smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1cccc(C)c1 ZINC000340707936 520090699 /nfs/dbraw/zinc/09/06/99/520090699.db2.gz MRHXYHJHHGMWNI-UHFFFAOYSA-N -1 1 273.292 2.898 20 5 CFBDMM CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(F)c(Cl)c1 ZINC000334978572 523938331 /nfs/dbraw/zinc/93/83/31/523938331.db2.gz KKSYATABAIIAJX-UHFFFAOYSA-N -1 1 297.673 2.992 20 5 CFBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c1 ZINC000336487380 525241434 /nfs/dbraw/zinc/24/14/34/525241434.db2.gz IUUGGYZIUJUKDQ-UHFFFAOYSA-N -1 1 259.265 2.792 20 5 CFBDMM Cc1c(F)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000336410010 525813363 /nfs/dbraw/zinc/81/33/63/525813363.db2.gz FSAHAHUYYGOSCB-UHFFFAOYSA-N -1 1 263.228 2.623 20 5 CFBDMM O=C(Nc1ccccc1Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000336440303 527416714 /nfs/dbraw/zinc/41/67/14/527416714.db2.gz HSZQZBQRVFQLAE-UHFFFAOYSA-N -1 1 265.656 2.829 20 5 CFBDMM C[C@]1(C(=O)[O-])CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000828028844 604795586 /nfs/dbraw/zinc/79/55/86/604795586.db2.gz FCUDKTSIIYKZOB-ZDUSSCGKSA-N -1 1 298.726 2.545 20 5 CFBDMM Cc1noc(C)c1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000066960919 619094630 /nfs/dbraw/zinc/09/46/30/619094630.db2.gz NZRWSPZORPQYDF-UHFFFAOYSA-N -1 1 297.217 2.730 20 5 CFBDMM CC/C=C/CCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000767576930 627262791 /nfs/dbraw/zinc/26/27/91/627262791.db2.gz JTDMUCKYZTVBDO-ONEGZZNKSA-N -1 1 265.265 2.814 20 5 CFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccncc1 ZINC000780076381 628431138 /nfs/dbraw/zinc/43/11/38/628431138.db2.gz PROTXOBUCWDTFV-SECBINFHSA-N -1 1 288.259 2.613 20 5 CFBDMM Cc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790371501 629235530 /nfs/dbraw/zinc/23/55/30/629235530.db2.gz UUMOGBLWWMSUCG-UHFFFAOYSA-N -1 1 293.254 2.899 20 5 CFBDMM CCN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)C(=O)[O-] ZINC000852734165 634816511 /nfs/dbraw/zinc/81/65/11/634816511.db2.gz FMULOVWNYZDJEG-MRVPVSSYSA-N -1 1 286.715 2.543 20 5 CFBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccnc(F)c1F ZINC000097865090 651045994 /nfs/dbraw/zinc/04/59/94/651045994.db2.gz WFRKKQJFPJZUPQ-UHFFFAOYSA-N -1 1 297.192 2.659 20 5 CFBDMM CCCC/C=C/[C@@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228140969 776406464 /nfs/dbraw/zinc/40/64/64/776406464.db2.gz OMMXEDQYOPCTHT-XCODYQFDSA-N -1 1 267.285 2.604 20 5 CFBDMM CC1(C)C(=O)CCC[C@@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396328 776799129 /nfs/dbraw/zinc/79/91/29/776799129.db2.gz RWXPLRRDNRYEEG-ZDUSSCGKSA-N -1 1 279.292 2.827 20 5 CFBDMM COC(C)(C)C[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229399641 776801347 /nfs/dbraw/zinc/80/13/47/776801347.db2.gz MRKSKZFCHMXHNE-SECBINFHSA-N -1 1 269.297 2.883 20 5 CFBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3CCOC3)ccc12 ZINC001229518202 776837169 /nfs/dbraw/zinc/83/71/69/776837169.db2.gz RRXOHMOGJFGYHJ-GFCCVEGCSA-N -1 1 298.294 2.820 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CC[C@H](C)C2)n1 ZINC001231259807 777179117 /nfs/dbraw/zinc/17/91/17/777179117.db2.gz PVPQQCGFGRHKTK-IONNQARKSA-N -1 1 252.270 2.571 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CC3CCC2CC3)n1 ZINC001231260002 777179136 /nfs/dbraw/zinc/17/91/36/777179136.db2.gz QPDBYUOXQZVASF-RTYFJBAXSA-N -1 1 278.308 2.961 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)C2CCCC2)n1 ZINC001231265158 777181634 /nfs/dbraw/zinc/18/16/34/777181634.db2.gz ZIPOQIDRZINLSQ-SECBINFHSA-N -1 1 266.297 2.961 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CC[C@@H](C)CC2)n1 ZINC001231264806 777181663 /nfs/dbraw/zinc/18/16/63/777181663.db2.gz UYNSNJDIEIEOPZ-WAAGHKOSSA-N -1 1 266.297 2.961 20 5 CFBDMM CCOC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233496807 777968947 /nfs/dbraw/zinc/96/89/47/777968947.db2.gz APRYQXLFGOTYDT-SSDOTTSWSA-N -1 1 299.714 2.928 20 5 CFBDMM C[C@@]1(C(=O)[O-])CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000079488618 347306495 /nfs/dbraw/zinc/30/64/95/347306495.db2.gz MZFBIAZKVMNZPK-ZDUSSCGKSA-N -1 1 298.726 2.687 20 5 CFBDMM CC[C@@]1(C(=O)[O-])CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000086784082 179331851 /nfs/dbraw/zinc/33/18/51/179331851.db2.gz MEVIFXWRXANSIW-CYBMUJFWSA-N -1 1 298.364 2.733 20 5 CFBDMM CCCc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2C)[n-]1 ZINC000601937069 350809251 /nfs/dbraw/zinc/80/92/51/350809251.db2.gz YGPBZYDTPFIZMI-UHFFFAOYSA-N -1 1 261.281 2.796 20 5 CFBDMM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2C)c(=O)c1C1CC1 ZINC000601944734 350812811 /nfs/dbraw/zinc/81/28/11/350812811.db2.gz ZXKYREGFJDDVMI-CYBMUJFWSA-N -1 1 273.292 2.652 20 5 CFBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([O-])c(F)c1 ZINC000613440818 351960486 /nfs/dbraw/zinc/96/04/86/351960486.db2.gz URHYKMZJXMRQLX-UHFFFAOYSA-N -1 1 276.223 2.692 20 5 CFBDMM O=[N+]([O-])c1ccsc1[N-]c1cnn(C[C@@H]2CCCO2)c1 ZINC000301930794 201266732 /nfs/dbraw/zinc/26/67/32/201266732.db2.gz KZNMVODRAJACRU-JTQLQIEISA-N -1 1 294.336 2.775 20 5 CFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1 ZINC000032590632 372447251 /nfs/dbraw/zinc/44/72/51/372447251.db2.gz FXHVVAPUNVPEGR-UHFFFAOYSA-N -1 1 292.316 2.704 20 5 CFBDMM COc1cc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1F ZINC000125562586 377171293 /nfs/dbraw/zinc/17/12/93/377171293.db2.gz UVRVVVLRPDQCRQ-UHFFFAOYSA-N -1 1 298.201 2.727 20 5 CFBDMM O=C(Nc1cccc2c1OCCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000341462348 381027037 /nfs/dbraw/zinc/02/70/37/381027037.db2.gz OBZRYXTWAAVTBB-UHFFFAOYSA-N -1 1 287.275 2.500 20 5 CFBDMM CCC(CC)CN(CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186933453 382050567 /nfs/dbraw/zinc/05/05/67/382050567.db2.gz JYTGQENZYSTETQ-UHFFFAOYSA-N -1 1 295.339 2.594 20 5 CFBDMM C[C@H](CCC(C)(C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193601080 382721457 /nfs/dbraw/zinc/72/14/57/382721457.db2.gz HMWDPULCCUALJY-SECBINFHSA-N -1 1 295.339 2.640 20 5 CFBDMM Cc1cc2c(cc1C)N(C(=O)c1ccc([N+](=O)[O-])[n-]1)CC2 ZINC000286180660 385568072 /nfs/dbraw/zinc/56/80/72/385568072.db2.gz AYCOCRBBMGWAPW-UHFFFAOYSA-N -1 1 285.303 2.743 20 5 CFBDMM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000436824976 394025198 /nfs/dbraw/zinc/02/51/98/394025198.db2.gz BLDFFBBWXWTEML-UHFFFAOYSA-N -1 1 276.223 2.692 20 5 CFBDMM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000355401711 155000171 /nfs/dbraw/zinc/00/01/71/155000171.db2.gz YDUPNWFWSHIJEG-UHFFFAOYSA-N -1 1 297.274 2.565 20 5 CFBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000082192756 527236081 /nfs/dbraw/zinc/23/60/81/527236081.db2.gz YJKLSDLKVTZVRO-UHFFFAOYSA-N -1 1 282.639 2.799 20 5 CFBDMM CCN(CCC(=O)[O-])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633506 601113018 /nfs/dbraw/zinc/11/30/18/601113018.db2.gz UMFICRKJPFCGKC-UHFFFAOYSA-N -1 1 286.715 2.545 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CC3(Cl)Cl)no2)[n-]1 ZINC000896802067 619822185 /nfs/dbraw/zinc/82/21/85/619822185.db2.gz VRYYRZBADIQKBD-BYPYZUCNSA-N -1 1 289.078 2.634 20 5 CFBDMM C[C@H](C(=O)[O-])N(Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000263058258 620100318 /nfs/dbraw/zinc/10/03/18/620100318.db2.gz FFHVRKKRQWBUHK-MRVPVSSYSA-N -1 1 298.726 2.686 20 5 CFBDMM CCCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)co1 ZINC000763190118 626969401 /nfs/dbraw/zinc/96/94/01/626969401.db2.gz SWHQXUUNRZMDFO-UHFFFAOYSA-N -1 1 293.254 2.927 20 5 CFBDMM O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc([O-])cc1F ZINC000773570086 627837979 /nfs/dbraw/zinc/83/79/79/627837979.db2.gz MQDCMCBBOBSDFY-UHFFFAOYSA-N -1 1 291.234 2.797 20 5 CFBDMM CC(C)(C)OCCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074091 628430515 /nfs/dbraw/zinc/43/05/15/628430515.db2.gz CKJIFUWFLNCKHO-UHFFFAOYSA-N -1 1 297.307 2.662 20 5 CFBDMM C[C@H]1CC[C@H](OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000815218794 632231978 /nfs/dbraw/zinc/23/19/78/632231978.db2.gz FTLQUNCUCRXZIH-UFBFGSQYSA-N -1 1 265.265 2.646 20 5 CFBDMM CSc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC001211190117 770448541 /nfs/dbraw/zinc/44/85/41/770448541.db2.gz LXWXQLRRVGROFB-UHFFFAOYSA-N -1 1 296.283 2.695 20 5 CFBDMM CC[C@@H](C)CC[C@@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141077 776406504 /nfs/dbraw/zinc/40/65/04/776406504.db2.gz OYFYGNWPFFDIFC-RKDXNWHRSA-N -1 1 269.301 2.684 20 5 CFBDMM O=c1[n-]cnc(OC2CCCCCCC2)c1[N+](=O)[O-] ZINC001228139859 776407418 /nfs/dbraw/zinc/40/74/18/776407418.db2.gz BODHPMPBNVRAPJ-UHFFFAOYSA-N -1 1 267.285 2.582 20 5 CFBDMM C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001228141944 776407967 /nfs/dbraw/zinc/40/79/67/776407967.db2.gz XGRXUHZJLJHDAC-ZETCQYMHSA-N -1 1 295.682 2.884 20 5 CFBDMM CC[C@@H](C)C[C@H](CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144182 776408252 /nfs/dbraw/zinc/40/82/52/776408252.db2.gz SLMNWFXSKHFYFD-BDAKNGLRSA-N -1 1 269.301 2.684 20 5 CFBDMM CC[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228143284 776408475 /nfs/dbraw/zinc/40/84/75/776408475.db2.gz KFPJTKNZJZGAGI-SNVBAGLBSA-N -1 1 275.264 2.621 20 5 CFBDMM C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001228144447 776410151 /nfs/dbraw/zinc/41/01/51/776410151.db2.gz UQXXQZGHLLVGNO-ZETCQYMHSA-N -1 1 295.682 2.884 20 5 CFBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1nccs1 ZINC001229396472 776799649 /nfs/dbraw/zinc/79/96/49/776799649.db2.gz UTCKNBAKSDJUEW-ZETCQYMHSA-N -1 1 266.278 2.897 20 5 CFBDMM C[C@@H](Cc1ccco1)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395879 776799744 /nfs/dbraw/zinc/79/97/44/776799744.db2.gz MTUGLSWQHONYJW-VIFPVBQESA-N -1 1 263.249 2.903 20 5 CFBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC001229396346 776800082 /nfs/dbraw/zinc/80/00/82/776800082.db2.gz SFSWRBZNAXOETP-VIFPVBQESA-N -1 1 260.249 2.835 20 5 CFBDMM COC1=CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001229400257 776801533 /nfs/dbraw/zinc/80/15/33/776801533.db2.gz SWDNYUYLELVFFO-LLVKDONJSA-N -1 1 265.265 2.762 20 5 CFBDMM Cc1cc([O-])c(O[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC001229751624 776887852 /nfs/dbraw/zinc/88/78/52/776887852.db2.gz WWUOGEUHGPAUKW-ZCFIWIBFSA-N -1 1 265.187 2.938 20 5 CFBDMM Cc1conc1[N-]C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001128827287 780872266 /nfs/dbraw/zinc/87/22/66/780872266.db2.gz RJYARBLLMLHYOK-UHFFFAOYSA-N -1 1 279.227 2.591 20 5 CFBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1c([O-])cccc1F ZINC000610339700 351555206 /nfs/dbraw/zinc/55/52/06/351555206.db2.gz GSBSZVUWJIZWHQ-UHFFFAOYSA-N -1 1 290.250 2.621 20 5 CFBDMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444694 