.gz WIKYIUISNISSMM-ZDUSSCGKSA-N 0 3 346.343 1.160 20 5 EDBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000336901869 444842865 /nfs/dbraw/zinc/84/28/65/444842865.db2.gz TVRSTESJGZUJTM-UKRRQHHQSA-N 0 3 343.387 1.743 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000343048624 445027989 /nfs/dbraw/zinc/02/79/89/445027989.db2.gz FEIJREUGXPRPJF-UHFFFAOYSA-N 0 3 348.363 1.074 20 5 EDBDHN O=C(CCN1CCC(OCCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000337322412 445033537 /nfs/dbraw/zinc/03/35/37/445033537.db2.gz RGUJKAOTIZYBIF-UHFFFAOYSA-N 0 3 337.376 1.397 20 5 EDBDHN CC(C)OC[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000337346153 445041250 /nfs/dbraw/zinc/04/12/50/445041250.db2.gz VWXOCHQDLLSECA-LBPRGKRZSA-N 0 3 345.421 1.276 20 5 EDBDHN O=C(NCCNc1ccncc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000341871281 445044518 /nfs/dbraw/zinc/04/45/18/445044518.db2.gz WSFWNXCEINKBRN-UHFFFAOYSA-N 0 3 326.312 2.000 20 5 EDBDHN COC(=O)COc1ccc(CN(C)[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000348548853 445323287 /nfs/dbraw/zinc/32/32/87/445323287.db2.gz HBIOKXNBBONQEL-TZMCWYRMSA-N 0 3 338.360 1.492 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@]1(CO)CCOC1 ZINC000359784966 445427447 /nfs/dbraw/zinc/42/74/47/445427447.db2.gz ARZHTPINJIGTIJ-INIZCTEOSA-N 0 3 337.376 1.315 20 5 EDBDHN CN1CCN(C[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCO2)CC1 ZINC000363493724 445830201 /nfs/dbraw/zinc/83/02/01/445830201.db2.gz TWXPOVDGGWXCBL-SFHVURJKSA-N 0 3 348.447 1.086 20 5 EDBDHN COC(=O)[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000373185369 446085446 /nfs/dbraw/zinc/08/54/46/446085446.db2.gz ZPCRCTHUJBREMC-CABCVRRESA-N 0 3 334.372 1.903 20 5 EDBDHN Cc1ncccc1O[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000365276488 446121179 /nfs/dbraw/zinc/12/11/79/446121179.db2.gz ROJUNENDRDTPFM-LSDHHAIUSA-N 0 3 347.375 1.009 20 5 EDBDHN CC[C@@H]1CCCCN1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354398391 446176888 /nfs/dbraw/zinc/17/68/88/446176888.db2.gz MQVPZSCGHHPZME-CYBMUJFWSA-N 0 3 337.424 1.907 20 5 EDBDHN C[C@@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000359314009 446142794 /nfs/dbraw/zinc/14/27/94/446142794.db2.gz ONDNJKKNFJDZFB-VXGBXAGGSA-N 0 3 343.405 1.030 20 5 EDBDHN NC(=O)c1ccc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000362079163 446199334 /nfs/dbraw/zinc/19/93/34/446199334.db2.gz OIXRRYSNXWCKBQ-CYBMUJFWSA-N 0 3 334.376 1.359 20 5 EDBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000359413198 446209228 /nfs/dbraw/zinc/20/92/28/446209228.db2.gz PDTZLPMBKJUIMO-CQSZACIVSA-N 0 3 330.344 1.742 20 5 EDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(OCCN(C)C)CC1 ZINC000359502376 446262665 /nfs/dbraw/zinc/26/26/65/446262665.db2.gz NTAKQHKYERUOFQ-UHFFFAOYSA-N 0 3 325.413 1.667 20 5 EDBDHN Cc1cccc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000374219932 446358428 /nfs/dbraw/zinc/35/84/28/446358428.db2.gz LSRNDEWJIQNDQB-HNNXBMFYSA-N 0 3 346.431 1.755 20 5 EDBDHN CCc1nn(C)c(Nc2ccn(C3CCN(C)CC3)n2)c1[N+](=O)[O-] ZINC000367291246 446533375 /nfs/dbraw/zinc/53/33/75/446533375.db2.gz RGLIHWWLVWOROV-UHFFFAOYSA-N 0 3 333.396 2.098 20 5 EDBDHN Cc1n[nH]cc1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000375379027 446759143 /nfs/dbraw/zinc/75/91/43/446759143.db2.gz NTADYZVVHGZJOM-UHFFFAOYSA-N 0 3 331.376 1.668 20 5 EDBDHN O=C1[C@H](N[C@H]2CCO[C@H]2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375439496 446800588 /nfs/dbraw/zinc/80/05/88/446800588.db2.gz VHTFSKXNAGYNSW-XHSDSOJGSA-N 0 3 331.372 1.857 20 5 EDBDHN CC1(Cc2ccccc2)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000375484135 446838196 /nfs/dbraw/zinc/83/81/96/446838196.db2.gz BBVQEDPUMGHJEV-INIZCTEOSA-N 0 3 330.388 1.717 20 5 EDBDHN C[C@@H]1C[C@H](O)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000412044183 446806332 /nfs/dbraw/zinc/80/63/32/446806332.db2.gz WFNKVVUEFJPANG-YPMHNXCESA-N 0 3 335.360 1.596 20 5 EDBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2CNc3ccnn3C2)CC1 ZINC000619264231 450438002 /nfs/dbraw/zinc/43/80/02/450438002.db2.gz CPQMJVMCOPWLLU-AWEZNQCLSA-N 0 3 342.403 1.655 20 5 EDBDHN CN1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000375889986 447125043 /nfs/dbraw/zinc/12/50/43/447125043.db2.gz JTLDRZMDSOXROF-HOTGVXAUSA-N 0 3 343.387 1.395 20 5 EDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377481223 447153302 /nfs/dbraw/zinc/15/33/02/447153302.db2.gz HUCSHFITKKTZCC-ZIAGYGMSSA-N 0 3 348.403 1.376 20 5 EDBDHN O=C(CCN1CCC[C@H](n2ccnn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000425501125 447195906 /nfs/dbraw/zinc/19/59/06/447195906.db2.gz NLYPMAOQSLBYRZ-HNNXBMFYSA-N 0 3 344.375 1.852 20 5 EDBDHN Cc1ccc(NC(=O)N2CCCN([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000376069583 447249240 /nfs/dbraw/zinc/24/92/40/447249240.db2.gz NEHFFZQFQBPIJR-ZDUSSCGKSA-N 0 3 336.392 1.824 20 5 EDBDHN CNc1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000455809810 447233862 /nfs/dbraw/zinc/23/38/62/447233862.db2.gz ZTOGGDYWQFUJDT-YOGCLGLASA-N 0 3 333.392 1.777 20 5 EDBDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368972203 447235052 /nfs/dbraw/zinc/23/50/52/447235052.db2.gz FOYMBWJZNNCWJV-WPGHFRTFSA-N 0 3 346.387 1.509 20 5 EDBDHN CN1C[C@@H]2CCCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425684581 447266363 /nfs/dbraw/zinc/26/63/63/447266363.db2.gz WXTHDQAUYPPNIC-GOEBONIOSA-N 0 3 332.404 1.873 20 5 EDBDHN COc1cc(OCC(=O)NCCN2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000524774685 447951834 /nfs/dbraw/zinc/95/18/34/447951834.db2.gz WGDNJXULKYCXID-LBPRGKRZSA-N 0 3 337.376 1.440 20 5 EDBDHN COc1ccc(CC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000532080070 448197170 /nfs/dbraw/zinc/19/71/70/448197170.db2.gz INCKKQKTSRUXNZ-SMDDNHRTSA-N 0 3 333.388 1.745 20 5 EDBDHN Cn1ccnc1[C@@H](NC[C@@H]1C[C@H](F)CN1)c1cccc([N+](=O)[O-])c1 ZINC000591581769 448396111 /nfs/dbraw/zinc/39/61/11/448396111.db2.gz RJFAXBCYFMQYCG-YDHLFZDLSA-N 0 3 333.367 1.707 20 5 EDBDHN CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](CN)C1 ZINC000516059231 448374233 /nfs/dbraw/zinc/37/42/33/448374233.db2.gz CRYGTTJIAKYHJD-GFCCVEGCSA-N 0 3 334.401 1.524 20 5 EDBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCNC[C@@H]3C(F)F)n2)c1 ZINC000516468031 448425668 /nfs/dbraw/zinc/42/56/68/448425668.db2.gz NRFREWMDIZDNCY-LLVKDONJSA-N 0 3 339.302 1.684 20 5 EDBDHN Cn1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591686215 448451060 /nfs/dbraw/zinc/45/10/60/448451060.db2.gz UIJBNQKJHYLLIM-RYUDHWBXSA-N 0 3 347.350 1.425 20 5 EDBDHN COc1cccc([N+](=O)[O-])c1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000516937957 448503399 /nfs/dbraw/zinc/50/33/99/448503399.db2.gz QOSVYYHGELUPOV-UHFFFAOYSA-N 0 3 348.403 1.348 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2c3ccccc3C[C@H]2O)c1 ZINC000572960686 448508167 /nfs/dbraw/zinc/50/81/67/448508167.db2.gz KDOWVNLELAZEAJ-OLMNPRSZSA-N 0 3 344.367 1.582 20 5 EDBDHN CNc1nccc(C(=O)NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000578377104 448531845 /nfs/dbraw/zinc/53/18/45/448531845.db2.gz FVAKSEVUUQSXEH-LBPRGKRZSA-N 0 3 333.392 1.778 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(OC(F)F)cc2)c1 ZINC000584568330 448572329 /nfs/dbraw/zinc/57/23/29/448572329.db2.gz MRRNTIXWWGIQRA-LBPRGKRZSA-N 0 3 342.302 1.543 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(C3CC3)cc2F)c1 ZINC000578437238 448545109 /nfs/dbraw/zinc/54/51/09/448545109.db2.gz WYZIHZAUIRGQBK-HNNXBMFYSA-N 0 3 334.351 1.959 20 5 EDBDHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000517455593 448582983 /nfs/dbraw/zinc/58/29/83/448582983.db2.gz UPLIYUOGSZHSIG-LLVKDONJSA-N 0 3 335.360 1.438 20 5 EDBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000584665759 448592734 /nfs/dbraw/zinc/59/27/34/448592734.db2.gz ZCDFODQEACANSG-DGCLKSJQSA-N 0 3 341.371 1.200 20 5 EDBDHN COc1cc(Cl)ccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574151148 448802431 /nfs/dbraw/zinc/80/24/31/448802431.db2.gz JESHEXPWSCPKQQ-CYBMUJFWSA-N 0 3 340.767 1.604 20 5 EDBDHN COCCN(C)C[C@@H](O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000574464804 448881190 /nfs/dbraw/zinc/88/11/90/448881190.db2.gz UFGABMXXBBXCTE-MRXNPFEDSA-N 0 3 334.376 1.397 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cnn(-c3ccccc3)c2)c1 ZINC000579946933 448917294 /nfs/dbraw/zinc/91/72/94/448917294.db2.gz HNAYHLXUWZHRIQ-MRXNPFEDSA-N 0 3 342.359 1.128 20 5 EDBDHN CC(C)[C@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000592543476 448890263 /nfs/dbraw/zinc/89/02/63/448890263.db2.gz CNJIPXTYIWCADR-IUODEOHRSA-N 0 3 348.403 1.170 20 5 EDBDHN Cc1ccc([C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])N(C)C)cc1 