304105635 /nfs/dbraw/zinc/10/56/35/304105635.db2.gz WSHSVMRANRQRNZ-NSHDSACASA-N -1 1 298.726 2.687 20 5 CFBDMM O=C(Nc1ccc2cc[nH]c2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000447642751 241397531 /nfs/dbraw/zinc/39/75/31/241397531.db2.gz HHGNKIUJGCPWFA-UHFFFAOYSA-N -1 1 270.248 2.657 20 5 CFBDMM O=C(Nc1cc(F)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000174880600 379955081 /nfs/dbraw/zinc/95/50/81/379955081.db2.gz PNIMCKWLUBCJNU-UHFFFAOYSA-N -1 1 276.223 2.692 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc3ccc(F)cc3[nH]2)cc1[O-] ZINC000353878036 380923793 /nfs/dbraw/zinc/92/37/93/380923793.db2.gz BOYUOGFCTUVMMT-UHFFFAOYSA-N -1 1 273.223 2.983 20 5 CFBDMM CC[C@H](C(=O)[O-])N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191400750 382699797 /nfs/dbraw/zinc/69/97/97/382699797.db2.gz GMACOBMPAVDFDP-LLVKDONJSA-N -1 1 286.715 2.543 20 5 CFBDMM CC[C@]1(C)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339016521 383122368 /nfs/dbraw/zinc/12/23/68/383122368.db2.gz BRNBYVRAKSEZDD-CQSZACIVSA-N -1 1 264.325 2.922 20 5 CFBDMM CC1=C[C@@H](C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339157525 383170982 /nfs/dbraw/zinc/17/09/82/383170982.db2.gz ZVGGUEPZTZKKQT-SNVBAGLBSA-N -1 1 262.309 2.698 20 5 CFBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCC2CCCC2)cc1 ZINC000450986821 383577905 /nfs/dbraw/zinc/57/79/05/383577905.db2.gz RQCCHOWHSPGFEJ-UHFFFAOYSA-N -1 1 298.364 2.917 20 5 CFBDMM Cc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000356074304 130373799 /nfs/dbraw/zinc/37/37/99/130373799.db2.gz PRLCTULWNOYGEX-UHFFFAOYSA-N -1 1 270.248 2.948 20 5 CFBDMM Cc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000355545026 155036092 /nfs/dbraw/zinc/03/60/92/155036092.db2.gz 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KGMSRRUGKWTYLM-UHFFFAOYSA-N -1 1 280.309 2.755 20 5 CFBDMM Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1O ZINC000350955527 324288258 /nfs/dbraw/zinc/28/82/58/324288258.db2.gz ZJHQAZUURYENJQ-UHFFFAOYSA-N -1 1 286.247 2.654 20 5 CFBDMM CC(C)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302758476 519647977 /nfs/dbraw/zinc/64/79/77/519647977.db2.gz WDMWSWPFMANAHL-JTQLQIEISA-N -1 1 295.339 2.640 20 5 CFBDMM CCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000340702745 520462555 /nfs/dbraw/zinc/46/25/55/520462555.db2.gz DGVHPTUQNRYKHH-UHFFFAOYSA-N -1 1 289.291 2.964 20 5 CFBDMM Cc1ccccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000082188835 525334241 /nfs/dbraw/zinc/33/42/41/525334241.db2.gz MIHRFFHBBWVUOS-UHFFFAOYSA-N -1 1 292.316 2.704 20 5 CFBDMM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000316074751 527310847 /nfs/dbraw/zinc/31/08/47/527310847.db2.gz KHZSRCJGEKIDRJ-UHFFFAOYSA-N -1 1 297.274 2.565 20 5 CFBDMM O=C([O-])[C@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000263378752 604787657 /nfs/dbraw/zinc/78/76/57/604787657.db2.gz BDBBBBSPHPRQOZ-LLVKDONJSA-N -1 1 298.726 2.687 20 5 CFBDMM O=C([O-])C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000902010088 620957284 /nfs/dbraw/zinc/95/72/84/620957284.db2.gz OIHUFBAUMVUFLV-JTQLQIEISA-N -1 1 298.726 2.687 20 5 CFBDMM O=C(Nc1ncccc1[O-])c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154791811 624466229 /nfs/dbraw/zinc/46/62/29/624466229.db2.gz MBLCGZMKXDZZSD-UHFFFAOYSA-N -1 1 293.666 2.601 20 5 CFBDMM CC[C@@H](C)CO[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000813623351 631943121 /nfs/dbraw/zinc/94/31/21/631943121.db2.gz XTEAHUVXBZFQAN-MRVPVSSYSA-N -1 1 269.257 2.893 20 5 CFBDMM O=C(Cc1cccc(F)c1[N+](=O)[O-])[N-]OC1CCCCC1 ZINC000867548568 638884263 /nfs/dbraw/zinc/88/42/63/638884263.db2.gz UDPBCHWUEALRCN-UHFFFAOYSA-N -1 1 296.298 2.657 20 5 CFBDMM CCOc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC001210393061 770278628 /nfs/dbraw/zinc/27/86/28/770278628.db2.gz MNEAKMHPLLTKQH-UHFFFAOYSA-N -1 1 275.264 2.838 20 5 CFBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C1CCCC1 ZINC001225664276 775546672 /nfs/dbraw/zinc/54/66/72/775546672.db2.gz MCWNKNPIHYVFRD-MRVPVSSYSA-N -1 1 252.270 2.653 20 5 CFBDMM CCC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(C)C ZINC001225667110 775548657 /nfs/dbraw/zinc/54/86/57/775548657.db2.gz PNNWRMCRNBDSCP-SNVBAGLBSA-N -1 1 254.286 2.899 20 5 CFBDMM C[C@@H]1CC[C@H](C)[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225668149 775550197 /nfs/dbraw/zinc/55/01/97/775550197.db2.gz YXTMOLXQOVOYRJ-WCABBAIRSA-N -1 1 266.297 2.899 20 5 CFBDMM O=c1c2cc(OC3CC3)c([O-])cc2oc2cccc(O)c12 ZINC001227308237 776176373 /nfs/dbraw/zinc/17/63/73/776176373.db2.gz ATNGBYUYXLILAR-UHFFFAOYSA-N -1 1 284.267 2.899 20 5 CFBDMM CCC[C@@H](C)[C@@H](CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228139913 776407191 /nfs/dbraw/zinc/40/71/91/776407191.db2.gz CKYCPJXZJCVWFA-RKDXNWHRSA-N -1 1 269.301 2.684 20 5 CFBDMM Cc1ccc([C@H](C)Oc2nc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001228141656 776407312 /nfs/dbraw/zinc/40/73/12/776407312.db2.gz STJMGSFGBSNINU-VIFPVBQESA-N -1 1 275.264 2.539 20 5 CFBDMM CC[C@H](C)C[C@H](CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144185 776409401 /nfs/dbraw/zinc/40/94/01/776409401.db2.gz SLMNWFXSKHFYFD-IUCAKERBSA-N -1 1 269.301 2.684 20 5 CFBDMM CCCCC[C@@H](CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144826 776409481 /nfs/dbraw/zinc/40/94/81/776409481.db2.gz WTBUFOCCDKDLHJ-SECBINFHSA-N -1 1 269.301 2.828 20 5 CFBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC001229395929 776800177 /nfs/dbraw/zinc/80/01/77/776800177.db2.gz NJPLRUUMZAXOPG-SECBINFHSA-N -1 1 260.249 2.835 20 5 CFBDMM C[C@@H]1CCC[C@@H](C)C1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225668181 777158117 /nfs/dbraw/zinc/15/81/17/777158117.db2.gz ZPVRVTIBRRPHLY-RKDXNWHRSA-N -1 1 266.297 2.899 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCCC(=O)C2(C)C)n1 ZINC001231262867 777179710 /nfs/dbraw/zinc/17/97/10/777179710.db2.gz HNTWQNRZQRSQPQ-NSHDSACASA-N -1 1 294.307 2.530 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2cccnc2)n1 ZINC001231261101 777180328 /nfs/dbraw/zinc/18/03/28/777180328.db2.gz YBHXBZZBGHKFAT-VIFPVBQESA-N -1 1 275.264 2.539 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2ncccc2F)n1 ZINC001231264619 777181615 /nfs/dbraw/zinc/18/16/15/777181615.db2.gz SRKNVQJXCZGMRL-MRVPVSSYSA-N -1 1 293.254 2.678 20 5 CFBDMM CC(C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500982 777972796 /nfs/dbraw/zinc/97/27/96/777972796.db2.gz WNZJWLTWEAFOJL-UHFFFAOYSA-N -1 1 255.661 2.912 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2nccs2)n1 ZINC001231264417 781924920 /nfs/dbraw/zinc/92/49/20/781924920.db2.gz QQDILVCRKBCGHJ-SSDOTTSWSA-N -1 1 281.293 2.600 20 5 CFBDMM CCc1c(=O)n(-c2cccc([N+](=O)[O-])c2)[n-]c1C(C)C ZINC000601931118 350805172 /nfs/dbraw/zinc/80/51/72/350805172.db2.gz FXLJKKRZGSDIKQ-GFCCVEGCSA-N -1 1 275.308 2.980 20 5 CFBDMM Cc1c([N+](=O)[O-])cccc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000601938023 350809478 /nfs/dbraw/zinc/80/94/78/350809478.db2.gz FPMGSCYYIBXJGK-OQPBUACISA-N -1 1 273.292 2.652 20 5 CFBDMM Cn1ccc2c1cccc2NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000608882907 351481086 /nfs/dbraw/zinc/48/10/86/351481086.db2.gz XPHTUPYABBMIDF-UHFFFAOYSA-N -1 1 284.275 2.667 20 5 CFBDMM O=C(Cc1ccccc1[N+](=O)[O-])Nc1c([O-])cccc1F ZINC000609851151 351523274 /nfs/dbraw/zinc/52/32/74/351523274.db2.gz KBUCLCNKBABJLG-UHFFFAOYSA-N -1 1 290.250 2.621 20 5 CFBDMM Cc1ccc([O-])c(NC(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000447632680 241397336 /nfs/dbraw/zinc/39/73/36/241397336.db2.gz NKFCQDXVVQOJEX-UHFFFAOYSA-N -1 1 287.275 2.565 20 5 CFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCCc2ccccc21 ZINC000334349053 284665910 /nfs/dbraw/zinc/66/59/10/284665910.db2.gz ZRHSNSSGHRCPFY-UHFFFAOYSA-N -1 1 271.276 2.516 20 5 CFBDMM O=C(Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000334464520 379345797 /nfs/dbraw/zinc/34/57/97/379345797.db2.gz SPWLWRHWOHOQBC-UHFFFAOYSA-N -1 1 265.656 2.829 20 5 CFBDMM O=C(Nc1ccc2[nH]ccc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000353795347 380858181 /nfs/dbraw/zinc/85/81/81/380858181.db2.gz DDGNJXLCECBEGD-UHFFFAOYSA-N -1 1 270.248 2.657 20 5 CFBDMM COc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000347132199 380961904 /nfs/dbraw/zinc/96/19/04/380961904.db2.gz BRKHYXGMGNKHSK-UHFFFAOYSA-N -1 1 295.682 2.837 20 5 CFBDMM C[C@H](CCC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000347105518 380943489 /nfs/dbraw/zinc/94/34/89/380943489.db2.gz HPIFVORCAHMTNB-SECBINFHSA-N -1 1 295.339 2.640 20 5 CFBDMM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cn(C)nc2C2CC2)n1 ZINC000359953638 381696009 /nfs/dbraw/zinc/69/60/09/381696009.db2.gz DJQODVLXTJJKEP-UHFFFAOYSA-N -1 1 287.323 2.961 20 5 CFBDMM Cc1c(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000397021686 382632513 /nfs/dbraw/zinc/63/25/13/382632513.db2.gz RSPAUSCFKLVSKK-MFKMUULPSA-N -1 1 292.335 2.588 20 5 CFBDMM O=C(Nc1ccc2scnc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000337636517 382850619 /nfs/dbraw/zinc/85/06/19/382850619.db2.gz QDMMTNGCFNFQEH-UHFFFAOYSA-N -1 1 288.288 2.785 20 5 CFBDMM CC1=C[C@H](C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339157524 383170088 /nfs/dbraw/zinc/17/00/88/383170088.db2.gz ZVGGUEPZTZKKQT-JTQLQIEISA-N -1 1 262.309 2.698 20 5 CFBDMM CCO[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000449492697 383330452 /nfs/dbraw/zinc/33/04/52/383330452.db2.gz JWUPWPFBIIZSAB-ABAIWWIYSA-N -1 1 294.351 2.547 20 5 CFBDMM O=C([O-])CCCCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000574816925 384149662 /nfs/dbraw/zinc/14/96/62/384149662.db2.gz XJLDCEFTGJQICP-UHFFFAOYSA-N -1 1 292.335 2.598 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(F)cc3)no2)[n-]1 ZINC000349865760 163030170 /nfs/dbraw/zinc/03/01/70/163030170.db2.gz PTJKGLDYEOWBKY-UHFFFAOYSA-N -1 1 288.238 2.703 20 5 CFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC2(CC2)c2ccccc21 ZINC000265953827 275012662 /nfs/dbraw/zinc/01/26/62/275012662.db2.gz FFUNATGSIHEYOX-UHFFFAOYSA-N -1 1 283.287 2.615 20 5 CFBDMM Cc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000336323223 301314135 /nfs/dbraw/zinc/31/41/35/301314135.db2.gz ABXQPOUUAHOIQH-UHFFFAOYSA-N -1 1 263.228 2.623 20 5 CFBDMM O=C(Nc1ccc(F)cc1[O-])c1csc([N+](=O)[O-])c1 ZINC000340331358 527213687 /nfs/dbraw/zinc/21/36/87/527213687.db2.gz VOBNPRBTASQFIO-UHFFFAOYSA-N -1 1 282.252 2.753 20 5 CFBDMM O=C([O-])CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000093633494 619281910 /nfs/dbraw/zinc/28/19/10/619281910.db2.gz AHTWNGJBSGFFFP-UHFFFAOYSA-N -1 1 298.726 2.687 20 5 CFBDMM O=C(NC1CCCCCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016494328 619292260 /nfs/dbraw/zinc/29/22/60/619292260.db2.gz MTFHZUXSCCBKFY-UHFFFAOYSA-N -1 1 293.323 2.538 20 5 CFBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cncs1 ZINC000897590502 620253279 /nfs/dbraw/zinc/25/32/79/620253279.db2.gz MLWACUAWWBIYRJ-UHFFFAOYSA-N -1 1 285.231 2.582 20 5 CFBDMM Cc1noc(C)c1[N-]C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763425975 626988590 /nfs/dbraw/zinc/98/85/90/626988590.db2.gz NSWVTVNYVDHYEY-UHFFFAOYSA-N -1 1 297.217 2.730 20 5 CFBDMM Cc1cc2[n-]c(CCC(C)(C)[N+](=O)[O-])nc(=O)c2s1 ZINC000849184860 633581415 /nfs/dbraw/zinc/58/14/15/633581415.db2.gz YPKVONAJNDFDKZ-UHFFFAOYSA-N -1 1 281.337 2.693 20 5 CFBDMM Cc1cc(Cl)ncc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000305256379 651056297 /nfs/dbraw/zinc/05/62/97/651056297.db2.gz MTIVLNNOYVZMDC-UHFFFAOYSA-N -1 1 280.671 2.532 20 5 CFBDMM CSc1nc(Nc2ccc(C)c([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC001213661596 773209274 /nfs/dbraw/zinc/20/92/74/773209274.db2.gz PHRPXBQLHZAZIZ-UHFFFAOYSA-N -1 1 292.320 2.864 20 5 CFBDMM C[C@@H]1CC[C@@H](C)[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225668148 775550434 /nfs/dbraw/zinc/55/04/34/775550434.db2.gz YXTMOLXQOVOYRJ-KKZNHRDASA-N -1 1 266.297 2.899 20 5 CFBDMM O=c1[n-]cnc(O[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC001228140918 776407079 /nfs/dbraw/zinc/40/70/79/776407079.db2.gz NSXJGSCUGGJLQT-LLVKDONJSA-N -1 1 287.275 2.547 20 5 CFBDMM C[C@@H]1C[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC001228141801 776407373 /nfs/dbraw/zinc/40/73/73/776407373.db2.gz VFVNEJBNXLTREX-BDAKNGLRSA-N -1 1 281.312 2.684 20 5 CFBDMM COC1CCC(Oc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001229396856 776800141 /nfs/dbraw/zinc/80/01/41/776800141.db2.gz ZUJFMGZOFGYZDJ-UHFFFAOYSA-N -1 1 267.281 2.637 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCCC[C@H]2F)c1 ZINC001229396033 776800194 /nfs/dbraw/zinc/80/01/94/776800194.db2.gz PHMDSNYLKRXGES-KOLCDFICSA-N -1 1 255.245 2.960 20 5 CFBDMM CCC(=O)[C@@H](CC)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229753025 776888135 /nfs/dbraw/zinc/88/81/35/776888135.db2.gz FVPITQLBOTXQHQ-GFCCVEGCSA-N -1 1 267.281 2.745 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCCC[C@H]2C)n1 ZINC001231258651 777178776 /nfs/dbraw/zinc/17/87/76/777178776.db2.gz BNVGPYOQVIFELU-KCJUWKMLSA-N -1 1 266.297 2.961 20 5 CFBDMM CCC[C@@H](CC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259439 777178903 /nfs/dbraw/zinc/17/89/03/777178903.db2.gz LNTMEHVYLHAEQB-SECBINFHSA-N -1 1 254.286 2.961 20 5 CFBDMM CC[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C(C)C ZINC001231261289 777180469 /nfs/dbraw/zinc/18/04/69/777180469.db2.gz AHMDONJGQINTTB-JTQLQIEISA-N -1 1 254.286 2.817 20 5 CFBDMM Cc1cc([O-])c(O[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC001229754803 780465805 /nfs/dbraw/zinc/46/58/05/780465805.db2.gz RFOIQJJCVNJGBK-ZJUUUORDSA-N -1 1 267.281 2.555 20 5 CFBDMM Cc1cc([O-])c(O[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001229754802 780466311 /nfs/dbraw/zinc/46/63/11/780466311.db2.gz RFOIQJJCVNJGBK-VHSXEESVSA-N -1 1 267.281 2.555 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)[n-]1 ZINC000594538506 349443533 /nfs/dbraw/zinc/44/35/33/349443533.db2.gz YOGYGSCYXUKAFI-DJLDLDEBSA-N -1 1 274.280 2.877 20 5 CFBDMM Cc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000334420186 379266454 /nfs/dbraw/zinc/26/64/54/379266454.db2.gz STIWTENQTUAXMD-UHFFFAOYSA-N -1 1 259.265 2.792 20 5 CFBDMM CCc1noc(C)c1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000179332296 380532032 /nfs/dbraw/zinc/53/20/32/380532032.db2.gz STGQMKOAOQMRKP-UHFFFAOYSA-N -1 1 281.293 2.767 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC2(CC2)C1 ZINC000339097993 383147855 /nfs/dbraw/zinc/14/78/55/383147855.db2.gz SCAKDEJAEYKYHB-UHFFFAOYSA-N -1 1 262.309 2.676 20 5 CFBDMM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459740422 383296166 /nfs/dbraw/zinc/29/61/66/383296166.db2.gz UGIJOPQKZSEDST-UHFFFAOYSA-N -1 1 264.325 2.921 20 5 CFBDMM Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000572100585 383754791 /nfs/dbraw/zinc/75/47/91/383754791.db2.gz MGBVMAHDYMGQPQ-LBPRGKRZSA-N -1 1 292.335 2.590 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cccs3)no2)[n-]1 ZINC000356109221 155163737 /nfs/dbraw/zinc/16/37/37/155163737.db2.gz BIBSMLXRJAKJJA-UHFFFAOYSA-N -1 1 276.277 2.625 20 5 CFBDMM CN(C)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000349882901 163032275 /nfs/dbraw/zinc/03/22/75/163032275.db2.gz YEJWVOUNKMLOAM-UHFFFAOYSA-N -1 1 299.290 2.706 20 5 CFBDMM C[C@H]1CCSCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000332246304 300027994 /nfs/dbraw/zinc/02/79/94/300027994.db2.gz BKCALZNKDUOJKO-JTQLQIEISA-N -1 1 282.365 2.628 20 5 CFBDMM O=C(Nc1c([O-])cccc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000572994842 322640434 /nfs/dbraw/zinc/64/04/34/322640434.db2.gz BQKYOKFFDRVPLA-UHFFFAOYSA-N -1 1 293.666 2.601 20 5 CFBDMM CC(C)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302758477 519645221 /nfs/dbraw/zinc/64/52/21/519645221.db2.gz WDMWSWPFMANAHL-SNVBAGLBSA-N -1 1 295.339 2.640 20 5 CFBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C(=O)[O-] ZINC000737452047 574142274 /nfs/dbraw/zinc/14/22/74/574142274.db2.gz WPDKVPQNWUJFEF-UHFFFAOYSA-N -1 1 286.715 2.543 20 5 CFBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccco1 ZINC000066960691 619093539 /nfs/dbraw/zinc/09/35/39/619093539.db2.gz SVYSKAJZAIRRAX-UHFFFAOYSA-N -1 1 268.175 2.718 20 5 CFBDMM C[C@H](C(=O)[N-]OC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000762229585 626905404 /nfs/dbraw/zinc/90/54/04/626905404.db2.gz BIBFJSHXWFLKKF-JTQLQIEISA-N -1 1 278.308 2.689 20 5 CFBDMM Cc1cccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000769046777 627399273 /nfs/dbraw/zinc/39/92/73/627399273.db2.gz LZUJKVUQPXTGCD-UHFFFAOYSA-N -1 1 287.271 2.966 20 5 CFBDMM O=C(OCc1csc([N+](=O)[O-])c1)c1ccc([O-])cc1F ZINC000773586877 627838927 /nfs/dbraw/zinc/83/89/27/627838927.db2.gz XLKKIKWKMPCUNQ-UHFFFAOYSA-N -1 1 297.263 2.858 20 5 CFBDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000848599656 633297805 /nfs/dbraw/zinc/29/78/05/633297805.db2.gz NYGZIEHDJZHKNS-UHFFFAOYSA-N -1 1 298.726 2.687 20 5 CFBDMM C[C@@H](C(=O)[N-]OCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000856350718 635793539 /nfs/dbraw/zinc/79/35/39/635793539.db2.gz PBFFLTSQMDMFOD-SNVBAGLBSA-N -1 1 278.308 2.546 20 5 CFBDMM O=[N+]([O-])c1c([N-]c2cnn3c2CCCC3)nc2ccccn21 ZINC000866066348 638720478 /nfs/dbraw/zinc/72/04/78/638720478.db2.gz IFUROIWBDASVMP-UHFFFAOYSA-N -1 1 298.306 2.519 20 5 CFBDMM O=c1cc[n-]c(O[C@@H]2CCOc3ccccc32)c1[N+](=O)[O-] ZINC001225666709 775549026 /nfs/dbraw/zinc/54/90/26/775549026.db2.gz LEYWRILYZQAQQV-GFCCVEGCSA-N -1 1 288.259 2.598 20 5 CFBDMM O=c1cc[n-]c(OC2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC001225667671 775549272 /nfs/dbraw/zinc/54/92/72/775549272.db2.gz WDDXBWCRQBLHRD-UHFFFAOYSA-N -1 1 274.223 2.652 20 5 CFBDMM CCC[C@H](C)[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228140943 776406688 /nfs/dbraw/zinc/40/66/88/776406688.db2.gz OHXKYAHBWCMVKB-GXSJLCMTSA-N -1 1 283.328 2.930 20 5 CFBDMM O=c1[n-]cnc(O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001228141854 776408522 /nfs/dbraw/zinc/40/85/22/776408522.db2.gz VXQUKNVOZLSPPP-GMTAPVOTSA-N -1 1 293.323 2.828 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCCC[C@@H]2F)c1 ZINC001229396036 776799919 /nfs/dbraw/zinc/79/99/19/776799919.db2.gz PHMDSNYLKRXGES-ONGXEEELSA-N -1 1 255.245 2.960 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCc3cccnc32)c1 ZINC001229395499 776800282 /nfs/dbraw/zinc/80/02/82/776800282.db2.gz ISYYYQUJFKEFRY-LBPRGKRZSA-N -1 1 272.260 2.762 20 5 CFBDMM Cc1cc([O-])c(O[C@@H]2COc3cnccc32)cc1[N+](=O)[O-] ZINC001229754108 776889261 /nfs/dbraw/zinc/88/92/61/776889261.db2.gz MHPBTJDZQVYHNU-CQSZACIVSA-N -1 1 288.259 2.516 20 5 CFBDMM C[C@@H]1CC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001225666031 777154874 /nfs/dbraw/zinc/15/48/74/777154874.db2.gz FROJJBMAYMFZJG-IUCAKERBSA-N -1 1 266.297 2.899 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCCC[C@H]2C)n1 ZINC001231258653 777178891 /nfs/dbraw/zinc/17/88/91/777178891.db2.gz BNVGPYOQVIFELU-LDYMZIIASA-N -1 1 266.297 2.961 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC[C@H]2C3)n1 ZINC001231263335 777179734 /nfs/dbraw/zinc/17/97/34/777179734.db2.gz IZWCRFSCQQREQB-WCABBAIRSA-N -1 1 264.281 2.571 20 5 CFBDMM CC(C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234880337 778320060 /nfs/dbraw/zinc/32/00/60/778320060.db2.gz BOXUWSFSIGXRKY-UHFFFAOYSA-N -1 1 276.086 2.850 20 5 CFBDMM CCCn1cc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000078472869 347255564 /nfs/dbraw/zinc/25/55/64/347255564.db2.gz VRZQNRGTFBJTCA-UHFFFAOYSA-N -1 1 291.267 2.853 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3coc(C4CC4)n3)no2)[n-]1 ZINC000599189319 350392981 /nfs/dbraw/zinc/39/29/81/350392981.db2.gz OUXVCHBGVNOFHJ-UHFFFAOYSA-N -1 1 287.235 2.505 20 5 CFBDMM CCC[C@@H](C)S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000567998761 290513967 /nfs/dbraw/zinc/51/39/67/290513967.db2.gz ZQECOCDIBJCHGC-MRVPVSSYSA-N -1 1 290.316 2.664 20 5 CFBDMM C[C@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330560332 378583339 /nfs/dbraw/zinc/58/33/39/378583339.db2.gz BJUFLZGKYIDZGJ-JTQLQIEISA-N -1 1 250.298 2.675 20 5 CFBDMM O=C(Nc1scnc1C1CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343011389 381649301 /nfs/dbraw/zinc/64/93/01/381649301.db2.gz JVRJZRFLIRZQBE-UHFFFAOYSA-N -1 1 278.293 2.509 20 5 CFBDMM CCCC[C@H](CC)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186866516 382032792 /nfs/dbraw/zinc/03/27/92/382032792.db2.gz FNITUVMYKSBYIO-JTQLQIEISA-N -1 1 295.339 2.642 20 5 CFBDMM CC(C)c1cccnc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000337575640 382844027 /nfs/dbraw/zinc/84/40/27/382844027.db2.gz VWPPUCBHGTWILL-UHFFFAOYSA-N -1 1 274.280 2.694 20 5 CFBDMM CC(C)[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCCO1 ZINC000339810468 383326073 /nfs/dbraw/zinc/32/60/73/383326073.db2.gz CLTHOGBQUJRMJN-HNNXBMFYSA-N -1 1 294.351 2.547 20 5 CFBDMM O=C([O-])c1ccnc(/C=C\c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000340590034 383480686 /nfs/dbraw/zinc/48/06/86/383480686.db2.gz JDNAWOGZFUVVMR-UPHRSURJSA-N -1 1 286.243 2.564 20 5 CFBDMM Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2o1 ZINC000340594632 383481769 /nfs/dbraw/zinc/48/17/69/383481769.db2.gz NZDZBCSSHNNPTN-UHFFFAOYSA-N -1 1 286.247 2.625 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(C3Cc4ccccc4C3)no2)[n-]1 ZINC000547088462 394851576 /nfs/dbraw/zinc/85/15/76/394851576.db2.gz