ZINC000548085824 448980733 /nfs/dbraw/zinc/98/07/33/448980733.db2.gz OOZAPIXXVZFNIJ-CQSZACIVSA-N 0 3 343.387 1.913 20 5 EDBDHN Cc1c(CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588861933 448941843 /nfs/dbraw/zinc/94/18/43/448941843.db2.gz ZKYNVBGRVHWZMI-CABCVRRESA-N 0 3 333.388 1.113 20 5 EDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H](CO)CN1CCCC1 ZINC000588869213 448943344 /nfs/dbraw/zinc/94/33/44/448943344.db2.gz IQRGNCUJPDUZEW-CYBMUJFWSA-N 0 3 346.387 1.192 20 5 EDBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593573889 449082799 /nfs/dbraw/zinc/08/27/99/449082799.db2.gz VJJKWDTZEGRFFP-NSHDSACASA-N 0 3 342.421 1.341 20 5 EDBDHN CC(C)(NC[C@@H](O)COC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000590020181 449098656 /nfs/dbraw/zinc/09/86/56/449098656.db2.gz MNTIPHWIQMWRRN-ZIAGYGMSSA-N 0 3 338.404 1.976 20 5 EDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](CO)CN1CCCCC1 ZINC000593701383 449152646 /nfs/dbraw/zinc/15/26/46/449152646.db2.gz HEUZVEZFFMRGBO-CQSZACIVSA-N 0 3 339.367 1.239 20 5 EDBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000590588458 449204252 /nfs/dbraw/zinc/20/42/52/449204252.db2.gz HNNYTBKYGYDMIR-OCCSQVGLSA-N 0 3 341.433 1.492 20 5 EDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN(C)C1=O ZINC000601970838 449252743 /nfs/dbraw/zinc/25/27/43/449252743.db2.gz QNDSRORGHLEJFM-OAHLLOKOSA-N 0 3 348.403 1.866 20 5 EDBDHN Cc1[nH]nc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1[N+](=O)[O-] ZINC000595943822 449270824 /nfs/dbraw/zinc/27/08/24/449270824.db2.gz RZQSHCXFXKWXHY-LBPRGKRZSA-N 0 3 331.332 1.540 20 5 EDBDHN Cc1[n-]nc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1[N+](=O)[O-] ZINC000595943822 449270829 /nfs/dbraw/zinc/27/08/29/449270829.db2.gz RZQSHCXFXKWXHY-LBPRGKRZSA-N 0 3 331.332 1.540 20 5 EDBDHN O=C1N=NCN1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593983092 449311838 /nfs/dbraw/zinc/31/18/38/449311838.db2.gz VFTDJQOHKFJRFO-UHFFFAOYSA-N 0 3 347.375 1.998 20 5 EDBDHN Cc1c(CN)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)nn1C ZINC000595963088 449285722 /nfs/dbraw/zinc/28/57/22/449285722.db2.gz ZPDKTNQRJJKSLS-UHFFFAOYSA-N 0 3 335.389 1.826 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594098722 449354357 /nfs/dbraw/zinc/35/43/57/449354357.db2.gz VSMHEMSZSJFQBL-QWHCGFSZSA-N 0 3 334.376 1.494 20 5 EDBDHN O=c1[n-]ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596168472 449393262 /nfs/dbraw/zinc/39/32/62/449393262.db2.gz SBMVIVBDOMAGMP-CYBMUJFWSA-N 0 3 336.392 1.777 20 5 EDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(N2CCCOCC2)CC1 ZINC000596268552 449446505 /nfs/dbraw/zinc/44/65/05/449446505.db2.gz LWNVSNQWCNAXGO-UHFFFAOYSA-N 0 3 337.424 1.811 20 5 EDBDHN CC(C)(C)N1CC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000596306561 449466808 /nfs/dbraw/zinc/46/68/08/449466808.db2.gz GAZVEFCOQWBUDP-JTQLQIEISA-N 0 3 342.421 1.527 20 5 EDBDHN CC(C)(C)N1CC[C@@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596307826 449468107 /nfs/dbraw/zinc/46/81/07/449468107.db2.gz FGWRIVKERSZIDY-LLVKDONJSA-N 0 3 342.421 1.527 20 5 EDBDHN CN(C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000594590832 449586342 /nfs/dbraw/zinc/58/63/42/449586342.db2.gz DHKMTUNCAFAVCX-KLPPZKSPSA-N 0 3 327.406 1.750 20 5 EDBDHN CCn1cc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602559246 449674514 /nfs/dbraw/zinc/67/45/14/449674514.db2.gz XBLSSHPYZXFDRJ-UHFFFAOYSA-N 0 3 330.392 1.965 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598896200 449634033 /nfs/dbraw/zinc/63/40/33/449634033.db2.gz GKGPZMHNFFWMSC-AWEZNQCLSA-N 0 3 349.391 1.269 20 5 EDBDHN CN1CC=C(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598902889 449639501 /nfs/dbraw/zinc/63/95/01/449639501.db2.gz SSXVNUWWJRUANM-UHFFFAOYSA-N 0 3 347.375 1.094 20 5 EDBDHN CN1CCN(CCNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000602658385 449735815 /nfs/dbraw/zinc/73/58/15/449735815.db2.gz VSZGUACYVQOEBF-UHFFFAOYSA-N 0 3 347.419 1.852 20 5 EDBDHN CCN1CCN(C[C@H](C)CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105837 449692728 /nfs/dbraw/zinc/69/27/28/449692728.db2.gz ODWPCFILGHSFIS-GFCCVEGCSA-N 0 3 325.388 1.814 20 5 EDBDHN C[C@@H](C(=O)NCCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617698855 449743495 /nfs/dbraw/zinc/74/34/95/449743495.db2.gz XUGQGSACSDXAFD-OAHLLOKOSA-N 0 3 348.447 1.842 20 5 EDBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601285268 449798152 /nfs/dbraw/zinc/79/81/52/449798152.db2.gz RDIUGIFCHPMQLS-UHFFFAOYSA-N 0 3 335.451 1.975 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@]1(OCCO)CCOC1 ZINC000595077921 449857627 /nfs/dbraw/zinc/85/76/27/449857627.db2.gz LAOYNARBBVZQJS-WBMJQRKESA-N 0 3 340.376 1.422 20 5 EDBDHN O=C([C@@H](C1CC1)N1CCCC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612755380 449869626 /nfs/dbraw/zinc/86/96/26/449869626.db2.gz ZLGUOOOVGLBYNL-MRXNPFEDSA-N 0 3 330.388 1.749 20 5 EDBDHN C[C@H]1CN(CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000617843292 449874506 /nfs/dbraw/zinc/87/45/06/449874506.db2.gz ZDGVFVKEAUQHOE-ZDUSSCGKSA-N 0 3 345.403 2.451 20 5 EDBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000601422306 449940328 /nfs/dbraw/zinc/94/03/28/449940328.db2.gz PQTXEUKIEQCCET-MNOVXSKESA-N 0 3 343.405 1.317 20 5 EDBDHN C[C@@H]1CN(CCN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000602962994 449964457 /nfs/dbraw/zinc/96/44/57/449964457.db2.gz QXKRQAVNGVPJFJ-VBQJREDUSA-N 0 3 337.420 1.501 20 5 EDBDHN CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000609213790 449978681 /nfs/dbraw/zinc/97/86/81/449978681.db2.gz IULOOZRHGCGEQD-NSHDSACASA-N 0 3 335.360 1.532 20 5 EDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595258711 449982121 /nfs/dbraw/zinc/98/21/21/449982121.db2.gz WDGHPPNRSZXLOR-HNNXBMFYSA-N 0 3 330.344 1.847 20 5 EDBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CCN([C@@H]4CCC[C@@H]4O)CC3)nc2c1 ZINC000618279259 450114914 /nfs/dbraw/zinc/11/49/14/450114914.db2.gz FCFGMNMISRSPIQ-CVEARBPZSA-N 0 3 345.403 1.502 20 5 EDBDHN COc1cc(C(=O)NC[C@@H](C)N2CCCC2)cc([N+](=O)[O-])c1OC ZINC000610196786 450150823 /nfs/dbraw/zinc/15/08/23/450150823.db2.gz IPWMWPUMVXGDGR-LLVKDONJSA-N 0 3 337.376 1.826 20 5 EDBDHN CC(=O)NC[C@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599701420 450164159 /nfs/dbraw/zinc/16/41/59/450164159.db2.gz JUXHFPGVEOMTOR-CQSZACIVSA-N 0 3 348.403 1.914 20 5 EDBDHN CC(C)Oc1cc(C(=O)N[C@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000597653273 450172786 /nfs/dbraw/zinc/17/27/86/450172786.db2.gz IMYRLPTTZAJHDV-LBPRGKRZSA-N 0 3 325.365 1.034 20 5 EDBDHN CCN1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000595534109 450213740 /nfs/dbraw/zinc/21/37/40/450213740.db2.gz CCUZDOQBNVYFJU-CQSZACIVSA-N 0 3 346.431 1.900 20 5 EDBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CSCCN1 ZINC000603419637 450293299 /nfs/dbraw/zinc/29/32/99/450293299.db2.gz OSBYOJUNXOZSQV-MRVPVSSYSA-N 0 3 333.211 1.869 20 5 EDBDHN Cc1cc(N[C@H]2CCCN(CCN3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000603421773 450293625 /nfs/dbraw/zinc/29/36/25/450293625.db2.gz CCDNTPXYRVFEMW-HNNXBMFYSA-N 0 3 349.435 1.507 20 5 EDBDHN Cc1cc(N[C@@H]2CCCN(CCN3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000603421777 450293788 /nfs/dbraw/zinc/29/37/88/450293788.db2.gz CCDNTPXYRVFEMW-OAHLLOKOSA-N 0 3 349.435 1.507 20 5 EDBDHN Cc1cc(OCC(=O)N[C@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000619535947 450500984 /nfs/dbraw/zinc/50/09/84/450500984.db2.gz DSVABXVXSDUMMU-AWEZNQCLSA-N 0 3 333.388 1.883 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922209 485939069 /nfs/dbraw/zinc/93/90/69/485939069.db2.gz VJXWTMUVRHOWSB-LBPRGKRZSA-N 0 3 346.387 1.917 20 5 EDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H](O)CN1CCCCC1 ZINC000160361447 534466741 /nfs/dbraw/zinc/46/67/41/534466741.db2.gz MTNHIKARAUWDTP-MRXNPFEDSA-N 0 3 335.404 1.490 20 5 EDBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000173992956 528290766 /nfs/dbraw/zinc/29/07/66/528290766.db2.gz BBLFYMFKBDCKMR-LBPRGKRZSA-N 0 3 345.396 1.839 20 5 EDBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729497529 578577762 /nfs/dbraw/zinc/57/77/62/578577762.db2.gz PSROOJGULFVAFN-KBPBESRZSA-N 0 3 334.376 1.257 20 5 EDBDHN CN(C)[C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000730077935 578615847 /nfs/dbraw/zinc/61/58/47/578615847.db2.gz JNAOKIQLMLBBFB-CQSZACIVSA-N 0 3 331.376 1.497 20 5 EDBDHN CN1CCC2(CCN2C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000748325388 579679695 /nfs/dbraw/zinc/67/96/95/579679695.db2.gz IMFZHMLTRSPZAL-UHFFFAOYSA-N 0 3 343.387 1.641 20 5 EDBDHN CN(C)CCOc1ccc(N(C)C(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000766887994 580176250 /nfs/dbraw/zinc/17/62/50/580176250.db2.gz JFSQPBZBKVCRHB-UHFFFAOYSA-N 0 3 347.375 1.545 20 5 EDBDHN CCCNC(=O)[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776577966 580421849 /nfs/dbraw/zinc/42/18/49/580421849.db2.gz BNSWVWKKMAHICI-HOCLYGCPSA-N 0 3 335.404 1.866 20 5 EDBDHN COC[C@](C)(CC(=O)OC)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591522 580423037 /nfs/dbraw/zinc/42/30/37/580423037.db2.gz OEZKDDPFVRUCGA-ZFWWWQNUSA-N 0 3 326.349 1.186 20 5 EDBDHN CN1CCC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000781606921 580553299 /nfs/dbraw/zinc/55/32/99/580553299.db2.gz PYIARSPPUUGWCQ-LBPRGKRZSA-N 0 3 336.348 1.646 20 5 EDBDHN COCCN1CC[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000892412986 591017765 /nfs/dbraw/zinc/01/77/65/591017765.db2.gz AKYFAPPHYGVQBU-LBPRGKRZSA-N 0 3 334.351 1.837 20 5 EDBDHN O=[N+]([O-])c1c(NC[C@@H]2CCN2C2CCOCC2)nc2ccccn21 ZINC000896517386 591488426 /nfs/dbraw/zinc/48/84/26/591488426.db2.gz XNGCGSHCYZFTBY-ZDUSSCGKSA-N 0 3 331.376 1.908 20 5 EDBDHN O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C12CCN(CC1)C2 ZINC000900221850 591953779 /nfs/dbraw/zinc/95/37/79/591953779.db2.gz XQPNCLQRYHHFEL-UHFFFAOYSA-N 0 3 330.388 1.339 20 5 EDBDHN CN(C)CCOCCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907235555 592561408 /nfs/dbraw/zinc/56/14/08/592561408.db2.gz YBTDHJDSWWDUJK-UHFFFAOYSA-N 0 3 343.811 1.875 20 5 EDBDHN CCN1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000910286209 592822198 /nfs/dbraw/zinc/82/21/98/592822198.db2.gz ZKFAWIQXKHDOIC-LBPRGKRZSA-N 0 3 337.424 1.741 20 5 EDBDHN CN(C)[C@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906548032 592848530 /nfs/dbraw/zinc/84/85/30/592848530.db2.gz MEMYOJCVXWGGME-NSHDSACASA-N 0 3 335.360 1.532 20 5 EDBDHN C[C@H]1CCCN1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000783915827 593137780 /nfs/dbraw/zinc/13/77/80/593137780.db2.gz MTUUXAUYRABRIY-LBPRGKRZSA-N 0 3 344.375 1.390 20 5 EDBDHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000842813683 593148279 /nfs/dbraw/zinc/14/82/79/593148279.db2.gz XFAQCNZYECKXGV-SECBINFHSA-N 0 3 335.813 1.833 20 5 EDBDHN Cn1nccc1[C@H](CO)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000839179769 593271961 /nfs/dbraw/zinc/27/19/61/593271961.db2.gz PODWQBZOVUQHBN-INIZCTEOSA-N 0 3 345.403 1.620 20 5 EDBDHN CCCS(=O)(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105315 593517740 /nfs/dbraw/zinc/51/77/40/593517740.db2.gz XOZCMZPYLZAQLS-JTQLQIEISA-N 0 3 330.362 1.660 20 5 EDBDHN CC(COC(=O)CCCNC(=O)c1ccc(F)cc1F)[N+](=O)[O-] ZINC000813103625 593517787 /nfs/dbraw/zinc/51/77/87/593517787.db2.gz RVBIORLVOMAJIV-VIFPVBQESA-N 0 3 330.287 1.683 20 5 EDBDHN CC(COC(=O)[C@H]1CCCN1c1ncnc2ccccc21)[N+](=O)[O-] ZINC000813107676 593518339 /nfs/dbraw/zinc/51/83/39/593518339.db2.gz QJZAQFQZALUQCM-BXUZGUMPSA-N 0 3 330.344 1.807 20 5 EDBDHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813115488 593518922 /nfs/dbraw/zinc/51/89/22/593518922.db2.gz SZBVFCLAPIHBOD-LBPRGKRZSA-N 0 3 344.389 1.180 20 5 EDBDHN C[C@H](NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601224 593643941 /nfs/dbraw/zinc/64/39/41/593643941.db2.gz QKJJJKDURYSMPW-NVBFEUDRSA-N 0 3 336.392 1.463 20 5 EDBDHN O=C(NC[C@@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818007423 593656438 /nfs/dbraw/zinc/65/64/38/593656438.db2.gz ACSXEHFYDVHTGP-AWEZNQCLSA-N 0 3 348.403 1.303 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000818986188 593732593 /nfs/dbraw/zinc/73/25/93/593732593.db2.gz HPZSOZZXOOIXLT-YPMHNXCESA-N 0 3 333.310 1.854 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCOc2cccnc2)c1 ZINC000819067847 593737071 /nfs/dbraw/zinc/73/70/71/593737071.db2.gz CNOJHDIMBRPQJQ-CQSZACIVSA-N 0 3 333.344 1.398 20 5 EDBDHN CS(=O)(=O)[C@@H]1CCC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819095050 593738601 /nfs/dbraw/zinc/73/86/01/593738601.db2.gz RYUMKNYYLDGEMQ-CFVMTHIKSA-N 0 3 342.417 1.574 20 5 EDBDHN O=C1NCCc2ccc(CNC[C@H](O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000819228908 593745693 /nfs/dbraw/zinc/74/56/93/593745693.db2.gz LYZVZPMICROHEY-KRWDZBQOSA-N 0 3 341.367 1.704 20 5 EDBDHN CS(=O)(=O)C1(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819276328 593748034 /nfs/dbraw/zinc/74/80/34/593748034.db2.gz IFJCWGWQWCCWKZ-ZDUSSCGKSA-N 0 3 328.390 1.185 20 5 EDBDHN CS(=O)(=O)C1(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819276327 593748074 /nfs/dbraw/zinc/74/80/74/593748074.db2.gz IFJCWGWQWCCWKZ-CYBMUJFWSA-N 0 3 328.390 1.185 20 5 EDBDHN Cc1c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000819718525 593764907 /nfs/dbraw/zinc/76/49/07/593764907.db2.gz YTFVVWIUNUFTOH-XHDPSFHLSA-N 0 3 348.359 1.978 20 5 EDBDHN CC[C@H](C)N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000104687788 595057969 /nfs/dbraw/zinc/05/79/69/595057969.db2.gz UFTDWHKBTCIHAA-AWEZNQCLSA-N 0 3 334.420 1.974 20 5 EDBDHN CC([C@H](OC(=O)CCNS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845879360 595086408 /nfs/dbraw/zinc/08/64/08/595086408.db2.gz UMNUTLVJXDDFSA-ZANVPECISA-N 0 3 348.352 1.015 20 5 EDBDHN C[NH+](C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000845891672 595090147 /nfs/dbraw/zinc/09/01/47/595090147.db2.gz WRXWOQQSWVYRLL-QWRGUYRKSA-N 0 3 328.394 1.141 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)C[NH+](C)C)cc1F ZINC000867296974 595107448 /nfs/dbraw/zinc/10/74/48/595107448.db2.gz YLRBMTKGQCZZNQ-SECBINFHSA-N 0 3 333.385 1.518 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]([NH3+])C(C)C)c1 ZINC000842723458 595181042 /nfs/dbraw/zinc/18/10/42/595181042.db2.gz DMERWOUOPWTPRB-SECBINFHSA-N 0 3 335.813 1.818 20 5 EDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc(F)c(F)c1 ZINC000842802435 595204002 /nfs/dbraw/zinc/20/40/02/595204002.db2.gz YQLXUOIXCDDBRE-ZETCQYMHSA-N 0 3 326.259 1.676 20 5 EDBDHN Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000867435273 595288767 /nfs/dbraw/zinc/28/87/67/595288767.db2.gz ZRDYQJRUADPATP-CQSZACIVSA-N 0 3 348.403 1.072 20 5 EDBDHN CC1(C)C(=O)N[C@H]1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846931113 595338916 /nfs/dbraw/zinc/33/89/16/595338916.db2.gz XOXRDEFNRSLLOY-HOTGVXAUSA-N 0 3 347.415 1.865 20 5 EDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000846942108 595340743 /nfs/dbraw/zinc/34/07/43/595340743.db2.gz ZEJIREZMEISTFW-IAGOWNOFSA-N 0 3 335.404 1.425 20 5 EDBDHN CN(C)[C@@H]1CCc2ccccc2N(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000857927674 595655652 /nfs/dbraw/zinc/65/56/52/595655652.db2.gz VNDNVAWQAJEARX-CYBMUJFWSA-N 0 3 343.387 1.852 20 5 EDBDHN CC(COC(=O)C1(CC(=O)OC(C)(C)C)CCOCC1)[N+](=O)[O-] ZINC000851036159 595709985 /nfs/dbraw/zinc/70/99/85/595709985.db2.gz DSBWXGWFFHXPRO-LLVKDONJSA-N 0 3 331.365 1.723 20 5 EDBDHN CC(COC(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)[N+](=O)[O-] ZINC000851036249 595710730 /nfs/dbraw/zinc/71/07/30/595710730.db2.gz GULSRSUHZPVZQF-MRVPVSSYSA-N 0 3 334.250 1.938 20 5 EDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855902648 595852210 /nfs/dbraw/zinc/85/22/10/595852210.db2.gz JOVXSRGUQUMTDB-BBRMVZONSA-N 0 3 335.404 1.865 20 5 EDBDHN N[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1F ZINC000851657569 595870846 /nfs/dbraw/zinc/87/08/46/595870846.db2.gz GBRCFHSSFIQZIZ-VXGBXAGGSA-N 0 3 330.747 1.829 20 5 EDBDHN CNc1ccc(C(=O)OC[C@]2(C)C[C@@H](OC)CN2C)cc1[N+](=O)[O-] ZINC000861340535 595948383 /nfs/dbraw/zinc/94/83/83/595948383.db2.gz INIRHXPLXNCHNE-WBMJQRKESA-N 0 3 337.376 1.903 20 5 EDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000856409228 595980732 /nfs/dbraw/zinc/98/07/32/595980732.db2.gz IZIBTIVXMXBZFI-CQSZACIVSA-N 0 3 341.452 1.924 20 5 EDBDHN COCCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859224536 596009682 /nfs/dbraw/zinc/00/96/82/596009682.db2.gz AOAMVSSZMLVZTQ-UHFFFAOYSA-N 0 3 329.784 1.898 20 5 EDBDHN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861712803 596077242 /nfs/dbraw/zinc/07/72/42/596077242.db2.gz UMIWDJOAXKFTRT-NWDGAFQWSA-N 0 3 339.779 1.529 20 5 EDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854643832 596147435 /nfs/dbraw/zinc/14/74/35/596147435.db2.gz YPIZXOGTWWYNLN-CABCVRRESA-N 0 3 337.351 1.669 20 5 EDBDHN CN(CC(=O)N1CCN(C)C(C)(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000871155676 596482431 /nfs/dbraw/zinc/48/24/31/596482431.db2.gz XYTVLMFERVLVNB-UHFFFAOYSA-N 0 3 334.420 1.974 20 5 EDBDHN CCN1CCN([C@@H](C)CNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865442234 596576134 /nfs/dbraw/zinc/57/61/34/596576134.db2.gz KRZFTUJSPVWTFN-LBPRGKRZSA-N 0 3 340.399 1.664 20 5 EDBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cs1 ZINC000119831162 596747999 /nfs/dbraw/zinc/74/79/99/596747999.db2.gz CEOZZVPGODWSQZ-LLVKDONJSA-N 0 3 345.446 1.763 20 5 EDBDHN