QDPOINRTPCMCEW-UHFFFAOYSA-N -1 1 296.286 2.855 20 5 CFBDMM CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000343825996 161872783 /nfs/dbraw/zinc/87/27/83/161872783.db2.gz IZIGNLUIHVAYQM-UHFFFAOYSA-N -1 1 275.264 2.574 20 5 CFBDMM CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000045143668 175316352 /nfs/dbraw/zinc/31/63/52/175316352.db2.gz KUTAPRBSKYKVLI-UHFFFAOYSA-N -1 1 298.349 2.631 20 5 CFBDMM Cc1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000298837431 281052326 /nfs/dbraw/zinc/05/23/26/281052326.db2.gz DUPSOBYEKJTPCC-UHFFFAOYSA-N -1 1 285.303 2.824 20 5 CFBDMM Cc1c(NC(=O)c2ccc(O)cc2[O-])cccc1[N+](=O)[O-] ZINC000192713179 533918588 /nfs/dbraw/zinc/91/85/88/533918588.db2.gz CEODRXPDZUKFGP-UHFFFAOYSA-N -1 1 288.259 2.567 20 5 CFBDMM CCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1 ZINC000340717817 520090068 /nfs/dbraw/zinc/09/00/68/520090068.db2.gz SENVWWRIIGZCQT-UHFFFAOYSA-N -1 1 259.265 2.590 20 5 CFBDMM CCC(C)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000733315009 574221085 /nfs/dbraw/zinc/22/10/85/574221085.db2.gz JWKSBDFMWBDBPU-UHFFFAOYSA-N -1 1 292.382 2.513 20 5 CFBDMM O=C([O-])[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633473 601114255 /nfs/dbraw/zinc/11/42/55/601114255.db2.gz GFGLIYNNEZVLNE-VIFPVBQESA-N -1 1 298.726 2.545 20 5 CFBDMM O=C([O-])CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000049964246 618054274 /nfs/dbraw/zinc/05/42/74/618054274.db2.gz LJTFDHMFLQXENA-UHFFFAOYSA-N -1 1 298.726 2.687 20 5 CFBDMM O=C([N-]c1ncsc1C1CC1)c1ccc([N+](=O)[O-])o1 ZINC000893279859 618928585 /nfs/dbraw/zinc/92/85/85/618928585.db2.gz LWHXLHITUXACPC-UHFFFAOYSA-N -1 1 279.277 2.774 20 5 CFBDMM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c(CC2CC2)cc1=O ZINC000899350155 620550199 /nfs/dbraw/zinc/55/01/99/620550199.db2.gz VSSTVSQXOSWFDX-UHFFFAOYSA-N -1 1 273.292 2.796 20 5 CFBDMM CCC[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075308 628430559 /nfs/dbraw/zinc/43/05/59/628430559.db2.gz JVVLBDCTSQBJAL-MRVPVSSYSA-N -1 1 253.254 2.646 20 5 CFBDMM C[C@@H](C(=O)[N-]OCCC1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000817425766 632630761 /nfs/dbraw/zinc/63/07/61/632630761.db2.gz MSFXBSWASBYJMC-SECBINFHSA-N -1 1 296.298 2.685 20 5 CFBDMM Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C1CC1 ZINC001155408672 782284878 /nfs/dbraw/zinc/28/48/78/782284878.db2.gz IRNNOTBNDPZKBJ-UHFFFAOYSA-N -1 1 286.291 2.756 20 5 CFBDMM CC(C)[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001225659945 775545098 /nfs/dbraw/zinc/54/50/98/775545098.db2.gz ANVZPUXTELWFFT-QMMMGPOBSA-N -1 1 280.202 2.661 20 5 CFBDMM CC(C)[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001225659945 775545102 /nfs/dbraw/zinc/54/51/02/775545102.db2.gz ANVZPUXTELWFFT-QMMMGPOBSA-N -1 1 280.202 2.661 20 5 CFBDMM CC(C)[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001225659944 775545568 /nfs/dbraw/zinc/54/55/68/775545568.db2.gz ANVZPUXTELWFFT-MRVPVSSYSA-N -1 1 280.202 2.661 20 5 CFBDMM CC(C)[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001225659944 775545573 /nfs/dbraw/zinc/54/55/73/775545573.db2.gz ANVZPUXTELWFFT-MRVPVSSYSA-N -1 1 280.202 2.661 20 5 CFBDMM C[C@H]1C[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC001228141802 776407105 /nfs/dbraw/zinc/40/71/05/776407105.db2.gz VFVNEJBNXLTREX-IUCAKERBSA-N -1 1 281.312 2.684 20 5 CFBDMM Cc1ccccc1[C@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228143129 776408538 /nfs/dbraw/zinc/40/85/38/776408538.db2.gz JQYOVOFMXLBSPF-VIFPVBQESA-N -1 1 275.264 2.539 20 5 CFBDMM Cc1cn2c(n1)[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])CCC2 ZINC001229395396 776798275 /nfs/dbraw/zinc/79/82/75/776798275.db2.gz HYUZBUBXZQDYSJ-GFCCVEGCSA-N -1 1 289.291 2.719 20 5 CFBDMM COc1ccc([C@H](C)Oc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC001229396204 776799624 /nfs/dbraw/zinc/79/96/24/776799624.db2.gz RGCLJTNSFUNKJX-VIFPVBQESA-N -1 1 290.275 2.844 20 5 CFBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC001229396949 776800213 /nfs/dbraw/zinc/80/02/13/776800213.db2.gz CBWZBGALXNWQER-YFKPBYRVSA-N -1 1 251.160 2.630 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCC(F)(F)C2)c1 ZINC001229399915 776800731 /nfs/dbraw/zinc/80/07/31/776800731.db2.gz PGCHABHNYSWOOJ-MRVPVSSYSA-N -1 1 259.208 2.867 20 5 CFBDMM COC(C)(C)C[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229399642 776801632 /nfs/dbraw/zinc/80/16/32/776801632.db2.gz MRKSKZFCHMXHNE-VIFPVBQESA-N -1 1 269.297 2.883 20 5 CFBDMM Cc1cc([O-])c(O[C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC001229750253 776887671 /nfs/dbraw/zinc/88/76/71/776887671.db2.gz LQUJZPWFHGCNKP-JTQLQIEISA-N -1 1 281.308 2.803 20 5 CFBDMM Cc1cc([O-])c(O[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001229754098 776888602 /nfs/dbraw/zinc/88/86/02/776888602.db2.gz MECIOVBWJIULII-SECBINFHSA-N -1 1 297.307 2.718 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2ncccc2F)n1 ZINC001231264621 777181404 /nfs/dbraw/zinc/18/14/04/777181404.db2.gz SRKNVQJXCZGMRL-QMMMGPOBSA-N -1 1 293.254 2.678 20 5 CFBDMM C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000596051105 349781964 /nfs/dbraw/zinc/78/19/64/349781964.db2.gz LKVFYCQZJKIMFW-LBPRGKRZSA-N -1 1 292.335 2.771 20 5 CFBDMM Cc1[n-]n(-c2cc([N+](=O)[O-])ccc2C)c(=O)c1C1CC1 ZINC000601936102 350808723 /nfs/dbraw/zinc/80/87/23/350808723.db2.gz PJXIXSSHQFSTCV-CYBMUJFWSA-N -1 1 273.292 2.652 20 5 CFBDMM CCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2Cl)c1=O ZINC000601938835 350810533 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383166790 /nfs/dbraw/zinc/16/67/90/383166790.db2.gz OOCMVDGOZDIFOT-SECBINFHSA-N -1 1 289.291 2.883 20 5 CFBDMM Nc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1[N+](=O)[O-] ZINC000437005857 394042885 /nfs/dbraw/zinc/04/28/85/394042885.db2.gz ZEIWEEJIGHVUKR-UHFFFAOYSA-N -1 1 298.258 2.600 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cccc(F)c3)no2)[n-]1 ZINC000350459607 163083644 /nfs/dbraw/zinc/08/36/44/163083644.db2.gz XODPNIRHZZTLRL-UHFFFAOYSA-N -1 1 288.238 2.703 20 5 CFBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cccc1N(C)C ZINC000343326861 280247623 /nfs/dbraw/zinc/24/76/23/280247623.db2.gz RRDVDBFZOVLEOQ-UHFFFAOYSA-N -1 1 288.307 2.550 20 5 CFBDMM CCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)co1 ZINC000753639926 574407391 /nfs/dbraw/zinc/40/73/91/574407391.db2.gz KBMQKQARXVQPQL-UHFFFAOYSA-N -1 1 297.217 2.676 20 5 CFBDMM O=C([O-])C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000902010089 620956976 /nfs/dbraw/zinc/95/69/76/620956976.db2.gz OIHUFBAUMVUFLV-SNVBAGLBSA-N -1 1 298.726 2.687 20 5 CFBDMM 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O=C([O-])[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049964234 373337074 /nfs/dbraw/zinc/33/70/74/373337074.db2.gz OTGZSHCKTQPWQI-JTQLQIEISA-N -1 1 298.726 2.545 20 5 CFBDMM CCc1onc(C)c1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000089394629 374898715 /nfs/dbraw/zinc/89/87/15/374898715.db2.gz AGTSHTBBNVDAQU-UHFFFAOYSA-N -1 1 281.293 2.767 20 5 CFBDMM C[C@@H]1CCSCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000332246309 378739832 /nfs/dbraw/zinc/73/98/32/378739832.db2.gz BKCALZNKDUOJKO-SNVBAGLBSA-N -1 1 282.365 2.628 20 5 CFBDMM CCCC[C@@H](CCC)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193673023 382722405 /nfs/dbraw/zinc/72/24/05/382722405.db2.gz NDWZADCCIMVYRS-LLVKDONJSA-N -1 1 295.339 2.784 20 5 CFBDMM O=C(Nc1ccc2c(c1)CCCO2)c1ccc([N+](=O)[O-])[n-]1 ZINC000337643450 382851655 /nfs/dbraw/zinc/85/16/55/382851655.db2.gz WEPYQYUHHMCXOE-UHFFFAOYSA-N -1 1 287.275 2.500 20 5 CFBDMM CC[C@@]1(C)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339016519 383122065 /nfs/dbraw/zinc/12/20/65/383122065.db2.gz BRNBYVRAKSEZDD-AWEZNQCLSA-N -1 1 264.325 2.922 20 5 CFBDMM O=C([N-]c1nnc(C2CC2)s1)c1csc([N+](=O)[O-])c1 ZINC000567877456 383326028 /nfs/dbraw/zinc/32/60/28/383326028.db2.gz CIHAGHZJKNDFIB-UHFFFAOYSA-N -1 1 296.333 2.638 20 5 CFBDMM CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340556788 383470631 /nfs/dbraw/zinc/47/06/31/383470631.db2.gz MJHDHVDILYGAMP-UHFFFAOYSA-N -1 1 275.264 2.574 20 5 CFBDMM CCc1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000428542212 383489364 /nfs/dbraw/zinc/48/93/64/383489364.db2.gz UQCOREDRXWMJOT-UHFFFAOYSA-N -1 1 280.309 2.503 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])cc1CSc1nc(C2CC2)n[nH]1 ZINC000436472738 383820984 /nfs/dbraw/zinc/82/09/84/383820984.db2.gz ADYIEEYJEAKUSN-UHFFFAOYSA-N -1 1 292.320 2.588 20 5 CFBDMM O=C(Nc1ccc2ncccc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343197691 154140393 /nfs/dbraw/zinc/14/03/93/154140393.db2.gz NPRREMSXAISNTH-UHFFFAOYSA-N -1 1 282.259 2.723 20 5 CFBDMM O=C([O-])C[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000038027847 174014788 /nfs/dbraw/zinc/01/47/88/174014788.db2.gz VDURUWZGRCJYRP-LBPRGKRZSA-N -1 1 296.298 2.563 20 5 CFBDMM CN(CCCC(=O)[O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444748 522724152 /nfs/dbraw/zinc/72/41/52/522724152.db2.gz JFZHLRGIBZSPHK-UHFFFAOYSA-N -1 1 286.715 2.545 20 5 CFBDMM O=C(Nc1cccc(-n2cccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000339180696 527318775 /nfs/dbraw/zinc/31/87/75/527318775.db2.gz FBKLLRDUMJKEOV-UHFFFAOYSA-N -1 1 296.286 2.966 20 5 CFBDMM C[C@@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000828028897 601931878 /nfs/dbraw/zinc/93/18/78/601931878.db2.gz HHFCGVDEYKKHNL-CYBMUJFWSA-N -1 1 298.726 2.545 20 5 CFBDMM CC(C)CCOCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780077163 628430859 /nfs/dbraw/zinc/43/08/59/628430859.db2.gz UZVPWFASMSCGIQ-UHFFFAOYSA-N -1 1 297.307 2.520 20 5 CFBDMM CC(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)o1 ZINC000781966621 628593988 /nfs/dbraw/zinc/59/39/88/628593988.db2.gz OSDMIHDVZQOXFR-UHFFFAOYSA-N -1 1 292.222 2.782 20 5 CFBDMM CO[C@H](COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC(C)C ZINC000842085228 631531707 /nfs/dbraw/zinc/53/17/07/631531707.db2.gz FYWGZZYJDFNYRS-ZDUSSCGKSA-N -1 1 297.307 2.518 20 5 CFBDMM C[C@H]1CC[C@@H](OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000815218793 632231901 /nfs/dbraw/zinc/23/19/01/632231901.db2.gz FTLQUNCUCRXZIH-QPUJVOFHSA-N -1 1 265.265 2.646 20 5 CFBDMM Cc1ccc([N+](=O)[O-])c(C)c1C=C1SC(=O)[N-]C1=O ZINC000874929446 642555352 /nfs/dbraw/zinc/55/53/52/642555352.db2.gz CZRQQEVPZJVRJO-YHYXMXQVSA-N -1 1 278.289 2.536 20 5 CFBDMM Cc1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000135802456 646637081 /nfs/dbraw/zinc/63/70/81/646637081.db2.gz CTSDRRLLOGTWNG-UHFFFAOYSA-N -1 1 298.711 2.660 20 5 CFBDMM Cc1nsc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000135826459 646643304 /nfs/dbraw/zinc/64/33/04/646643304.db2.gz MILODIQNDPKZFE-UHFFFAOYSA-N -1 1 298.711 2.660 20 5 CFBDMM Cc1cnc(F)c([C@@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])c1 ZINC001225664130 775547800 /nfs/dbraw/zinc/54/78/00/775547800.db2.gz KBPQFTQYSZYUML-MRVPVSSYSA-N -1 1 293.254 2.678 20 5 CFBDMM C[C@H]1CCC[C@H](C)C1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225668180 775550593 /nfs/dbraw/zinc/55/05/93/775550593.db2.gz ZPVRVTIBRRPHLY-IUCAKERBSA-N -1 1 266.297 2.899 20 5 CFBDMM CCC(CC)[C@@H](CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141831 776406962 /nfs/dbraw/zinc/40/69/62/776406962.db2.gz VJRMDTNXEVUXMU-SECBINFHSA-N -1 1 269.301 2.684 20 5 CFBDMM CCC[C@H]1CCCC[C@@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228139337 776406977 /nfs/dbraw/zinc/40/69/77/776406977.db2.gz AJTKKYPXQRBYIY-UWVGGRQHSA-N -1 1 281.312 2.828 20 5 CFBDMM CCC[C@@H](C)[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228140944 776407041 /nfs/dbraw/zinc/40/70/41/776407041.db2.gz OHXKYAHBWCMVKB-KOLCDFICSA-N -1 1 283.328 2.930 20 5 CFBDMM CCCC[C@@H](CCC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228142126 776408500 /nfs/dbraw/zinc/40/85/00/776408500.db2.gz YMMFGADYLAQNPJ-SECBINFHSA-N -1 1 269.301 2.828 20 5 CFBDMM CCCC[C@H](CCC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228142127 776408580 /nfs/dbraw/zinc/40/85/80/776408580.db2.gz YMMFGADYLAQNPJ-VIFPVBQESA-N -1 1 269.301 2.828 20 5 CFBDMM Cc1nc(O[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376649 776794918 /nfs/dbraw/zinc/79/49/18/776794918.db2.gz WICRFLALNWRRFJ-SSDOTTSWSA-N -1 1 293.254 2.678 20 5 CFBDMM CCC(=O)[C@H](CC)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229753028 776887742 /nfs/dbraw/zinc/88/77/42/776887742.db2.gz FVPITQLBOTXQHQ-LBPRGKRZSA-N -1 1 267.281 2.745 20 5 CFBDMM O=c1oc2cc([O-])ccc2c2cc(OC3CC3)c(O)cc12 ZINC001229801475 776895451 /nfs/dbraw/zinc/89/54/51/776895451.db2.gz FUTSRBXHEOXSME-UHFFFAOYSA-N -1 1 284.267 2.899 20 5 CFBDMM C[C@H]1CC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])C[C@H](C)C1 ZINC001225666037 777155049 /nfs/dbraw/zinc/15/50/49/777155049.db2.gz FROJJBMAYMFZJG-RKDXNWHRSA-N -1 1 266.297 2.899 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CC[C@H](C)C2)n1 ZINC001231259806 777178399 /nfs/dbraw/zinc/17/83/99/777178399.db2.gz PVPQQCGFGRHKTK-CBAPKCEASA-N -1 1 252.270 2.571 20 5 CFBDMM COC(C)(C)C[C@@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231264269 777180913 /nfs/dbraw/zinc/18/09/13/777180913.db2.gz PVGYWCOHPALMGU-SECBINFHSA-N -1 1 284.312 2.586 20 5 CFBDMM O=[N+]([O-])c1cc2nc(OC3CCOCC3)[n-]c2cc1Cl ZINC001233500277 777970706 /nfs/dbraw/zinc/97/07/06/777970706.db2.gz QUXCCAJSPGBIHV-UHFFFAOYSA-N -1 1 297.698 2.682 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCCC[C@@H]2F)n1 ZINC001231265154 781926294 /nfs/dbraw/zinc/92/62/94/781926294.db2.gz ZCMOAJAOSHPHQF-WPRPVWTQSA-N -1 1 270.260 2.663 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCCC[C@H]2F)n1 ZINC001231265152 781926266 /nfs/dbraw/zinc/92/62/66/781926266.db2.gz ZCMOAJAOSHPHQF-SCZZXKLOSA-N -1 1 270.260 2.663 20 5 CFBDMM C[C@@H]1CCc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000596677801 349973075 /nfs/dbraw/zinc/97/30/75/349973075.db2.gz FXKHEDASVSLZOI-SNVBAGLBSA-N -1 1 285.303 2.904 20 5 CFBDMM CCCc1csc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000271031094 190915240 /nfs/dbraw/zinc/91/52/40/190915240.db2.gz OZCKXIFTAIBAPW-UHFFFAOYSA-N -1 1 280.309 2.584 20 5 CFBDMM CC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593733569 349316242 /nfs/dbraw/zinc/31/62/42/349316242.db2.gz YBXUZNJWZCOVCV-UHFFFAOYSA-N -1 1 278.308 2.525 20 5 CFBDMM C[C@H]1CCc2[n-]n(-c3ccc([N+](=O)[O-])cc3Cl)c(=O)c21 ZINC000601941513 350811242 /nfs/dbraw/zinc/81/12/42/350811242.db2.gz YMIAWWXDVQEZEI-MADCSZMMSA-N -1 1 293.710 2.997 20 5 CFBDMM C[C@H]1CCc2[n-]n(-c3ccc([N+](=O)[O-])cc3Cl)c(=O)c21 ZINC000601941511 350811476 /nfs/dbraw/zinc/81/14/76/350811476.db2.gz YMIAWWXDVQEZEI-JVXZTZIISA-N -1 1 293.710 2.997 20 5 CFBDMM O=C(Nc1c([O-])cccc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000610339806 351554890 /nfs/dbraw/zinc/55/48/90/351554890.db2.gz RDOUXXQULCYLHP-UHFFFAOYSA-N -1 1 294.213 2.831 20 5 CFBDMM Cc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000335905344 380083476 /nfs/dbraw/zinc/08/34/76/380083476.db2.gz IAQGTTZXBVMYEB-UHFFFAOYSA-N -1 1 263.228 2.623 20 5 CFBDMM COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C ZINC000347444699 381156466 /nfs/dbraw/zinc/15/64/66/381156466.db2.gz NPFCSWAUTZLYPX-UHFFFAOYSA-N -1 1 289.291 2.801 20 5 CFBDMM O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000348565363 381639955 /nfs/dbraw/zinc/63/99/55/381639955.db2.gz WLIBUAIXSPXJMM-UHFFFAOYSA-N -1 1 297.274 2.565 20 5 CFBDMM Cn1nc([N-]c2ncc([N+](=O)[O-])cc2Cl)cc1C1CC1 ZINC000291153769 381687827 /nfs/dbraw/zinc/68/78/27/381687827.db2.gz PFBRVZJSDMHSGH-UHFFFAOYSA-N -1 1 293.714 2.998 20 5 CFBDMM CCCc1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000298650250 381699694 /nfs/dbraw/zinc/69/96/94/381699694.db2.gz OFTVGEYNYYZSAY-UHFFFAOYSA-N -1 1 298.349 2.713 20 5 CFBDMM CCO[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000449492698 383330818 /nfs/dbraw/zinc/33/08/18/383330818.db2.gz JWUPWPFBIIZSAB-IAQYHMDHSA-N -1 1 294.351 2.547 20 5 CFBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000340475748 383434346 /nfs/dbraw/zinc/43/43/46/383434346.db2.gz YGVRLEJJOGKYHB-UHFFFAOYSA-N -1 1 295.682 2.837 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)[n-]1 ZINC000349855655 285104150 /nfs/dbraw/zinc/10/41/50/285104150.db2.gz DDAFCROZDBWVAA-UHFFFAOYSA-N -1 1 256.221 2.640 20 5 CFBDMM CCCc1cnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000271915091 385400565 /nfs/dbraw/zinc/40/05/65/385400565.db2.gz GEUGFWIOQLQKTD-UHFFFAOYSA-N -1 1 280.309 2.584 20 5 CFBDMM Cc1cc(N(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000343187910 154135934 /nfs/dbraw/zinc/13/59/34/154135934.db2.gz DWWAZZNZFLKWRU-UHFFFAOYSA-N -1 1 288.307 2.550 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(COc3ccccc3)no2)[n-]1 ZINC000349863605 163028226 /nfs/dbraw/zinc/02/82/26/163028226.db2.gz MADUAAJRPBGQSR-UHFFFAOYSA-N -1 1 286.247 2.552 20 5 CFBDMM O=C(Nc1cccc([O-])c1F)c1ccc([N+](=O)[O-])s1 ZINC000128326526 280675921 /nfs/dbraw/zinc/67/59/21/280675921.db2.gz NMMXGCCIUSLZHC-UHFFFAOYSA-N -1 1 282.252 2.753 20 5 CFBDMM Cn1c(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000082192675 527044010 /nfs/dbraw/zinc/04/40/10/527044010.db2.gz QCTJEAXROXSCJH-UHFFFAOYSA-N -1 1 295.682 2.545 20 5 CFBDMM C[C@@]1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000062934960 605212443 /nfs/dbraw/zinc/21/24/43/605212443.db2.gz NBOGYMZKURDZRC-CYBMUJFWSA-N -1 1 298.726 2.545 20 5 CFBDMM C[C@@H](C(=O)[N-]OC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000762229587 626905635 /nfs/dbraw/zinc/90/56/35/626905635.db2.gz BIBFJSHXWFLKKF-SNVBAGLBSA-N -1 1 278.308 2.689 20 5 CFBDMM O=[N+]([O-])c1ccc([N-]c2cnn(C(F)F)c2)c([N+](=O)[O-])c1 ZINC000766430204 627202719 /nfs/dbraw/zinc/20/27/19/627202719.db2.gz FOOKNXZFFYQKNQ-UHFFFAOYSA-N -1 1 299.193 2.838 20 5 CFBDMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000794854699 629695469 /nfs/dbraw/zinc/69/54/69/629695469.db2.gz WFVUPESYANZBCL-GHMZBOCLSA-N -1 1 280.324 2.792 20 5 CFBDMM CCN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)C(=O)[O-] ZINC000852734166 634816823 /nfs/dbraw/zinc/81/68/23/634816823.db2.gz FMULOVWNYZDJEG-QMMMGPOBSA-N -1 1 286.715 2.543 20 5 CFBDMM O=C(OC[C@H]1Cc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000803397950 630612572 /nfs/dbraw/zinc/61/25/72/630612572.db2.gz GJTBLCJOYKDHLB-GFCCVEGCSA-N -1 1 299.282 2.797 20 5 CFBDMM CC(C)CC[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225665456 775547157 /nfs/dbraw/zinc/54/71/57/775547157.db2.gz AEHLMBGLCUJJTI-SECBINFHSA-N -1 1 254.286 2.899 20 5 CFBDMM C[C@@H]1CCC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225664524 775547184 /nfs/dbraw/zinc/54/71/84/775547184.db2.gz QBGUUNIMZVSDEX-BDAKNGLRSA-N -1 1 252.270 2.653 20 5 CFBDMM COc1cccc([C@@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])c1 ZINC001225668196 775549987 /nfs/dbraw/zinc/54/99/87/775549987.db2.gz ZVEAHKUMTHERNJ-SECBINFHSA-N -1 1 290.275 2.844 20 5 CFBDMM Cc1cc([O-])c(OC[C@@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC001229750611 776887361 /nfs/dbraw/zinc/88/73/61/776887361.db2.gz OUGFSIRLXUGKHT-JTQLQIEISA-N -1 1 265.265 2.680 20 5 CFBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccnc1Cl ZINC001225667655 777157466 /nfs/dbraw/zinc/15/74/66/777157466.db2.gz VMUSVESLBWBOJP-ZETCQYMHSA-N -1 1 295.682 2.884 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C(C)C)C(F)(F)F)n1 ZINC001231259585 777179054 /nfs/dbraw/zinc/17/90/54/777179054.db2.gz OLGFYZYJTPYCGD-VIFPVBQESA-N -1 1 294.229 2.970 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)C2CCC2)n1 ZINC001231259714 777179175 /nfs/dbraw/zinc/17/91/75/777179175.db2.gz PFQDKOLIDRNNDF-QMMMGPOBSA-N -1 1 252.270 2.571 20 5 CFBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c([O-])cccc1F ZINC000089541213 347521057 /nfs/dbraw/zinc/52/10/57/347521057.db2.gz ACSLHXXWHGOCIV-UHFFFAOYSA-N -1 1 290.250 2.621 20 5 CFBDMM CSCC[C@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093558549 347679844 /nfs/dbraw/zinc/67/98/44/347679844.db2.gz KUFUJOSMDBOFBF-JTQLQIEISA-N -1 1 284.381 2.874 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCS3)no2)[n-]1 ZINC000274253085 348334663 /nfs/dbraw/zinc/33/46/63/348334663.db2.gz XGOXQLPSAGUUJA-ZETCQYMHSA-N -1 1 266.282 2.541 20 5 CFBDMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593290987 349242520 /nfs/dbraw/zinc/24/25/20/349242520.db2.gz SNDTWPUTBQUEPK-LDYMZIIASA-N -1 1 298.726 2.686 20 5 CFBDMM Cc1c([N+](=O)[O-])cccc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000601938024 350809289 /nfs/dbraw/zinc/80/92/89/350809289.db2.gz FPMGSCYYIBXJGK-SDBXPKJASA-N -1 1 273.292 2.652 20 5 CFBDMM CCc1c(C)[n-]n(-c2cccc([N+](=O)[O-])c2C)c1=O ZINC000601939510 350810519 /nfs/dbraw/zinc/81/05/19/350810519.db2.gz LMIPJULKOOZADF-SNVBAGLBSA-N -1 1 261.281 2.652 20 5 CFBDMM CCCc1c(C)[n-]n(-c2cccc([N+](=O)[O-])c2)c1=O ZINC000603923719 351192234 /nfs/dbraw/zinc/19/22/34/351192234.db2.gz MNYQNNKLAROYGK-GFCCVEGCSA-N -1 1 261.281 2.734 20 5 CFBDMM CSc1cc(O)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000490220697 246001815 /nfs/dbraw/zinc/00/18/15/246001815.db2.gz CRYFXGKOFGPVPT-UHFFFAOYSA-N -1 1 293.304 2.603 20 5 CFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1F ZINC000343511655 381762813 /nfs/dbraw/zinc/76/28/13/381762813.db2.gz AEYRANIODFBTSD-UHFFFAOYSA-N -1 1 263.228 2.623 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)[n-]1 