CN1c2ccccc2C[C@H](NC2CC(n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000877622811 597542132 /nfs/dbraw/zinc/54/21/32/597542132.db2.gz DAWJFSGFOXYXNC-PIMMBPRGSA-N 0 3 341.371 1.672 20 5 EDBDHN NC(=O)NC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174912123 231342672 /nfs/dbraw/zinc/34/26/72/231342672.db2.gz PMQIAPURIZOFQS-UHFFFAOYSA-N 0 3 335.364 1.056 20 5 EDBDHN CCN1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000561491633 306288513 /nfs/dbraw/zinc/28/85/13/306288513.db2.gz ALNMFJOVRBEJNO-UHFFFAOYSA-N 0 3 341.433 1.913 20 5 EDBDHN Cc1sc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184407083 235390013 /nfs/dbraw/zinc/39/00/13/235390013.db2.gz IFPRVCFCMRWMSW-LLVKDONJSA-N 0 3 340.449 1.721 20 5 EDBDHN CN(C)C1(CN(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000186941413 236072802 /nfs/dbraw/zinc/07/28/02/236072802.db2.gz XYWJJRIQOJMFCB-UHFFFAOYSA-N 0 3 346.431 1.900 20 5 EDBDHN CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000183664642 138786526 /nfs/dbraw/zinc/78/65/26/138786526.db2.gz BHTYLGSFJUSJCT-UHFFFAOYSA-N 0 3 345.359 1.765 20 5 EDBDHN C[C@@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CCN(Cc2ccccc2)C1 ZINC000565062837 306374110 /nfs/dbraw/zinc/37/41/10/306374110.db2.gz ONZKYXKZGISKEZ-QGZVFWFLSA-N 0 3 343.387 1.572 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000107629860 219792206 /nfs/dbraw/zinc/79/22/06/219792206.db2.gz FWAMFHAQWGYAPJ-AWEZNQCLSA-N 0 3 335.408 1.577 20 5 EDBDHN CCN1CCCC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000109966994 220005826 /nfs/dbraw/zinc/00/58/26/220005826.db2.gz UQDPWQSPDMSDLP-OAHLLOKOSA-N 0 3 348.403 1.315 20 5 EDBDHN COCCOCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237083690 139040060 /nfs/dbraw/zinc/04/00/60/139040060.db2.gz NIGDKPXIFPMFHK-UHFFFAOYSA-N 0 3 334.376 1.748 20 5 EDBDHN CCN1CCN([C@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000246296876 139103076 /nfs/dbraw/zinc/10/30/76/139103076.db2.gz PJQBVGRRZQOHBH-ZWKOTPCHSA-N 0 3 348.447 1.340 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CC[NH+](C)C)cc1C ZINC000266033344 248050251 /nfs/dbraw/zinc/05/02/51/248050251.db2.gz SOSOXIOAOULBQH-GFCCVEGCSA-N 0 3 329.422 1.830 20 5 EDBDHN CC[C@H]1Cc2ccccc2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248624728 139168931 /nfs/dbraw/zinc/16/89/31/139168931.db2.gz OTJGKQDJRLPVFE-DOTOQJQBSA-N 0 3 330.388 1.989 20 5 EDBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000261735278 139221768 /nfs/dbraw/zinc/22/17/68/139221768.db2.gz ORGTUUADWBZECQ-ZDUSSCGKSA-N 0 3 343.405 1.270 20 5 EDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(N)CCOCC1 ZINC000261760622 139223869 /nfs/dbraw/zinc/22/38/69/139223869.db2.gz FVMYOAWGEQZMON-UHFFFAOYSA-N 0 3 327.768 1.715 20 5 EDBDHN CC1(C)CCC[NH2+][C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262426769 139278378 /nfs/dbraw/zinc/27/83/78/139278378.db2.gz FMPDTTQRRPQPSQ-ZDUSSCGKSA-N 0 3 327.406 1.651 20 5 EDBDHN Cn1cc([C@@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000424416351 252220090 /nfs/dbraw/zinc/22/00/90/252220090.db2.gz LLFBGVPTQBTGMW-UONOGXRCSA-N 0 3 348.338 1.426 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CCO)C(C)(C)C ZINC000183679080 533138913 /nfs/dbraw/zinc/13/89/13/533138913.db2.gz UNMTUOVSMGVZSS-CQSZACIVSA-N 0 3 339.392 1.929 20 5 EDBDHN C[C@@H]1[C@@H](CO)CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000488754026 255052658 /nfs/dbraw/zinc/05/26/58/255052658.db2.gz OFPKUXDPPOFOSQ-VXGBXAGGSA-N 0 3 335.360 1.596 20 5 EDBDHN COCCN1CCC[C@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491508897 255127384 /nfs/dbraw/zinc/12/73/84/255127384.db2.gz ZKBHBOONDANBCM-HVHJFMEUSA-N 0 3 333.388 1.835 20 5 EDBDHN CN1CCN(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000493328886 255204448 /nfs/dbraw/zinc/20/44/48/255204448.db2.gz XMHLPDASKVTFJK-TWGQIWQCSA-N 0 3 346.431 1.750 20 5 EDBDHN CCOC(=O)N1CCC[C@H]([C@@H](C)NCc2c([N+](=O)[O-])ncn2C)C1 ZINC000495544347 255298006 /nfs/dbraw/zinc/29/80/06/255298006.db2.gz UVWKAMZYSCCJHV-NEPJUHHUSA-N 0 3 339.396 1.675 20 5 EDBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC2(CC1)NC(=O)NC2=O ZINC000347378614 533382112 /nfs/dbraw/zinc/38/21/12/533382112.db2.gz POONFWBYEPBTJO-XFXZXTDPSA-N 0 3 344.371 1.672 20 5 EDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CCO)CCN1CCOCC1 ZINC000347379762 533407059 /nfs/dbraw/zinc/40/70/59/533407059.db2.gz WMHUXRHHRKJGJF-DTQAZKPQSA-N 0 3 349.431 1.625 20 5 EDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000193419370 291991585 /nfs/dbraw/zinc/99/15/85/291991585.db2.gz QAXUXXCYZQABCF-NXEZZACHSA-N 0 3 347.824 1.833 20 5 EDBDHN O=C1NC(=O)C2(CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)N1 ZINC000270563157 140124430 /nfs/dbraw/zinc/12/44/30/140124430.db2.gz XZYLKAUWAYSLIS-UHFFFAOYSA-N 0 3 338.751 1.422 20 5 EDBDHN Cc1cc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416389654 304314475 /nfs/dbraw/zinc/31/44/75/304314475.db2.gz NAVXICIBOFPZBD-CYBMUJFWSA-N 0 3 341.433 1.926 20 5 EDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345013297 143039387 /nfs/dbraw/zinc/03/93/87/143039387.db2.gz QRPXBLMHNNWHFM-ZOWXZIJZSA-N 0 3 348.403 1.312 20 5 EDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000346157642 143173425 /nfs/dbraw/zinc/17/34/25/143173425.db2.gz CETYCOSWEFSVFC-ZOWXZIJZSA-N 0 3 332.404 1.979 20 5 EDBDHN C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000346469361 143208242 /nfs/dbraw/zinc/20/82/42/143208242.db2.gz BBOMJIRLTCGXHG-SMDDNHRTSA-N 0 3 343.405 1.030 20 5 EDBDHN CN(c1ccccc1)c1ccc(CNC[C@H](O)CO)cc1[N+](=O)[O-] ZINC000347530813 143331939 /nfs/dbraw/zinc/33/19/39/143331939.db2.gz VGLGINDWELWRDZ-HNNXBMFYSA-N 0 3 331.372 1.806 20 5 EDBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000573137996 306613047 /nfs/dbraw/zinc/61/30/47/306613047.db2.gz CFXGBFWXHZWMHT-JSGCOSHPSA-N 0 3 341.371 1.200 20 5 EDBDHN CN1CC[C@](O)(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000358176070 151295363 /nfs/dbraw/zinc/29/53/63/151295363.db2.gz WDWQLJORVGMZGX-AWEZNQCLSA-N 0 3 331.319 1.352 20 5 EDBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363875492 153082768 /nfs/dbraw/zinc/08/27/68/153082768.db2.gz ZTDNLUSGJLPPFV-SNPRPXQTSA-N 0 3 348.403 1.609 20 5 EDBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364502720 153254292 /nfs/dbraw/zinc/25/42/92/153254292.db2.gz NWFORXNRYDRWQM-HNNXBMFYSA-N 0 3 346.387 1.149 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)CCC[NH3+] ZINC000319875283 286384823 /nfs/dbraw/zinc/38/48/23/286384823.db2.gz WXWDJEUMAIOOPA-UHFFFAOYSA-N 0 3 331.394 1.399 20 5 EDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)n1 ZINC000367551241 154171377 /nfs/dbraw/zinc/17/13/77/154171377.db2.gz YNYCDGXYADYFRI-QMTHXVAHSA-N 0 3 349.416 1.813 20 5 EDBDHN O=C1CNC(=O)N1CCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417348395 304393750 /nfs/dbraw/zinc/39/37/50/304393750.db2.gz YEXPCNGOZMZFCV-AWEZNQCLSA-N 0 3 332.360 1.504 20 5 EDBDHN O=C(Nc1ccccn1)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000377938876 158033464 /nfs/dbraw/zinc/03/34/64/158033464.db2.gz IVEYXTHMLFYGJK-ZDUSSCGKSA-N 0 3 344.375 1.537 20 5 EDBDHN O=C(CN1CCNCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037395743 267386687 /nfs/dbraw/zinc/38/66/87/267386687.db2.gz YZGGPAWRJGVCLI-UHFFFAOYSA-N 0 3 343.181 1.201 20 5 EDBDHN COCCO[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275508081 268353144 /nfs/dbraw/zinc/35/31/44/268353144.db2.gz HQZDTIJSAVDULG-KBPBESRZSA-N 0 3 340.376 1.072 20 5 EDBDHN C[C@@H]1C[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CN1C1CC1 ZINC000273465476 273041598 /nfs/dbraw/zinc/04/15/98/273041598.db2.gz JDMNONCGNBIJPF-ZJUUUORDSA-N 0 3 340.405 1.279 20 5 EDBDHN COc1ccc(S(=O)(=O)NC2(CN(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000281563104 273492621 /nfs/dbraw/zinc/49/26/21/273492621.db2.gz PAULQDGUOXIKCK-UHFFFAOYSA-N 0 3 343.405 1.366 20 5 EDBDHN CN1C(=O)C[C@H](NCCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)cc1 ZINC000368462352 273865394 /nfs/dbraw/zinc/86/53/94/273865394.db2.gz NSXYPILJQSSUDH-GOEBONIOSA-N 0 3 347.350 1.492 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CCN(C)CC2)c1 ZINC000283890699 273999683 /nfs/dbraw/zinc/99/96/83/273999683.db2.gz IUDPGHJFXASYIG-UHFFFAOYSA-N 0 3 337.376 1.180 20 5 EDBDHN Cn1cc([C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]2C(N)=O)cn1 ZINC000284534682 274236505 /nfs/dbraw/zinc/23/65/05/274236505.db2.gz HEIDHCOZMVRNKO-KGLIPLIRSA-N 0 3 329.360 1.029 20 5 EDBDHN CN1CC[C@@H]2OCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000284540082 274238259 /nfs/dbraw/zinc/23/82/59/274238259.db2.gz LPJSGTPFNLHJIX-CVEARBPZSA-N 0 3 346.387 1.389 20 5 EDBDHN C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000367174951 274362176 /nfs/dbraw/zinc/36/21/76/274362176.db2.gz XYRMWWIIRYVDTD-CYBMUJFWSA-N 0 3 333.436 1.782 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C[C@@H]21 ZINC000378491052 277143752 /nfs/dbraw/zinc/14/37/52/277143752.db2.gz FHEPTLKNIRKKPS-MFKMUULPSA-N 0 3 333.344 1.490 20 5 EDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000159983731 279857308 /nfs/dbraw/zinc/85/73/08/279857308.db2.gz URVIWCXAGQJNJN-LBPRGKRZSA-N 0 3 341.795 1.825 20 5 EDBDHN COc1cc(C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000287292809 288202143 /nfs/dbraw/zinc/20/21/43/288202143.db2.gz UTXKBNGINDAKOB-QMMMGPOBSA-N 0 3 347.318 1.885 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000291855202 289197706 /nfs/dbraw/zinc/19/77/06/289197706.db2.gz IFGVXCRBRPUQEC-OAHLLOKOSA-N 0 3 339.417 1.620 20 5 EDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](n2cccn2)C1 ZINC000291889528 289206917 /nfs/dbraw/zinc/20/69/17/289206917.db2.gz QPSHGWAJFUTVAE-ZIAGYGMSSA-N 0 3 332.360 1.478 20 5 EDBDHN Cc1cc(C)c(S(=O)(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000420437796 304757962 /nfs/dbraw/zinc/75/79/62/304757962.db2.gz CWWBEZLXMPBFEM-LBPRGKRZSA-N 0 3 349.359 1.487 20 5 EDBDHN CC1(C)OCC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000293655604 302998956 /nfs/dbraw/zinc/99/89/56/302998956.db2.gz IUWSXWFKHBVYFM-ZDUSSCGKSA-N 0 3 343.405 1.030 20 5 EDBDHN CN(C)[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294530179 303119933 /nfs/dbraw/zinc/11/99/33/303119933.db2.gz IVLKEVIALVLYDZ-CYBMUJFWSA-N 0 3 329.360 1.761 20 5 EDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000296257917 303306149 /nfs/dbraw/zinc/30/61/49/303306149.db2.gz NYQSXSQFJZKRJM-UHFFFAOYSA-N 0 3 339.396 1.779 20 5 EDBDHN Cc1ccnc(N2CCC(C(=O)NCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000301272103 303669695 /nfs/dbraw/zinc/66/96/95/303669695.db2.gz HYWWOKPLTLYDLW-UHFFFAOYSA-N 0 3 335.408 1.192 20 5 EDBDHN COc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377766654 447345164 /nfs/dbraw/zinc/34/51/64/447345164.db2.gz KZDUFLGYXKAWOM-VMGRFDJRSA-N 0 3 349.387 1.519 20 5 EDBDHN O=C1CCCN1C[C@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548721 305352825 /nfs/dbraw/zinc/35/28/25/305352825.db2.gz NXTBAOYMSXLWQH-NVXWUHKLSA-N 0 3 347.415 1.758 20 5 EDBDHN O=C(NC[C@H]1CCCN1CCCO)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000452353923 305391978 /nfs/dbraw/zinc/39/19/78/305391978.db2.gz VBOKVINKNPUADB-CYBMUJFWSA-N 0 3 346.387 1.653 20 5 EDBDHN CS(=O)(=O)C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000550700251 306153776 /nfs/dbraw/zinc/15/37/76/306153776.db2.gz WHCVGMKQXOMCIV-AWEZNQCLSA-N 0 3 328.390 1.386 20 5 EDBDHN CN1CCN(CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000493702935 447375201 /nfs/dbraw/zinc/37/52/01/447375201.db2.gz CXOVXOVLHJPBIN-FPLPWBNLSA-N 0 3 346.431 1.750 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000070871478 441124968 /nfs/dbraw/zinc/12/49/68/441124968.db2.gz QPSKMSHPIIFWGM-ZDUSSCGKSA-N 0 3 344.375 1.390 20 5 EDBDHN CN1CCC(O)(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000080880844 441203300 /nfs/dbraw/zinc/20/33/00/441203300.db2.gz YBKKXQDOFGVTOQ-UHFFFAOYSA-N 0 3 348.403 1.356 20 5 EDBDHN CCN1CCC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000073533947 441322632 /nfs/dbraw/zinc/32/26/32/441322632.db2.gz NKBWOGDIHWYCEU-HNNXBMFYSA-N 0 3 335.408 1.790 20 5 EDBDHN Cc1cc(N2CCC(CN3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000074742979 441462166 /nfs/dbraw/zinc/46/21/66/441462166.db2.gz RVHNPFHILIHKFM-UHFFFAOYSA-N 0 3 333.436 1.762 20 5 EDBDHN CN1CCC[C@@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000139336670 441811665 /nfs/dbraw/zinc/81/16/65/441811665.db2.gz PYAIREDAPQPVTO-CQSZACIVSA-N 0 3 347.419 1.521 20 5 EDBDHN C[C@H]1C[C@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000173749591 441833775 /nfs/dbraw/zinc/83/37/75/441833775.db2.gz KYTOSTMIECYVIU-UONOGXRCSA-N 0 3 334.420 1.972 20 5 EDBDHN CNS(=O)(=O)c1ccc(N[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000809 441878535 /nfs/dbraw/zinc/87/85/35/441878535.db2.gz GVNAPVAJSYQOMW-NSHDSACASA-N 0 3 342.421 1.398 20 5 EDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)[C@@H](O)C1 ZINC000093343451 441880609 /nfs/dbraw/zinc/88/06/09/441880609.db2.gz IVFSTEIVPGONKV-FZMZJTMJSA-N 0 3 337.376 1.635 20 5 EDBDHN CCN(C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118108687 441888657 /nfs/dbraw/zinc/88/86/57/441888657.db2.gz GSMXGVIXCKXXQC-UHFFFAOYSA-N 0 3 328.756 1.255 20 5 EDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]([NH3+])C1 ZINC000125223642 442000000 /nfs/dbraw/zinc/00/00/00/442000000.db2.gz KEGIUSWRVFSRJT-ZJUUUORDSA-N 0 3 329.378 1.152 20 5 EDBDHN O=[N+]([O-])c1ccccc1OCCN1CCN(C2CCOCC2)CC1 ZINC000175490218 442073560 /nfs/dbraw/zinc/07/35/60/442073560.db2.gz WWHNIRMANMUZMS-UHFFFAOYSA-N 0 3 335.404 1.770 20 5 EDBDHN COCCCN(C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000152522714 442222239 /nfs/dbraw/zinc/22/22/39/442222239.db2.gz FVVMAOCZUMNDNY-UHFFFAOYSA-N 0 3 334.376 1.774 20 5 EDBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2cnccc21 ZINC000176978743 442279806 /nfs/dbraw/zinc/27/98/06/442279806.db2.gz VYQWLPXGROHLRN-UHFFFAOYSA-N 0 3 340.386 1.696 20 5 EDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177324113 442328406 /nfs/dbraw/zinc/32/84/06/442328406.db2.gz DAYCVYIQKLCQID-GUTXKFCHSA-N 0 3 333.392 1.124 20 5 EDBDHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000130960405 442361113 /nfs/dbraw/zinc/36/11/13/442361113.db2.gz SIHFDVTYFXSHGF-UHFFFAOYSA-N 0 3 328.166 1.793 20 5 EDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN(C)Cc2ccccc2)n1 ZINC000191570476 442466383 /nfs/dbraw/zinc/46/63/83/442466383.db2.gz WFQLSBHFJKNNAK-UHFFFAOYSA-N 0 3 331.376 1.673 20 5 EDBDHN CN1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000180176647 442553010 /nfs/dbraw/zinc/55/30/10/442553010.db2.gz YNFBDPZFJRCWIV-CJNGLKHVSA-N 0 3 329.360 1.353 20 5 EDBDHN COCCN1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265496186 442796196 /nfs/dbraw/zinc/79/61/96/442796196.db2.gz CCNSXMFADGHAMV-CQSZACIVSA-N 0 3 336.392 1.157 20 5 EDBDHN CN(C)C1(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000189131305 442883251 /nfs/dbraw/zinc/88/32/51/442883251.db2.gz ONZQJTWKPOTNIE-UHFFFAOYSA-N 0 3 327.406 1.700 20 5 EDBDHN CN(C)C1(CN(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000189135568 442884156 /nfs/dbraw/zinc/88/41/56/442884156.db2.gz CXCZEWZCFOGNDA-UHFFFAOYSA-N 0 3 341.433 1.841 20 5 EDBDHN COc1ccc(CN2CCN(CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000189412043 442944927 /nfs/dbraw/zinc/94/49/27/442944927.db2.gz GKHCKMABTPUIND-ZDUSSCGKSA-N 0 3 337.420 1.880 20 5 EDBDHN CN(C[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000265970650 442988662 /nfs/dbraw/zinc/98/86/62/442988662.db2.gz KTIJCFFKBUAFFR-NSHDSACASA-N 0 3 342.421 1.020 20 5 EDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000184295087 443009225 /nfs/dbraw/zinc/00/92/25/443009225.db2.gz UYHUFJJJICWFPH-GFCCVEGCSA-N 0 3 333.392 1.663 20 5 EDBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000266441748 443127112 /nfs/dbraw/zinc/12/71/12/443127112.db2.gz MUVHSFPRUOWNHG-BXKDBHETSA-N 0 3 326.303 1.781 20 5 EDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC000262809199 443213170 /nfs/dbraw/zinc/21/31/70/443213170.db2.gz TUBDFPSGEHNQQP-ZYHUDNBSSA-N 0 3 327.406 1.630 20 5 EDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000264535674 443317338 /nfs/dbraw/zinc/31/73/38/443317338.db2.gz ZSLZARZFPBXJGO-HNNXBMFYSA-N 0 3 346.387 1.620 20 5 EDBDHN O=C1CCCCN1CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266948877 443300066 /nfs/dbraw/zinc/30/00/66/443300066.db2.gz SQSHHGFFRVRTNO-UHFFFAOYSA-N 0 3 335.408 1.516 20 5 EDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000269647341 443377397 /nfs/dbraw/zinc/37/73/97/443377397.db2.gz LKUJCJSFDLAKFQ-PBHICJAKSA-N 0 3 335.404 1.282 20 5 EDBDHN CC1CCN(CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000272528198 443351471 /nfs/dbraw/zinc/35/14/71/443351471.db2.gz OODNIMNJAZNYEK-UHFFFAOYSA-N 0 3 342.421 1.386 20 5 EDBDHN CN(C)[C@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278562892 443363536 /nfs/dbraw/zinc/36/35/36/443363536.db2.gz BDNZCSOUGRYLJY-NSHDSACASA-N 0 3 332.364 1.317 20 5 EDBDHN CCN1CCCC[C@@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000264670441 443368483 /nfs/dbraw/zinc/36/84/83/443368483.db2.gz GQDLPUMPBLHNPI-CQSZACIVSA-N 0 3 337.424 1.789 20 5 EDBDHN C[C@H]1OCC[C@]1(O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000278761720 443428970 /nfs/dbraw/zinc/42/89/70/443428970.db2.gz XKGQQWWPUMKHHA-PXAZEXFGSA-N 0 3 346.387 1.625 20 5 EDBDHN