ZINC000356969899 381933902 /nfs/dbraw/zinc/93/39/02/381933902.db2.gz FSIUVKIMBKTRDP-UHFFFAOYSA-N -1 1 296.246 2.516 20 5 CFBDMM CCCCN(CCCC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193416924 382719633 /nfs/dbraw/zinc/71/96/33/382719633.db2.gz YYURZKFJBRMBIB-UHFFFAOYSA-N -1 1 295.339 2.738 20 5 CFBDMM CCn1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000339181696 383179796 /nfs/dbraw/zinc/17/97/96/383179796.db2.gz BPSDBBAWYOHHHZ-UHFFFAOYSA-N -1 1 299.290 2.545 20 5 CFBDMM Cc1ccc([N+](=O)[O-])cc1-c1nc2cccnc2c(=O)[n-]1 ZINC000491612072 281015733 /nfs/dbraw/zinc/01/57/33/281015733.db2.gz GBCNFMSNWSPBBT-UHFFFAOYSA-N -1 1 282.259 2.614 20 5 CFBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(O)cc1[O-] ZINC000192712957 534342794 /nfs/dbraw/zinc/34/27/94/534342794.db2.gz ICVUIHOEAPPAGW-UHFFFAOYSA-N -1 1 288.259 2.567 20 5 CFBDMM Cc1ccccc1Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000340648037 525204749 /nfs/dbraw/zinc/20/47/49/525204749.db2.gz 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626864154 /nfs/dbraw/zinc/86/41/54/626864154.db2.gz DPWDANSQMXKGHJ-ZETCQYMHSA-N -1 1 250.258 2.877 20 5 CFBDMM O=C(OCC1CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780066739 628429913 /nfs/dbraw/zinc/42/99/13/628429913.db2.gz CKVRXIUQTLXVEP-UHFFFAOYSA-N -1 1 265.265 2.647 20 5 CFBDMM Cc1cnc([C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC000780076515 628430957 /nfs/dbraw/zinc/43/09/57/628430957.db2.gz RBRIWARXOYLOBT-MRVPVSSYSA-N -1 1 292.247 2.515 20 5 CFBDMM C[C@@H]1CC[C@H](OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000815218791 632232087 /nfs/dbraw/zinc/23/20/87/632232087.db2.gz FTLQUNCUCRXZIH-PELKAZGASA-N -1 1 265.265 2.646 20 5 CFBDMM O=c1cc[n-]c(O[C@H]2CCCc3cccnc32)c1[N+](=O)[O-] ZINC001225662247 775546976 /nfs/dbraw/zinc/54/69/76/775546976.db2.gz RVTGVIAXIUMGDX-NSHDSACASA-N -1 1 287.275 2.547 20 5 CFBDMM CC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(C)(C)C ZINC001225667336 775549290 /nfs/dbraw/zinc/54/92/90/775549290.db2.gz RGYLENRSVAZFCA-VIFPVBQESA-N -1 1 254.286 2.899 20 5 CFBDMM C[C@@H]1CCC[C@H](C)[C@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225668179 775550219 /nfs/dbraw/zinc/55/02/19/775550219.db2.gz ZPVRVTIBRRPHLY-GDGBQDQQSA-N -1 1 266.297 2.899 20 5 CFBDMM C[C@@H]1CCCC[C@@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667995 775550881 /nfs/dbraw/zinc/55/08/81/775550881.db2.gz XQHXQIIBIIQGOP-SCZZXKLOSA-N -1 1 252.270 2.653 20 5 CFBDMM C[C@@H]1CC[C@@H](C)[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225668146 775551181 /nfs/dbraw/zinc/55/11/81/775551181.db2.gz YXTMOLXQOVOYRJ-FXPVBKGRSA-N -1 1 266.297 2.899 20 5 CFBDMM C[C@H](Oc1[n-]c(=S)ncc1F)c1cccc([N+](=O)[O-])c1 ZINC001227386904 776190794 /nfs/dbraw/zinc/19/07/94/776190794.db2.gz QCCNFXSAMZYIKE-ZETCQYMHSA-N -1 1 295.295 2.953 20 5 CFBDMM CCC(CC)[C@H](CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141832 776406547 /nfs/dbraw/zinc/40/65/47/776406547.db2.gz VJRMDTNXEVUXMU-VIFPVBQESA-N -1 1 269.301 2.684 20 5 CFBDMM Cc1ccc([C@@H](C)Oc2nc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001228141654 776406582 /nfs/dbraw/zinc/40/65/82/776406582.db2.gz STJMGSFGBSNINU-SECBINFHSA-N -1 1 275.264 2.539 20 5 CFBDMM O=c1[n-]cnc(O[C@@H](c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC001228142233 776408056 /nfs/dbraw/zinc/40/80/56/776408056.db2.gz BPQFUTZIWZUCTP-LBPRGKRZSA-N -1 1 287.275 2.621 20 5 CFBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC001228143899 776408276 /nfs/dbraw/zinc/40/82/76/776408276.db2.gz QYVNJUJNEJYEBG-ZCFIWIBFSA-N -1 1 297.217 2.509 20 5 CFBDMM CCC[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC001228142224 776408513 /nfs/dbraw/zinc/40/85/13/776408513.db2.gz BKAXYANUCCGVTB-MRVPVSSYSA-N -1 1 269.301 2.684 20 5 CFBDMM O=c1[n-]cnc(O[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC001228141856 776408561 /nfs/dbraw/zinc/40/85/61/776408561.db2.gz VXQUKNVOZLSPPP-OUAUKWLOSA-N -1 1 293.323 2.828 20 5 CFBDMM C[C@H]1C[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC001228144516 776410123 /nfs/dbraw/zinc/41/01/23/776410123.db2.gz VFVNEJBNXLTREX-DTWKUNHWSA-N -1 1 281.312 2.684 20 5 CFBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1nccs1 ZINC001229396471 776799147 /nfs/dbraw/zinc/79/91/47/776799147.db2.gz UTCKNBAKSDJUEW-SSDOTTSWSA-N -1 1 266.278 2.897 20 5 CFBDMM C[C@@H]1CC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC001225666364 777155837 /nfs/dbraw/zinc/15/58/37/777155837.db2.gz HJWGPSUCMAYUQW-UTLUCORTSA-N -1 1 266.297 2.899 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCC[C@@H]2C)n1 ZINC001231258592 777178442 /nfs/dbraw/zinc/17/84/42/777178442.db2.gz ADOZGMLXSJUCLL-XVKPBYJWSA-N -1 1 252.270 2.571 20 5 CFBDMM CCCC(=O)[C@@H](CCC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231261213 777179874 /nfs/dbraw/zinc/17/98/74/777179874.db2.gz ZKHNSYRBNUKUIV-GFCCVEGCSA-N -1 1 296.323 2.921 20 5 CFBDMM CCCC[C@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231260763 777180258 /nfs/dbraw/zinc/18/02/58/777180258.db2.gz WSRVLRZEWAUCCJ-VIFPVBQESA-N -1 1 254.286 2.961 20 5 CFBDMM CC[C@@H](C)[C@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231262416 777180457 /nfs/dbraw/zinc/18/04/57/777180457.db2.gz GGVVQNCMLHCAMN-APPZFPTMSA-N -1 1 254.286 2.817 20 5 CFBDMM O=[N+]([O-])c1cc2nc(O[C@H]3CCCOC3)[n-]c2cc1Cl ZINC001233497285 777969399 /nfs/dbraw/zinc/96/93/99/777969399.db2.gz GHDCTFSMUIYGJI-ZETCQYMHSA-N -1 1 297.698 2.682 20 5 CFBDMM CC[C@H](COC)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233497849 777971053 /nfs/dbraw/zinc/97/10/53/777971053.db2.gz IPPRRPLSNQPPPC-SSDOTTSWSA-N -1 1 299.714 2.928 20 5 CFBDMM O=[N+]([O-])c1cc2nc(OC3CC3)[n-]c2cc1Cl ZINC001233501411 777972536 /nfs/dbraw/zinc/97/25/36/777972536.db2.gz ZRCYEXLHLYWSNG-UHFFFAOYSA-N -1 1 253.645 2.666 20 5 CFBDMM O=C([O-])CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000594539931 349443440 /nfs/dbraw/zinc/44/34/40/349443440.db2.gz KIJRZOOYPXOIOE-UHFFFAOYSA-N -1 1 298.726 2.687 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](CCF)C1 ZINC000595755776 349723888 /nfs/dbraw/zinc/72/38/88/349723888.db2.gz QDYHPTPIYTVAOM-LLVKDONJSA-N -1 1 282.315 2.872 20 5 CFBDMM CC1(C)C[C@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCO1 ZINC000351195522 348487644 /nfs/dbraw/zinc/48/76/44/348487644.db2.gz UGFUCBMQYIVJKO-MRVPVSSYSA-N -1 1 292.295 2.646 20 5 CFBDMM O=C(Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000349258992 304016204 /nfs/dbraw/zinc/01/62/04/304016204.db2.gz CRPHAACQWNZOIF-UHFFFAOYSA-N -1 1 288.288 2.785 20 5 CFBDMM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000601944233 350812629 /nfs/dbraw/zinc/81/26/29/350812629.db2.gz XJZMGVKKWXMARR-SDBXPKJASA-N -1 1 273.292 2.652 20 5 CFBDMM O=C(Nc1c([O-])cccc1F)c1ccc([N+](=O)[O-])cc1F ZINC000609851111 351522759 /nfs/dbraw/zinc/52/27/59/351522759.db2.gz BMEZUQLLJGZNBS-UHFFFAOYSA-N -1 1 294.213 2.831 20 5 CFBDMM CC(C)(C)CCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303247312 382353653 /nfs/dbraw/zinc/35/36/53/382353653.db2.gz MAJQADRSITZSGG-UHFFFAOYSA-N -1 1 295.339 2.642 20 5 CFBDMM O=C(CSc1ncccc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000520934636 383280013 /nfs/dbraw/zinc/28/00/13/383280013.db2.gz DRHQQCUJEHALES-UHFFFAOYSA-N -1 1 290.300 2.670 20 5 CFBDMM O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340472915 383431427 /nfs/dbraw/zinc/43/14/27/383431427.db2.gz GEJLPXBJZPPXGR-UHFFFAOYSA-N -1 1 283.646 2.968 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(CC3CC(F)(F)C3)no2)[n-]1 ZINC000351183494 324340877 /nfs/dbraw/zinc/34/08/77/324340877.db2.gz KQLIQOOARFRUNL-UHFFFAOYSA-N -1 1 284.222 2.561 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3nccc4[nH]ccc43)no2)[n-]1 ZINC000340691193 527342290 /nfs/dbraw/zinc/34/22/90/527342290.db2.gz QQJGYCDIEOOPCQ-UHFFFAOYSA-N -1 1 296.246 2.516 20 5 CFBDMM O=C(Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000334819902 527343824 /nfs/dbraw/zinc/34/38/24/527343824.db2.gz LEUQQNYIVRVMJQ-UHFFFAOYSA-N -1 1 265.656 2.829 20 5 CFBDMM C[C@@H]1CSCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000934297741 617990609 /nfs/dbraw/zinc/99/06/09/617990609.db2.gz KOFKPOVBAVQDRI-SNVBAGLBSA-N -1 1 282.365 2.628 20 5 CFBDMM O=C([O-])[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964237 618054534 /nfs/dbraw/zinc/05/45/34/618054534.db2.gz ZRZDGMBGECYEEH-GFCCVEGCSA-N -1 1 298.726 2.687 20 5 CFBDMM Cc1c([N+](=O)[O-])cccc1-n1[n-]c(CC2CC2)cc1=O ZINC000899350390 620550177 /nfs/dbraw/zinc/55/01/77/620550177.db2.gz YFSQCCUZRXKFNK-UHFFFAOYSA-N -1 1 273.292 2.796 20 5 CFBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1coc(C2CC2)n1 ZINC000763189524 626969366 /nfs/dbraw/zinc/96/93/66/626969366.db2.gz MTLJGTBRQYQFAC-UHFFFAOYSA-N -1 1 291.238 2.852 20 5 CFBDMM O=C(OCc1cccc(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769048740 627399229 /nfs/dbraw/zinc/39/92/29/627399229.db2.gz RKFRKDNQOBQPES-UHFFFAOYSA-N -1 1 291.234 2.797 20 5 CFBDMM Cn1ncc([N-]c2ncc(Cl)cc2[N+](=O)[O-])c1C1CC1 ZINC000770130011 627503958 /nfs/dbraw/zinc/50/39/58/627503958.db2.gz FFHSMEZFBAUGLM-UHFFFAOYSA-N -1 1 293.714 2.998 20 5 CFBDMM C[C@H](COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000780071698 628430426 /nfs/dbraw/zinc/43/04/26/628430426.db2.gz JTUFIMDCCDSQMV-ZCFIWIBFSA-N -1 1 293.197 2.656 20 5 CFBDMM CCCCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780070950 628430620 /nfs/dbraw/zinc/43/06/20/628430620.db2.gz ANRPFPMOVUMXKP-UHFFFAOYSA-N -1 1 253.254 2.647 20 5 CFBDMM C[C@@H](COc1ccccc1)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666762 775548625 /nfs/dbraw/zinc/54/86/25/775548625.db2.gz MBMWPPNXEDJSHO-JTQLQIEISA-N -1 1 290.275 2.542 20 5 CFBDMM CCCC(=O)[C@H](CCC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225668195 775550320 /nfs/dbraw/zinc/55/03/20/775550320.db2.gz ZUVGPEWOCKFBAD-NSHDSACASA-N -1 1 282.296 2.612 20 5 CFBDMM O=c1cc[n-]c(OC2CCCCCC2)c1[N+](=O)[O-] ZINC001225668186 775550504 /nfs/dbraw/zinc/55/05/04/775550504.db2.gz ZRXBHQOPNCYZJQ-UHFFFAOYSA-N -1 1 252.270 2.797 20 5 CFBDMM O=c1cc[n-]c(O[C@@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC001225668016 775550645 /nfs/dbraw/zinc/55/06/45/775550645.db2.gz XUZVQWICUQHFRY-CYBMUJFWSA-N -1 1 287.275 2.621 20 5 CFBDMM C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001225764221 775585108 /nfs/dbraw/zinc/58/51/08/775585108.db2.gz DUVCKXWJBFGJSB-ZETCQYMHSA-N -1 1 293.304 2.519 20 5 CFBDMM CCC[C@@H](C)[C@H](CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228139910 776406521 /nfs/dbraw/zinc/40/65/21/776406521.db2.gz CKYCPJXZJCVWFA-BDAKNGLRSA-N -1 1 269.301 2.684 20 5 CFBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001228141472 