COC[C@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279115718 443515909 /nfs/dbraw/zinc/51/59/09/443515909.db2.gz TXMIQZMGDMUCDR-ZFWWWQNUSA-N 0 3 340.376 1.766 20 5 EDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000273044493 443527739 /nfs/dbraw/zinc/52/77/39/443527739.db2.gz PRLNZFFSTKYLHI-RDJZCZTQSA-N 0 3 346.383 2.000 20 5 EDBDHN CN1CC[C@@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272259433 443571773 /nfs/dbraw/zinc/57/17/73/443571773.db2.gz ALHNZCZEVKGIMO-CJNGLKHVSA-N 0 3 332.404 1.949 20 5 EDBDHN CC[C@H](CNS(C)(=O)=O)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000449443605 320191621 /nfs/dbraw/zinc/19/16/21/320191621.db2.gz UDCQAUYOCCIKCG-FWPCIQOSSA-N 0 3 327.406 1.525 20 5 EDBDHN C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN(C2CC2)C1 ZINC000452568046 320251921 /nfs/dbraw/zinc/25/19/21/320251921.db2.gz GELCWLDSQSGMQW-GFCCVEGCSA-N 0 3 335.408 1.469 20 5 EDBDHN CN1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000298687218 443838796 /nfs/dbraw/zinc/83/87/96/443838796.db2.gz WJCRAHDMKLBWQW-UHFFFAOYSA-N 0 3 326.784 1.824 20 5 EDBDHN Cc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281901472 444035246 /nfs/dbraw/zinc/03/52/46/444035246.db2.gz ZDXIXMYOISRIPK-UHFFFAOYSA-N 0 3 334.420 1.659 20 5 EDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CN1Cc1ccccc1 ZINC000285505014 444009852 /nfs/dbraw/zinc/00/98/52/444009852.db2.gz ASPITJAPFOGZJV-DGCLKSJQSA-N 0 3 329.360 1.711 20 5 EDBDHN CCCN(CCN1CCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000289181967 444071522 /nfs/dbraw/zinc/07/15/22/444071522.db2.gz KWONIEXPUOICLB-UHFFFAOYSA-N 0 3 338.412 1.309 20 5 EDBDHN C[C@@H]1CCN(CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000566771768 321233620 /nfs/dbraw/zinc/23/36/20/321233620.db2.gz IRNQKERIYOEARG-LLVKDONJSA-N 0 3 344.371 1.920 20 5 EDBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000570710856 321354708 /nfs/dbraw/zinc/35/47/08/321354708.db2.gz NFQSQXVRHQVTHJ-AAEUAGOBSA-N 0 3 333.344 1.786 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000301954631 444197933 /nfs/dbraw/zinc/19/79/33/444197933.db2.gz KIIMCCORFOCHJD-MRXNPFEDSA-N 0 3 332.404 1.822 20 5 EDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCn1cc(CO)nn1 ZINC000289787544 444203468 /nfs/dbraw/zinc/20/34/68/444203468.db2.gz JXYXPQQMDMJJBB-UHFFFAOYSA-N 0 3 335.364 1.257 20 5 EDBDHN C[C@H]1C[C@@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CN1C1CC1 ZINC000290834704 444328639 /nfs/dbraw/zinc/32/86/39/444328639.db2.gz VBWDPPJXNGATHX-GXSJLCMTSA-N 0 3 340.405 1.279 20 5 EDBDHN CC[C@](C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000581127115 322139018 /nfs/dbraw/zinc/13/90/18/322139018.db2.gz KSBSKWNTAZGQCX-CQSZACIVSA-N 0 3 330.406 1.773 20 5 EDBDHN CNC(=O)N[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000342354932 444650842 /nfs/dbraw/zinc/65/08/42/444650842.db2.gz NCSDQVKTTGFPNB-GFCCVEGCSA-N 0 3 349.391 1.235 20 5 EDBDHN COC1CCN(C(C)(C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000341263303 444753178 /nfs/dbraw/zinc/75/31/78/444753178.db2.gz PVNPDEILCJOGTP-UHFFFAOYSA-N 0 3 339.396 1.246 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](n3cccn3)C2)c1 ZINC000338722432 444821122 /nfs/dbraw/zinc/82/11/22/444821122.db2.gz BWOUKIWZKCTTAR-CVEARBPZSA-N 0 3 346.387 1.868 20 5 EDBDHN CCN1CC[C@@H]2OCCN(c3ccc(C(=O)NC)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000338735071 444828597 /nfs/dbraw/zinc/82/85/97/444828597.db2.gz ZPZMWGRHZDICNB-CVEARBPZSA-N 0 3 348.403 1.254 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2Cn2ccnn2)c1 ZINC000344351087 444912336 /nfs/dbraw/zinc/91/23/36/444912336.db2.gz VHECKKWODHXABS-HUUCEWRRSA-N 0 3 347.375 1.091 20 5 EDBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000337255244 445005490 /nfs/dbraw/zinc/00/54/90/445005490.db2.gz QXZABAADHNBKPN-UHFFFAOYSA-N 0 3 331.376 1.532 20 5 EDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000342032557 445134709 /nfs/dbraw/zinc/13/47/09/445134709.db2.gz MPMPQPTVIKWSAG-CXAGYDPISA-N 0 3 346.387 1.489 20 5 EDBDHN NC(=O)C[C@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343518898 445237494 /nfs/dbraw/zinc/23/74/94/445237494.db2.gz CBFJSHLRCQLPLS-CHWSQXEVSA-N 0 3 337.376 1.064 20 5 EDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000348001205 445260649 /nfs/dbraw/zinc/26/06/49/445260649.db2.gz JNAYYPKGWCJZQK-STQMWFEESA-N 0 3 336.392 1.259 20 5 EDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348378368 445271345 /nfs/dbraw/zinc/27/13/45/445271345.db2.gz GHJMKTYMOBCHJO-CHWSQXEVSA-N 0 3 339.417 1.651 20 5 EDBDHN Cc1c(NC(=O)CCN(C)[C@]2(CO)CCOC2)cccc1[N+](=O)[O-] ZINC000359833841 445452589 /nfs/dbraw/zinc/45/25/89/445452589.db2.gz NHBCEWHUFKMVJU-INIZCTEOSA-N 0 3 337.376 1.315 20 5 EDBDHN Cc1c(Br)c(N2C[C@@H](O)[C@@H](N(C)C)C2)ncc1[N+](=O)[O-] ZINC000359980983 445512968 /nfs/dbraw/zinc/51/29/68/445512968.db2.gz JDMJXLMSTMBTCV-VHSXEESVSA-N 0 3 345.197 1.172 20 5 EDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000356225136 445685759 /nfs/dbraw/zinc/68/57/59/445685759.db2.gz RQJAYVZZCQTISM-AWEZNQCLSA-N 0 3 343.387 1.723 20 5 EDBDHN COC(=O)C(C)(C)CCN[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000349969968 445737387 /nfs/dbraw/zinc/73/73/87/445737387.db2.gz GPVOAFPSXPGQOE-AWEZNQCLSA-N 0 3 349.387 1.879 20 5 EDBDHN COC(=O)COc1ccc(CN[C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000353771888 445748006 /nfs/dbraw/zinc/74/80/06/445748006.db2.gz BVQBLIVIDDQEDT-LBPRGKRZSA-N 0 3 348.359 1.521 20 5 EDBDHN CCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000350104604 445769796 /nfs/dbraw/zinc/76/97/96/445769796.db2.gz MSQWQRMVWRONIU-UHFFFAOYSA-N 0 3 330.392 1.922 20 5 EDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000373141676 446056134 /nfs/dbraw/zinc/05/61/34/446056134.db2.gz QHNRCHWPSZAERS-HUUCEWRRSA-N 0 3 335.404 1.895 20 5 EDBDHN O=C1O[C@@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC12CCC2 ZINC000373218678 446101847 /nfs/dbraw/zinc/10/18/47/446101847.db2.gz IFVRCUHGNYWEAZ-CYBMUJFWSA-N 0 3 334.376 1.914 20 5 EDBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000373434142 446215749 /nfs/dbraw/zinc/21/57/49/446215749.db2.gz BQZLZOLAPGRAST-JOQOYGCGSA-N 0 3 347.415 1.786 20 5 EDBDHN CN1CC[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000370366056 446248977 /nfs/dbraw/zinc/24/89/77/446248977.db2.gz IRVFJKTXYNXQMS-HOCLYGCPSA-N 0 3 332.404 1.873 20 5 EDBDHN CCCc1n[nH]c(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000370880557 446496381 /nfs/dbraw/zinc/49/63/81/446496381.db2.gz GRZVJHQBYXDMBS-STQMWFEESA-N 0 3 335.408 1.969 20 5 EDBDHN CCCc1[nH]nc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000370880557 446496384 /nfs/dbraw/zinc/49/63/84/446496384.db2.gz GRZVJHQBYXDMBS-STQMWFEESA-N 0 3 335.408 1.969 20 5 EDBDHN C[C@@H]1CN(CCCNc2ncnc3cccc([N+](=O)[O-])c32)CCCO1 ZINC000432880491 446513611 /nfs/dbraw/zinc/51/36/11/446513611.db2.gz NYGVZSVVUCLUKZ-CYBMUJFWSA-N 0 3 345.403 2.451 20 5 EDBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCSC1 ZINC000433207769 446548005 /nfs/dbraw/zinc/54/80/05/446548005.db2.gz SEFJYXFKMWYTAF-CQSZACIVSA-N 0 3 341.433 1.601 20 5 EDBDHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420441905 446617171 /nfs/dbraw/zinc/61/71/71/446617171.db2.gz PEZWXOQRXRMWIK-BQBZGAKWSA-N 0 3 341.311 1.628 20 5 EDBDHN Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420476362 446649326 /nfs/dbraw/zinc/64/93/26/446649326.db2.gz YAKXQVLRCCRCLJ-NWDGAFQWSA-N 0 3 327.406 1.699 20 5 EDBDHN CC(C)OC[C@@H](CO)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411636379 446631349 /nfs/dbraw/zinc/63/13/49/446631349.db2.gz OSFHNKUXVZJOQC-OAHLLOKOSA-N 0 3 339.392 1.641 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCOCC3(CCC3)C2)c1 ZINC000375188402 446631662 /nfs/dbraw/zinc/63/16/62/446631662.db2.gz SWIDTHYYUCBISO-OAHLLOKOSA-N 0 3 336.388 1.837 20 5 EDBDHN O=C(NC[C@H]1CNCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418774279 446691924 /nfs/dbraw/zinc/69/19/24/446691924.db2.gz UZKXTPPOVXAQPC-OAHLLOKOSA-N 0 3 334.376 1.257 20 5 EDBDHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418778345 446695568 /nfs/dbraw/zinc/69/55/68/446695568.db2.gz INMPDEXQXLXWQZ-WCQYABFASA-N 0 3 336.392 1.262 20 5 EDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000368324792 446787004 /nfs/dbraw/zinc/78/70/04/446787004.db2.gz UOIMHRDCBXUQLB-SUMWQHHRSA-N 0 3 346.387 1.713 20 5 EDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@]2(CO)Cc2ccccc2)n1 ZINC000375467354 446823135 /nfs/dbraw/zinc/82/31/35/446823135.db2.gz IGUFROIVYSYROB-QGZVFWFLSA-N 0 3 330.388 1.861 20 5 EDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000371383501 446823136 /nfs/dbraw/zinc/82/31/36/446823136.db2.gz FFQHGHPGBDKUNL-NSHDSACASA-N 