776406607 /nfs/dbraw/zinc/40/66/07/776406607.db2.gz QSXQKSNWQUWOKR-ZCFIWIBFSA-N -1 1 297.217 2.509 20 5 CFBDMM C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001228141470 776407123 /nfs/dbraw/zinc/40/71/23/776407123.db2.gz QSXQKSNWQUWOKR-LURJTMIESA-N -1 1 297.217 2.509 20 5 CFBDMM CC(C)C1CCC(Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228142935 776408489 /nfs/dbraw/zinc/40/84/89/776408489.db2.gz IKVXDRZMESPKOZ-UHFFFAOYSA-N -1 1 281.312 2.684 20 5 CFBDMM CCCCCC[C@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228143378 776408619 /nfs/dbraw/zinc/40/86/19/776408619.db2.gz LRSPCDBFKKQKCP-VIFPVBQESA-N -1 1 269.301 2.828 20 5 CFBDMM Cc1cn2c(n1)[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])CCC2 ZINC001229395397 776798054 /nfs/dbraw/zinc/79/80/54/776798054.db2.gz HYUZBUBXZQDYSJ-LBPRGKRZSA-N -1 1 289.291 2.719 20 5 CFBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccncc1F ZINC001229395568 776799234 /nfs/dbraw/zinc/79/92/34/776799234.db2.gz JNMARUDWWDJNNR-MRVPVSSYSA-N -1 1 278.239 2.975 20 5 CFBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC001229396345 776799891 /nfs/dbraw/zinc/79/98/91/776799891.db2.gz SFSWRBZNAXOETP-SECBINFHSA-N -1 1 260.249 2.835 20 5 CFBDMM Cc1nn(C)cc1[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229750133 776887594 /nfs/dbraw/zinc/88/75/94/776887594.db2.gz KIDOLLBVLUJLCP-SNVBAGLBSA-N -1 1 291.307 2.791 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)CC(C)C)n1 ZINC001231259094 777178238 /nfs/dbraw/zinc/17/82/38/777178238.db2.gz FQCNPUXQJDOWDL-SECBINFHSA-N -1 1 254.286 2.817 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C(C)C)C(F)(F)F)n1 ZINC001231259578 777178428 /nfs/dbraw/zinc/17/84/28/777178428.db2.gz OLGFYZYJTPYCGD-SECBINFHSA-N -1 1 294.229 2.970 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCC(F)(F)C2)n1 ZINC001231262759 777180079 /nfs/dbraw/zinc/18/00/79/777180079.db2.gz GXHUHLIPESHHAT-ZETCQYMHSA-N -1 1 274.223 2.570 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCC(=O)CC2(C)C)n1 ZINC001231264405 777181087 /nfs/dbraw/zinc/18/10/87/777181087.db2.gz QJYAHAYTABRNGA-NSHDSACASA-N -1 1 294.307 2.530 20 5 CFBDMM O=[N+]([O-])c1cc2nc(O[C@@H]3CCCOC3)[n-]c2cc1Cl ZINC001233497257 777969307 /nfs/dbraw/zinc/96/93/07/777969307.db2.gz GHDCTFSMUIYGJI-SSDOTTSWSA-N -1 1 297.698 2.682 20 5 CFBDMM CC1(C)CC(=O)CC[C@@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395436 778301237 /nfs/dbraw/zinc/30/12/37/778301237.db2.gz ILGXWOPEHULWOL-ZDUSSCGKSA-N -1 1 279.292 2.827 20 5 CFBDMM CCCCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000601932965 350805770 /nfs/dbraw/zinc/80/57/70/350805770.db2.gz WCHGJQIHWBUNIV-UHFFFAOYSA-N -1 1 261.281 2.878 20 5 CFBDMM Cc1c([N+](=O)[O-])cccc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000601938022 350809590 /nfs/dbraw/zinc/80/95/90/350809590.db2.gz FPMGSCYYIBXJGK-ISVAXAHUSA-N -1 1 273.292 2.652 20 5 CFBDMM CCCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000601940857 350811132 /nfs/dbraw/zinc/81/11/32/350811132.db2.gz SLUQYFLNEZFZJW-UHFFFAOYSA-N -1 1 261.281 2.878 20 5 CFBDMM O=C(Nc1c([O-])cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000609851202 351523233 /nfs/dbraw/zinc/52/32/33/351523233.db2.gz TYKCJVLIPMJSLW-UHFFFAOYSA-N -1 1 276.223 2.692 20 5 CFBDMM O=C([O-])C[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000038027846 304082731 /nfs/dbraw/zinc/08/27/31/304082731.db2.gz VDURUWZGRCJYRP-GFCCVEGCSA-N -1 1 296.298 2.563 20 5 CFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCCc2cc(F)ccc21 ZINC000335814753 284665627 /nfs/dbraw/zinc/66/56/27/284665627.db2.gz FXPZEGQUIJQEJG-UHFFFAOYSA-N -1 1 289.266 2.655 20 5 CFBDMM Cc1cc(C)nc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000356997124 381951795 /nfs/dbraw/zinc/95/17/95/381951795.db2.gz VCNRQPNKBMTUMJ-UHFFFAOYSA-N -1 1 285.263 2.652 20 5 CFBDMM CCc1cnccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000357191288 382049093 /nfs/dbraw/zinc/04/90/93/382049093.db2.gz YQFGUAKVUONVAS-UHFFFAOYSA-N -1 1 285.263 2.597 20 5 CFBDMM Cc1c(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000397021684 382632535 /nfs/dbraw/zinc/63/25/35/382632535.db2.gz RSPAUSCFKLVSKK-GWCFXTLKSA-N -1 1 292.335 2.588 20 5 CFBDMM CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000340477795 383435662 /nfs/dbraw/zinc/43/56/62/383435662.db2.gz NRSKIEIKXZSFSF-UHFFFAOYSA-N -1 1 259.265 2.738 20 5 CFBDMM Cc1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000491594859 394053844 /nfs/dbraw/zinc/05/38/44/394053844.db2.gz UQSNIEYITXGYNI-UHFFFAOYSA-N -1 1 282.259 2.614 20 5 CFBDMM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000343243080 154153550 /nfs/dbraw/zinc/15/35/50/154153550.db2.gz MUOMCUOYHQBYKA-UHFFFAOYSA-N -1 1 289.291 2.962 20 5 CFBDMM Cc1cccc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000355814718 155095705 /nfs/dbraw/zinc/09/57/05/155095705.db2.gz UHEZPBDKTNLNJZ-UHFFFAOYSA-N -1 1 284.275 2.872 20 5 CFBDMM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000346106294 162319168 /nfs/dbraw/zinc/31/91/68/162319168.db2.gz IZQDCRMAIUFQEX-UHFFFAOYSA-N -1 1 297.274 2.565 20 5 CFBDMM Nc1nc([N-]c2csc3ccccc23)ncc1[N+](=O)[O-] ZINC000351880885 163209341 /nfs/dbraw/zinc/20/93/41/163209341.db2.gz BXHUQMIBQRQDGB-UHFFFAOYSA-N -1 1 287.304 2.756 20 5 CFBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1[O-] ZINC000006535046 170211380 /nfs/dbraw/zinc/21/13/80/170211380.db2.gz LKVUSGNOTHYDKI-UHFFFAOYSA-N -1 1 276.223 2.692 20 5 CFBDMM C[C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000334366947 278040499 /nfs/dbraw/zinc/04/04/99/278040499.db2.gz QPUDWFNSHKVVRP-SNVBAGLBSA-N -1 1 285.303 2.762 20 5 CFBDMM C[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000334366946 280029838 /nfs/dbraw/zinc/02/98/38/280029838.db2.gz QPUDWFNSHKVVRP-JTQLQIEISA-N -1 1 285.303 2.762 20 5 CFBDMM Cc1nsc(C)c1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000350549876 324229391 /nfs/dbraw/zinc/22/93/91/324229391.db2.gz SBWDICAXHOZJBB-UHFFFAOYSA-N -1 1 291.292 2.713 20 5 CFBDMM CCSCCCc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000351000798 324293050 /nfs/dbraw/zinc/29/30/50/324293050.db2.gz VCXAFUNRTWXAQW-UHFFFAOYSA-N -1 1 282.325 2.659 20 5 CFBDMM CC(C)(C)c1cnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000361916153 519076142 /nfs/dbraw/zinc/07/61/42/519076142.db2.gz LRZIVTFCTQPQCR-UHFFFAOYSA-N -1 1 294.336 2.929 20 5 CFBDMM CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340427693 521117664 /nfs/dbraw/zinc/11/76/64/521117664.db2.gz ZGVRNGOITRJNKC-UHFFFAOYSA-N -1 1 275.264 2.574 20 5 CFBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cncc([O-])c1 ZINC000159788347 524340805 /nfs/dbraw/zinc/34/08/05/524340805.db2.gz PSYZCPLZDDNWDM-UHFFFAOYSA-N -1 1 287.275 2.565 20 5 CFBDMM O=C([N-]c1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])o1 ZINC000066277557 527198410 /nfs/dbraw/zinc/19/84/10/527198410.db2.gz NUNHDHDVVBRKEK-UHFFFAOYSA-N -1 1 286.165 2.857 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3F)no2)[n-]1 ZINC000340737463 527343012 /nfs/dbraw/zinc/34/30/12/527343012.db2.gz FEXWKDQXMDUEJJ-UHFFFAOYSA-N -1 1 292.201 2.918 20 5 CFBDMM O=C([O-])[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000050509161 527654559 /nfs/dbraw/zinc/65/45/59/527654559.db2.gz MAALRSTWZDVDCF-AWEZNQCLSA-N -1 1 286.287 2.510 20 5 CFBDMM CCN(CCC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000737095775 574110954 /nfs/dbraw/zinc/11/09/54/574110954.db2.gz FMUUZYWVSLLEKP-UHFFFAOYSA-N -1 1 286.715 2.545 20 5 CFBDMM C[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633543 601921382 /nfs/dbraw/zinc/92/13/82/601921382.db2.gz UIGMWIYGPBAQKK-ZDUSSCGKSA-N -1 1 298.726 2.545 20 5 CFBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCN(C)C(=O)[O-] ZINC000833907567 605550951 /nfs/dbraw/zinc/55/09/51/605550951.db2.gz MPENVHLMLQTFHD-NSHDSACASA-N -1 1 295.339 2.506 20 5 CFBDMM CCc1ccc2c(c1)CCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000891386852 618180262 /nfs/dbraw/zinc/18/02/62/618180262.db2.gz NTENHMAQWCFRNV-UHFFFAOYSA-N -1 1 285.303 2.688 20 5 CFBDMM Cc1noc(C)c1[N-]C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000760432149 626745861 /nfs/dbraw/zinc/74/58/61/626745861.db2.gz CLKFFWGDKGMXOR-UHFFFAOYSA-N -1 1 293.254 2.899 20 5 CFBDMM COc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000772895009 627756782 /nfs/dbraw/zinc/75/67/82/627756782.db2.gz CVVOILSOYCXAOZ-UHFFFAOYSA-N -1 1 295.682 2.837 20 5 CFBDMM CC(C)c1nsc([N-]C(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000874697513 642458669 /nfs/dbraw/zinc/45/86/69/642458669.db2.gz RPLJQTWEXVKNLP-UHFFFAOYSA-N -1 1 298.349 2.884 20 5 CFBDMM CCc1nc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)co1 ZINC000800146878 646156466 /nfs/dbraw/zinc/15/64/66/646156466.db2.gz JJBIMAOGSMJTTD-UHFFFAOYSA-N -1 1 293.254 2.845 20 5 CFBDMM O=c1cc[n-]c(O[C@H]2CCc3cc(F)ccc32)c1[N+](=O)[O-] ZINC001225664352 775546829 /nfs/dbraw/zinc/54/68/29/775546829.db2.gz NMHHFPDCYHGCAA-LBPRGKRZSA-N -1 1 290.250 2.901 20 5 CFBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001225662061 775547829 /nfs/dbraw/zinc/54/78/29/775547829.db2.gz QNNUPQJEZMYHSH-QMMMGPOBSA-N -1 1 278.239 2.975 20 5 CFBDMM CCC[C@@H]1CCCC[C@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228139336 776407317 /nfs/dbraw/zinc/40/73/17/776407317.db2.gz AJTKKYPXQRBYIY-NXEZZACHSA-N -1 1 281.312 2.828 20 5 CFBDMM CC[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001228142142 776408430 /nfs/dbraw/zinc/40/84/30/776408430.db2.gz ZAWHRFWINJEKSH-JTQLQIEISA-N -1 1 293.254 2.760 20 5 CFBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC001229396948 776799257 /nfs/dbraw/zinc/79/92/57/776799257.db2.gz CBWZBGALXNWQER-RXMQYKEDSA-N -1 1 251.160 2.630 20 5 CFBDMM C[C@@H](COC(C)(C)C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229398634 776798931 /nfs/dbraw/zinc/79/89/31/776798931.db2.gz WWOXIMSIQKLFAY-VIFPVBQESA-N -1 1 269.297 2.883 20 5 CFBDMM CC1(C)C[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC001229396223 776798959 /nfs/dbraw/zinc/79/89/59/776798959.db2.gz RKSABVNHHLKETA-JTQLQIEISA-N -1 1 267.281 2.637 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])c(OC2CCSCC2)c1 ZINC001229398204 776799665 /nfs/dbraw/zinc/79/96/65/776799665.db2.gz RNGCKHIIDPIZHN-UHFFFAOYSA-N -1 1 255.295 2.575 20 5 CFBDMM O=c1c2ccc([O-])cc2oc2cc(OC[C@H]3CCO3)ccc12 ZINC001229515807 776837485 /nfs/dbraw/zinc/83/74/85/776837485.db2.gz GVPJHZAGKHDOAS-GFCCVEGCSA-N -1 1 298.294 2.820 20 5 CFBDMM Cc1cc([O-])c(O[C@H](C)c2ncccn2)cc1[N+](=O)[O-] ZINC001229749552 776885990 /nfs/dbraw/zinc/88/59/90/776885990.db2.gz DEQPPDKQDHHXPV-SECBINFHSA-N -1 1 275.264 2.539 20 5 CFBDMM