0 3 331.380 1.703 20 5 EDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)C1 ZINC000375497006 446848561 /nfs/dbraw/zinc/84/85/61/446848561.db2.gz PGUDSGBFKOMFRD-CQSZACIVSA-N 0 3 347.419 1.029 20 5 EDBDHN CNc1nc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000456027401 447286955 /nfs/dbraw/zinc/28/69/55/447286955.db2.gz GRXOXZATPALDSQ-NSHDSACASA-N 0 3 333.392 1.588 20 5 EDBDHN O=[N+]([O-])c1ccc(-c2noc([N-]C[C@H]3CCC[N@H+]3CCCO)n2)cc1 ZINC000450588316 447531375 /nfs/dbraw/zinc/53/13/75/447531375.db2.gz AWQHZDKMUJOWQT-CQSZACIVSA-N 0 3 347.375 1.904 20 5 EDBDHN O=[N+]([O-])c1ccc(-c2noc([N-]C[C@H]3CCC[N@@H+]3CCCO)n2)cc1 ZINC000450588316 447531380 /nfs/dbraw/zinc/53/13/80/447531380.db2.gz AWQHZDKMUJOWQT-CQSZACIVSA-N 0 3 347.375 1.904 20 5 EDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2CCCO)n1 ZINC000450597489 447534355 /nfs/dbraw/zinc/53/43/55/447534355.db2.gz OXYLYGHBRQIXJO-LLVKDONJSA-N 0 3 338.364 1.035 20 5 EDBDHN COc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc([N+](=O)[O-])c1OC ZINC000525570413 448005225 /nfs/dbraw/zinc/00/52/25/448005225.db2.gz CBRCTDMSGNUROR-CYBMUJFWSA-N 0 3 349.387 1.922 20 5 EDBDHN Cc1nn(C)cc1[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000553094002 447973041 /nfs/dbraw/zinc/97/30/41/447973041.db2.gz RPBQUTAVHCCRGA-FZMZJTMJSA-N 0 3 334.376 1.727 20 5 EDBDHN COCCN(C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491576872 448061652 /nfs/dbraw/zinc/06/16/52/448061652.db2.gz PZGVYYPVINIEQM-XQRVVYSFSA-N 0 3 325.340 1.442 20 5 EDBDHN CO[C@@](C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000576512303 448071295 /nfs/dbraw/zinc/07/12/95/448071295.db2.gz WVUMNPSIWBUDBV-HNNXBMFYSA-N 0 3 342.417 1.773 20 5 EDBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000507504295 448143803 /nfs/dbraw/zinc/14/38/03/448143803.db2.gz ITZZNSDYOZKHKB-DGCLKSJQSA-N 0 3 329.360 1.883 20 5 EDBDHN CC(C)(C(=O)NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000514796106 448205367 /nfs/dbraw/zinc/20/53/67/448205367.db2.gz CIKQSYXJRAKAOC-SFHVURJKSA-N 0 3 347.415 1.445 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000571979333 448252003 /nfs/dbraw/zinc/25/20/03/448252003.db2.gz KTULCXGCDZLJDN-NSHDSACASA-N 0 3 348.403 1.608 20 5 EDBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000536443040 448524510 /nfs/dbraw/zinc/52/45/10/448524510.db2.gz XNFYXNPPFONEFX-UHFFFAOYSA-N 0 3 346.387 1.843 20 5 EDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3ccccc3F)CCC2)c1 ZINC000592144242 448704087 /nfs/dbraw/zinc/70/40/87/448704087.db2.gz GAUCNXHZXLDXTN-CYBMUJFWSA-N 0 3 334.351 1.960 20 5 EDBDHN O=C(NCc1ccccc1)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592153566 448714413 /nfs/dbraw/zinc/71/44/13/448714413.db2.gz BYCYSGLSUFLTMR-OAHLLOKOSA-N 0 3 343.387 1.430 20 5 EDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC[C@H](CO)CC2)cc1 ZINC000579239502 448750589 /nfs/dbraw/zinc/75/05/89/448750589.db2.gz AKURIQIUBXKVTE-JOCQHMNTSA-N 0 3 342.417 1.509 20 5 EDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN2CC[C@@H](C)C2)c1F ZINC000574289870 448839154 /nfs/dbraw/zinc/83/91/54/448839154.db2.gz YIKLRKBMMDHOGZ-LLVKDONJSA-N 0 3 339.367 1.743 20 5 EDBDHN CC(C)Oc1nc(NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000520838159 448937926 /nfs/dbraw/zinc/93/79/26/448937926.db2.gz RPKGYKBJRNGKOS-CYBMUJFWSA-N 0 3 338.408 2.036 20 5 EDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588864070 448943659 /nfs/dbraw/zinc/94/36/59/448943659.db2.gz ZYSUEAJYXOVWFL-HZPDHXFCSA-N 0 3 333.388 1.195 20 5 EDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592870402 449028629 /nfs/dbraw/zinc/02/86/29/449028629.db2.gz CPTVSYAPEMMYRI-ZDUSSCGKSA-N 0 3 348.403 1.404 20 5 EDBDHN O=[N+]([O-])c1ccc(OCCN2CCC(Cn3cnnc3)CC2)cc1 ZINC000593075565 449123873 /nfs/dbraw/zinc/12/38/73/449123873.db2.gz HPYQJYOEBJVAOW-UHFFFAOYSA-N 0 3 331.376 1.977 20 5 EDBDHN CCOC(=O)c1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590441249 449163244 /nfs/dbraw/zinc/16/32/44/449163244.db2.gz CSSOQKQJFLHLGN-NHYWBVRUSA-N 0 3 347.371 1.548 20 5 EDBDHN CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CCN(C)CC1 ZINC000599985596 449138086 /nfs/dbraw/zinc/13/80/86/449138086.db2.gz HFZIDGLFZSTFRT-UHFFFAOYSA-N 0 3 337.424 1.741 20 5 EDBDHN CSc1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC000590371988 449138749 /nfs/dbraw/zinc/13/87/49/449138749.db2.gz RPRCBJJSGFMCTJ-LBPRGKRZSA-N 0 3 339.417 1.503 20 5 EDBDHN C[C@]12COC[C@@H]1CN(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000595755401 449149504 /nfs/dbraw/zinc/14/95/04/449149504.db2.gz ADKPVEBKJCBJPD-SJCJKPOMSA-N 0 3 347.371 1.861 20 5 EDBDHN O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000597990299 449175481 /nfs/dbraw/zinc/17/54/81/449175481.db2.gz LBTZRALABWGXSS-AWEZNQCLSA-N 0 3 345.355 1.684 20 5 EDBDHN COCC1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000590601309 449215314 /nfs/dbraw/zinc/21/53/14/449215314.db2.gz RAOOQNUURARRKS-UHFFFAOYSA-N 0 3 349.387 1.269 20 5 EDBDHN COCCN1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593459983 449295721 /nfs/dbraw/zinc/29/57/21/449295721.db2.gz YLMKLHCRPCZBRE-ZDUSSCGKSA-N 0 3 325.340 1.113 20 5 EDBDHN CCN1CCN([C@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525605 449321434 /nfs/dbraw/zinc/32/14/34/449321434.db2.gz ODABDNLGWSRYFR-GFCCVEGCSA-N 0 3 337.424 1.107 20 5 EDBDHN CC[NH+]1CCC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593552101 449343178 /nfs/dbraw/zinc/34/31/78/449343178.db2.gz IEBQYURHSZFHRD-UHFFFAOYSA-N 0 3 342.421 1.390 20 5 EDBDHN CN(C)CCOc1ccccc1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596118219 449372174 /nfs/dbraw/zinc/37/21/74/449372174.db2.gz SRJQZEHUSFMLFG-UHFFFAOYSA-N 0 3 331.376 2.125 20 5 EDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594202826 449389369 /nfs/dbraw/zinc/38/93/69/449389369.db2.gz SKAPYYHMTMQGTM-KGLIPLIRSA-N 0 3 335.408 1.623 20 5 EDBDHN COCCN1CCC[C@@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710717 449390832 /nfs/dbraw/zinc/39/08/32/449390832.db2.gz NLQSEKINNPFYSF-CYBMUJFWSA-N 0 3 331.376 2.061 20 5 EDBDHN CCc1nn(C)c(N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596267884 449446983 /nfs/dbraw/zinc/44/69/83/449446983.db2.gz BGIBFGMNMCVNIP-UHFFFAOYSA-N 0 3 337.424 1.582 20 5 EDBDHN NC(=O)c1ccc(N2CCC(N3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000596269752 449448179 /nfs/dbraw/zinc/44/81/79/449448179.db2.gz ZUQWOXCBLXOEOT-UHFFFAOYSA-N 0 3 348.403 1.385 20 5 EDBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000598536325 449451970 /nfs/dbraw/zinc/45/19/70/449451970.db2.gz RRGKILOVGKIOPV-CYBMUJFWSA-N 0 3 336.392 1.638 20 5 EDBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594394278 449490593 /nfs/dbraw/zinc/49/05/93/449490593.db2.gz WETFGDJJZAJWAQ-NWDGAFQWSA-N 0 3 342.355 1.034 20 5 EDBDHN O=C1[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C1CCC1 ZINC000600759465 449537574 /nfs/dbraw/zinc/53/75/74/449537574.db2.gz GPNKJGNFOHHECA-KGLIPLIRSA-N 0 3 349.387 1.078 20 5 EDBDHN O=[N+]([O-])c1cnc(NCC2CCN(Cc3ccncc3)CC2)nc1 ZINC000596442777 449505215 /nfs/dbraw/zinc/50/52/15/449505215.db2.gz ULAVSHSZILNCOR-UHFFFAOYSA-N 0 3 328.376 2.104 20 5 EDBDHN C[C@H]1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC000602558707 449673222 /nfs/dbraw/zinc/67/32/22/449673222.db2.gz DFVWYJNGXRJCSA-LRDDRELGSA-N 0 3 343.387 1.654 20 5 EDBDHN CN1CCN(CC2CN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000599097252 449729547 /nfs/dbraw/zinc/72/95/47/449729547.db2.gz CEMODHCCNJVYDH-UHFFFAOYSA-N 0 3 341.415 1.827 20 5 EDBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)nc1-c1ccccc1 ZINC000599176274 449780375 /nfs/dbraw/zinc/78/03/75/449780375.db2.gz OWVODEIOEZTBCI-CQSZACIVSA-N 0 3 328.372 2.135 20 5 EDBDHN CN(C)CCn1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])cn1 ZINC000601249744 449774183 /nfs/dbraw/zinc/77/41/83/449774183.db2.gz GFORVMDIIIBJSR-UHFFFAOYSA-N 0 3 331.376 1.325 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)CC3(O)CCC3)C2)nc1 ZINC000599326227 449894990 /nfs/dbraw/zinc/89/49/90/449894990.db2.gz TYJBBHXONWMJGI-OCCSQVGLSA-N 0 3 336.392 1.142 20 5 EDBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000601420670 449937116 /nfs/dbraw/zinc/93/71/16/449937116.db2.gz FCYXSVBEGOHFDD-RISCZKNCSA-N 0 3 327.406 1.449 20 5 EDBDHN Cc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000601420255 449937429 /nfs/dbraw/zinc/93/74/29/449937429.db2.gz CPZVWPWFJMOLHI-QWHCGFSZSA-N 0 3 341.433 1.925 20 5 EDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000602959776 449960290 /nfs/dbraw/zinc/96/02/90/449960290.db2.gz GPGFGKVRNISOAH-STQMWFEESA-N 0 3 333.392 1.811 20 5 EDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000609190577 449975330 /nfs/dbraw/zinc/97/53/30/449975330.db2.gz HXMOCQFNEYUSAO-UHFFFAOYSA-N 0 3 348.403 1.673 20 5 EDBDHN CN(C)CCn1cc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000609440397 450028378 /nfs/dbraw/zinc/02/83/78/450028378.db2.gz WMKRZCHTIHZVMQ-UHFFFAOYSA-N 0 3 347.375 1.736 20 5 EDBDHN CCN1CCCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609531547 450044463 /nfs/dbraw/zinc/04/44/63/450044463.db2.gz TZTISTQVWJIBLM-NSHDSACASA-N 0 3 335.360 1.928 20 5 EDBDHN CN1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000609548640 450048214 /nfs/dbraw/zinc/04/82/14/450048214.db2.gz RHXHVQFLZQXFSD-SNVBAGLBSA-N 0 3 330.344 1.673 20 5 EDBDHN COc1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609572557 450055333 /nfs/dbraw/zinc/05/53/33/450055333.db2.gz CXJFMMTZVKRHSX-HOCLYGCPSA-N 0 3 335.404 1.634 20 5 EDBDHN C[C@@H](O)CN(Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610369800 450202380 /nfs/dbraw/zinc/20/23/80/450202380.db2.gz DSBQYKPVONTNDB-CZUORRHYSA-N 0 3 334.376 1.035 20 5 EDBDHN CC(C)(CO)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccnc1 ZINC000595502283 450190443 /nfs/dbraw/zinc/19/04/43/450190443.db2.gz YFNMICQPQZUOMP-INIZCTEOSA-N 0 3 346.387 1.501 20 5 EDBDHN CCCOc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610336071 450194738 /nfs/dbraw/zinc/19/47/38/450194738.db2.gz HWMJFXGLYBHOPT-HNNXBMFYSA-N 0 3 334.376 1.731 20 5 EDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000603422971 450295125 /nfs/dbraw/zinc/29/51/25/450295125.db2.gz KWZSXHPUTBCVKO-MRXNPFEDSA-N 0 3 334.420 1.803 20 5 EDBDHN CN(C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)c2ccccc2O1 ZINC000610761962 450326465 /nfs/dbraw/zinc/32/64/65/450326465.db2.gz QMNXMINTOHXJGN-LBPRGKRZSA-N 0 3 344.371 1.903 20 5 EDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154686826 533895743 /nfs/dbraw/zinc/89/57/43/533895743.db2.gz PSRKGZIVTAJYTA-WFASDCNBSA-N 0 3 341.433 1.697 20 5 EDBDHN CSc1ccc(C(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000153019223 534185442 /nfs/dbraw/zinc/18/54/42/534185442.db2.gz APJQXKPBGCGGGE-CQSZACIVSA-N 0 3 327.406 1.359 20 5 EDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(n3cncn3)CC2)c1 ZINC000363376718 527391376 /nfs/dbraw/zinc/39/13/76/527391376.db2.gz PPBINSQPWNIOKU-HNNXBMFYSA-N 0 3 347.375 1.263 20 5 EDBDHN CC(C)(C)CCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174747463 527664342 /nfs/dbraw/zinc/66/43/42/527664342.db2.gz SUTQJWDVPASEQJ-OAHLLOKOSA-N 0 3 339.440 1.206 20 5 EDBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000271723966 535250136 /nfs/dbraw/zinc/25/01/36/535250136.db2.gz QOJGAZLREDJLBJ-LBPRGKRZSA-N 0 3 340.330 1.955 20 5 EDBDHN CN(C)CCOc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000345285865 535918558 /nfs/dbraw/zinc/91/85/58/535918558.db2.gz YUMNWYJDVPCALC-UHFFFAOYSA-N 0 3 333.348 1.188 20 5 EDBDHN CC(C)[N@@H+]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000735882085 578932421 /nfs/dbraw/zinc/93/24/21/578932421.db2.gz OHHKIWWPRHEKDC-UHFFFAOYSA-N 0 3 331.380 1.695 20 5 EDBDHN CC(C)[N@H+]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000735882085 578932423 /nfs/dbraw/zinc/93/24/23/578932423.db2.gz OHHKIWWPRHEKDC-UHFFFAOYSA-N 0 3 331.380 1.695 20 5 EDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C[NH+]1CCCCC1 ZINC000736027200 578947861 /nfs/dbraw/zinc/94/78/61/578947861.db2.gz ZMHXFZNVYHOLSF-LLVKDONJSA-N 0 3 346.395 1.704 20 5 EDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C[NH+]1CCCCC1 ZINC000736027200 578947862 /nfs/dbraw/zinc/94/78/62/578947862.db2.gz ZMHXFZNVYHOLSF-LLVKDONJSA-N 0 3 346.395 1.704 20 5 EDBDHN O=C(NCCCN1CCC(O)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000736192467 578961297 /nfs/dbraw/zinc/96/12/97/578961297.db2.gz OQYAFTZGADTHTF-UHFFFAOYSA-N 0 3 325.340 1.311 20 5 EDBDHN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736290801 578974211 /nfs/dbraw/zinc/97/42/11/578974211.db2.gz CBOCINHGRYLSDP-ZYHUDNBSSA-N 0 3 329.364 1.448 20 5 EDBDHN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736290801 578974212 /nfs/dbraw/zinc/97/42/12/578974212.db2.gz CBOCINHGRYLSDP-ZYHUDNBSSA-N 0 3 329.364 1.448 20 5 EDBDHN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736290801 578974213 /nfs/dbraw/zinc/97/42/13/578974213.db2.gz CBOCINHGRYLSDP-ZYHUDNBSSA-N 0 3 329.364 1.448 20 5 EDBDHN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736290801 578974214 /nfs/dbraw/zinc/97/42/14/578974214.db2.gz CBOCINHGRYLSDP-ZYHUDNBSSA-N 0 3 329.364 1.448 20 5 EDBDHN COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737005447 579039822 /nfs/dbraw/zinc/03/98/22/579039822.db2.gz SBZMFRPFJZWPTH-LBPRGKRZSA-N 0 3 347.379 1.298 20 5 EDBDHN COCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737005447 579039823 /nfs/dbraw/zinc/03/98/23/579039823.db2.gz SBZMFRPFJZWPTH-LBPRGKRZSA-N 0 3 347.379 1.298 20 5 EDBDHN COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737005447 579039824 /nfs/dbraw/zinc/03/98/24/579039824.db2.gz SBZMFRPFJZWPTH-LBPRGKRZSA-N 0 3 347.379 1.298 20 5 EDBDHN COCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737005447 579039825 /nfs/dbraw/zinc/03/98/25/579039825.db2.gz SBZMFRPFJZWPTH-LBPRGKRZSA-N 0 3 347.379 1.298 20 5 EDBDHN Cc1nn(CN2CCN([C@H]3CCCN(C)C3)CC2)c(C)c1[N+](=O)[O-] ZINC000738209242 579172583 /nfs/dbraw/zinc/17/25/83/579172583.db2.gz OSJBBWBEEOHVTK-HNNXBMFYSA-N 0 3 336.440 1.077 20 5 EDBDHN CN(C)C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000749391175 579724743 /nfs/dbraw/zinc/72/47/43/579724743.db2.gz AYDZGOTVLVPGFO-GFCCVEGCSA-N 0 3 341.433 1.776 20 5 EDBDHN C/C(=C/C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000751746314 579820097 /nfs/dbraw/zinc/82/00/97/579820097.db2.gz RSTYCIAUIKYZDS-RKXUAZDKSA-N 0 3 345.399 1.978 20 5 EDBDHN CC(=O)OC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000753186806 579874427 /nfs/dbraw/zinc/87/44/27/579874427.db2.gz DZSSHIBTAPJJNH-AWEZNQCLSA-N 0 3 338.360 1.362 20 5 EDBDHN COC(=O)C[C@@]1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000770699940 580268316 /nfs/dbraw/zinc/26/83/16/580268316.db2.gz PCXAPWPPPROSJF-ZBFHGGJFSA-N 0 3 338.360 1.330 20 5 EDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000776590137 580422866 /nfs/dbraw/zinc/42/28/66/580422866.db2.gz YKGPAQWFIAXZPD-YOEHRIQHSA-N 0 3 335.404 1.282 20 5 EDBDHN CC(C)[C@H](CN(C)C)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781968197 580562019 /nfs/dbraw/zinc/56/20/19/580562019.db2.gz AMJAJCKVWQEEPJ-HOCLYGCPSA-N 0 3 348.403 1.790 20 5 EDBDHN COc1ccc(CNC(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000892211725 590865595 /nfs/dbraw/zinc/86/55/95/590865595.db2.gz MBEDCYAVTSUCRF-LBPRGKRZSA-N 0 3 336.392 1.744 20 5 EDBDHN Cn1ncc([N+](=O)[O-])c1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000894204878 591227446 /nfs/dbraw/zinc/22/74/46/591227446.db2.gz DRHRLVNRYPTCIJ-UHFFFAOYSA-N 0 3 345.403 1.767 20 5 EDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@]1(O)CCCN(C)C1 ZINC000908055003 592277135 /nfs/dbraw/zinc/27/71/35/592277135.db2.gz RXOWOFSVZOTFTI-QGZVFWFLSA-N 0 3 335.404 1.443 20 5 EDBDHN O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CCN2CCC[C@H]2C1 ZINC000906594112 592860685 /nfs/dbraw/zinc/86/06/85/592860685.db2.gz HJCHPXLYSKLQMM-LBPRGKRZSA-N 0 3 347.371 1.676 20 5 EDBDHN Cc1cc(Cl)c(C(=O)N(C)CCN(C)CCO)cc1[N+](=O)[O-] ZINC000912599345 593107388 /nfs/dbraw/zinc/10/73/88/593107388.db2.gz NZKBVQPRBJFKSD-UHFFFAOYSA-N 0 3 329.784 1.553 20 5 EDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CO)CN1CCCC1 ZINC000808220339 593242288 /nfs/dbraw/zinc/24/22/88/593242288.db2.gz CVPKZUJTVZDRRH-GFCCVEGCSA-N 0 3 341.795 1.364 20 5 EDBDHN COc1ccc(C(=O)N2CCC[C@H]2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105397 593517905 /nfs/dbraw/zinc/51/79/05/593517905.db2.gz YSXZVLCBTRMYOB-FZMZJTMJSA-N 0 3 336.344 1.508 20 5 EDBDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813105342 593517951 /nfs/dbraw/zinc/51/79/51/593517951.db2.gz LZAQDQMVPWZUEF-CHWSQXEVSA-N 0 3 329.397 1.663 20 5 EDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(NC(C)=O)c1OC ZINC000813114694 593518818 /nfs/dbraw/zinc/51/88/18/593518818.db2.gz VGYVQLVZVOYJAE-MRVPVSSYSA-N 0 3 326.305 1.484 20 5 EDBDHN CN1CCC(ONC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000816533976 593530522 /nfs/dbraw/zinc/53/05/22/593530522.db2.gz RLHJMKISCNEEKU-UHFFFAOYSA-N 0 3 345.359 1.536 20 5 EDBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000817120801 593572638 /nfs/dbraw/zinc/57/26/38/593572638.db2.gz NUYRKCJYWSPMLZ-CYBMUJFWSA-N 0 3 348.403 1.749 20 5 EDBDHN O=C(NC[C@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818007425 593656346 /nfs/dbraw/zinc/65/63/46/593656346.db2.gz ACSXEHFYDVHTGP-CQSZACIVSA-N 0 3 348.403 1.303 20 5 EDBDHN