Cc1cc([O-])c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1[N+](=O)[O-] ZINC001229749488 776886538 /nfs/dbraw/zinc/88/65/38/776886538.db2.gz BHOBGOAVUNXSMO-OPQQBVKSSA-N -1 1 261.277 2.952 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CC[C@@H](C)C2)n1 ZINC001231259809 777179080 /nfs/dbraw/zinc/17/90/80/777179080.db2.gz PVPQQCGFGRHKTK-VXNVDRBHSA-N -1 1 252.270 2.571 20 5 CFBDMM CC[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C(C)C ZINC001231261290 777180013 /nfs/dbraw/zinc/18/00/13/777180013.db2.gz AHMDONJGQINTTB-SNVBAGLBSA-N -1 1 254.286 2.817 20 5 CFBDMM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2C)c(=O)c1C1CC1 ZINC000601944735 350812563 /nfs/dbraw/zinc/81/25/63/350812563.db2.gz ZXKYREGFJDDVMI-ZDUSSCGKSA-N -1 1 273.292 2.652 20 5 CFBDMM Cc1cc2cc[nH]c2cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000444451482 241141174 /nfs/dbraw/zinc/14/11/74/241141174.db2.gz URGDWYNSMVEQCD-UHFFFAOYSA-N -1 1 284.275 2.965 20 5 CFBDMM O=C([O-])[C@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633485 304180177 /nfs/dbraw/zinc/18/01/77/304180177.db2.gz DNMGXZCCZZPDEM-GFCCVEGCSA-N -1 1 298.726 2.687 20 5 CFBDMM Cc1nsc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000135307052 378114095 /nfs/dbraw/zinc/11/40/95/378114095.db2.gz PCBXSFJMUFEPMP-UHFFFAOYSA-N -1 1 298.711 2.660 20 5 CFBDMM CSC[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330444188 378557984 /nfs/dbraw/zinc/55/79/84/378557984.db2.gz GJOBZKCBSGQWBM-LLVKDONJSA-N -1 1 296.392 2.875 20 5 CFBDMM O=C(Nc1cc(F)c(F)cc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000334451107 379323636 /nfs/dbraw/zinc/32/36/36/379323636.db2.gz UTWNSDPUMYUSRF-UHFFFAOYSA-N -1 1 285.181 2.593 20 5 CFBDMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000295704465 381026645 /nfs/dbraw/zinc/02/66/45/381026645.db2.gz ORJIBFUJEOGBNO-LURJTMIESA-N -1 1 294.204 2.672 20 5 CFBDMM CC(C)(CCc1noc(-c2cc(F)ccc2[O-])n1)[N+](=O)[O-] ZINC000291153068 381687619 /nfs/dbraw/zinc/68/76/19/381687619.db2.gz ZUBFEWOBPYYXEZ-UHFFFAOYSA-N -1 1 295.270 2.569 20 5 CFBDMM O=C(Nc1cccc(-c2cnco2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343680620 381884244 /nfs/dbraw/zinc/88/42/44/381884244.db2.gz VAQLOXAAZSKNJW-UHFFFAOYSA-N -1 1 298.258 2.830 20 5 CFBDMM Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000572100584 383754668 /nfs/dbraw/zinc/75/46/68/383754668.db2.gz MGBVMAHDYMGQPQ-GFCCVEGCSA-N -1 1 292.335 2.590 20 5 CFBDMM O=C([O-])[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633486 393803272 /nfs/dbraw/zinc/80/32/72/393803272.db2.gz DNMGXZCCZZPDEM-LBPRGKRZSA-N -1 1 298.726 2.687 20 5 CFBDMM Cc1ccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000519631059 394372791 /nfs/dbraw/zinc/37/27/91/394372791.db2.gz ATNJOCXEDFTSHY-GFCCVEGCSA-N -1 1 292.335 2.590 20 5 CFBDMM CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340558013 270302280 /nfs/dbraw/zinc/30/22/80/270302280.db2.gz QKWBQODYVGORLW-UHFFFAOYSA-N -1 1 277.305 2.897 20 5 CFBDMM O=C(Nc1ccccc1-c1cn[nH]c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000439732340 270334499 /nfs/dbraw/zinc/33/44/99/270334499.db2.gz ATDQEFHMQQTSLC-UHFFFAOYSA-N -1 1 297.274 2.565 20 5 CFBDMM O=C(c1ccccc1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000122064851 280625822 /nfs/dbraw/zinc/62/58/22/280625822.db2.gz DKDVCHSLWNQGJY-UHFFFAOYSA-N -1 1 284.271 2.503 20 5 CFBDMM CC(C)(C)c1coc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000563632991 290165866 /nfs/dbraw/zinc/16/58/66/290165866.db2.gz VYPNZNJTOIPBRQ-UHFFFAOYSA-N -1 1 279.252 2.726 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc4cc[nH]c4n3)no2)[n-]1 ZINC000350904739 324279964 /nfs/dbraw/zinc/27/99/64/324279964.db2.gz BGJZSUAKGAYLPM-UHFFFAOYSA-N -1 1 296.246 2.516 20 5 CFBDMM O=C([O-])[C@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000050509165 526314271 /nfs/dbraw/zinc/31/42/71/526314271.db2.gz MAALRSTWZDVDCF-CQSZACIVSA-N -1 1 286.287 2.510 20 5 CFBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1[O-] ZINC000340329177 527272189 /nfs/dbraw/zinc/27/21/89/527272189.db2.gz VZPLTSQTQIYGCN-UHFFFAOYSA-N -1 1 290.250 2.621 20 5 CFBDMM O=C([O-])[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633474 601113312 /nfs/dbraw/zinc/11/33/12/601113312.db2.gz GFGLIYNNEZVLNE-SECBINFHSA-N -1 1 298.726 2.545 20 5 CFBDMM O=C([O-])C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964261 618054550 /nfs/dbraw/zinc/05/45/50/618054550.db2.gz ROONKBWMXAVUPP-SNVBAGLBSA-N -1 1 298.726 2.687 20 5 CFBDMM O=C(Nc1cc(F)ccc1[O-])c1cc(F)ccc1[N+](=O)[O-] ZINC000179645800 618332790 /nfs/dbraw/zinc/33/27/90/618332790.db2.gz MLICEKKZXGBBRJ-UHFFFAOYSA-N -1 1 294.213 2.831 20 5 CFBDMM CCOc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000739778117 618430498 /nfs/dbraw/zinc/43/04/98/618430498.db2.gz VJCHVNBSFHMBIG-UHFFFAOYSA-N -1 1 289.291 2.598 20 5 CFBDMM C[C@H](C(=O)[N-]OCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000817383403 632617809 /nfs/dbraw/zinc/61/78/09/632617809.db2.gz LRWLRBVBHJUMCE-JTQLQIEISA-N -1 1 278.308 2.546 20 5 CFBDMM C[C@H](C(=O)[N-]OCC1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000856350498 635792674 /nfs/dbraw/zinc/79/26/74/635792674.db2.gz XFSHUWQKBXVQKC-VIFPVBQESA-N -1 1 296.298 2.685 20 5 CFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1nccs1 ZINC000800143872 646154513 /nfs/dbraw/zinc/15/45/13/646154513.db2.gz IOZLHLPSTVDQQP-UHFFFAOYSA-N -1 1 281.268 2.751 20 5 CFBDMM Cc1ncoc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800151019 646157519 /nfs/dbraw/zinc/15/75/19/646157519.db2.gz JHRHNRYDDPVTSK-UHFFFAOYSA-N -1 1 279.227 2.591 20 5 CFBDMM Cc1cc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)no1 ZINC000800149007 646157907 /nfs/dbraw/zinc/15/79/07/646157907.db2.gz UQGHPRRZFPFIRD-UHFFFAOYSA-N -1 1 279.227 2.591 20 5 CFBDMM Cc1ccc([C@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])cn1 ZINC001225666534 775549042 /nfs/dbraw/zinc/54/90/42/775549042.db2.gz KBAVFSLEUGWCSG-VIFPVBQESA-N -1 1 275.264 2.539 20 5 CFBDMM O=c1cc[n-]c(O[C@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC001225668019 775550978 /nfs/dbraw/zinc/55/09/78/775550978.db2.gz XUZVQWICUQHFRY-ZDUSSCGKSA-N -1 1 287.275 2.621 20 5 CFBDMM C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1[N+](=O)[O-] ZINC001225765984 775586830 /nfs/dbraw/zinc/58/68/30/775586830.db2.gz PHXPDFMOUNHFCC-ZETCQYMHSA-N -1 1 293.304 2.519 20 5 CFBDMM CC(C)CCC[C@@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228140371 776406632 /nfs/dbraw/zinc/40/66/32/776406632.db2.gz JEBPSEQPSXDILD-SECBINFHSA-N -1 1 269.301 2.684 20 5 CFBDMM CCC[C@H](C)[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228140946 776407208 /nfs/dbraw/zinc/40/72/08/776407208.db2.gz OHXKYAHBWCMVKB-ONGXEEELSA-N -1 1 283.328 2.930 20 5 CFBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ncccc1F ZINC001229395487 776798368 /nfs/dbraw/zinc/79/83/68/776798368.db2.gz IQCQJNDQZJMPQZ-MRVPVSSYSA-N -1 1 278.239 2.975 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCc3cccnc32)c1 ZINC001229395496 776798380 /nfs/dbraw/zinc/79/83/80/776798380.db2.gz ISYYYQUJFKEFRY-GFCCVEGCSA-N -1 1 272.260 2.762 20 5 CFBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC001229397878 776799862 /nfs/dbraw/zinc/79/98/62/776799862.db2.gz NJPLRUUMZAXOPG-VIFPVBQESA-N -1 1 260.249 2.835 20 5 CFBDMM C[C@H](Cc1ccco1)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395877 776800018 /nfs/dbraw/zinc/80/00/18/776800018.db2.gz MTUGLSWQHONYJW-SECBINFHSA-N -1 1 263.249 2.903 20 5 CFBDMM CC(C)CCOC(=O)[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396258 776800262 /nfs/dbraw/zinc/80/02/62/776800262.db2.gz RUNXZZZUZXFKRR-SNVBAGLBSA-N -1 1 297.307 2.657 20 5 CFBDMM Cc1cc([O-])c(OC[C@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC001229750613 776887863 /nfs/dbraw/zinc/88/78/63/776887863.db2.gz OUGFSIRLXUGKHT-SNVBAGLBSA-N -1 1 265.265 2.680 20 5 CFBDMM CCC[C@H](CC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259440 777178957 /nfs/dbraw/zinc/17/89/57/777178957.db2.gz LNTMEHVYLHAEQB-VIFPVBQESA-N -1 1 254.286 2.961 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CC[C@H](C)CC2)n1 ZINC001231260633 777180461 /nfs/dbraw/zinc/18/04/61/777180461.db2.gz UYNSNJDIEIEOPZ-CZMCAQCFSA-N -1 1 266.297 2.961 20 5 CFBDMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001233650800 778024915 /nfs/dbraw/zinc/02/49/15/778024915.db2.gz RMMRZGRCZYWNMT-HNNXBMFYSA-N -1 1 293.319 2.809 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)[n-]1 ZINC000594538507 349443648 /nfs/dbraw/zinc/44/36/48/349443648.db2.gz YOGYGSCYXUKAFI-HLTSFMKQSA-N -1 1 274.280 2.877 20 5 CFBDMM CSC[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093760616 347682948 /nfs/dbraw/zinc/68/29/48/347682948.db2.gz WQVQZSUTVGDRAZ-LLVKDONJSA-N -1 1 282.365 2.628 20 5 CFBDMM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000601934740 350807896 /nfs/dbraw/zinc/80/78/96/350807896.db2.gz DTMFQCFUOJRKPA-TVQRCGJNSA-N -1 1 273.292 2.652 20 5 CFBDMM Cc1c([N+](=O)[O-])cccc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000601938021 350809552 /nfs/dbraw/zinc/80/95/52/350809552.db2.gz FPMGSCYYIBXJGK-AMIZOPFISA-N -1 1 273.292 2.652 20 5 CFBDMM CCCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000601937981 350809603 /nfs/dbraw/zinc/80/96/03/350809603.db2.gz DWDNFELVPGSDGL-UHFFFAOYSA-N -1 1 261.281 2.796 20 5 CFBDMM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000601944227 350812879 /nfs/dbraw/zinc/81/28/79/350812879.db2.gz XJZMGVKKWXMARR-AMIZOPFISA-N -1 1 273.292 2.652 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(CCF)CC1 ZINC000602734570 351006553 /nfs/dbraw/zinc/00/65/53/351006553.db2.gz RPUAPRRHOZYLCB-UHFFFAOYSA-N -1 1 282.315 2.872 20 5 CFBDMM CSc1cccc(C(=O)[N-]c2cnoc2)c1[N+](=O)[O-] ZINC000614408922 352090682 /nfs/dbraw/zinc/09/06/82/352090682.db2.gz OMWPUIKRERYNTA-UHFFFAOYSA-N -1 1 279.277 2.557 20 5 CFBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000085204530 374797260 /nfs/dbraw/zinc/79/72/60/374797260.db2.gz VZWQKQFRQPWSIT-UHFFFAOYSA-N -1 1 281.655 2.534 20 5 CFBDMM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000332201187 378736098 /nfs/dbraw/zinc/73/60/98/378736098.db2.gz CGAUEQYHOUJXND-SNVBAGLBSA-N -1 1 282.365 2.628 20 5 CFBDMM C[C@@H](CCC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000347105519 380942277 /nfs/dbraw/zinc/94/22/77/380942277.db2.gz HPIFVORCAHMTNB-VIFPVBQESA-N -1 1 295.339 2.640 20 5 CFBDMM Cn1c2ccc([N+](=O)[O-])cc2nc1-c1cc([O-])cc(F)c1 ZINC000349018055 381793557 /nfs/dbraw/zinc/79/35/57/381793557.db2.gz YYDKDUKVIYZKLT-UHFFFAOYSA-N -1 1 287.250 2.993 20 5 CFBDMM CCCCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000188242777 382375142 /nfs/dbraw/zinc/37/51/42/382375142.db2.gz UZIJKMQDFLFWPA-UHFFFAOYSA-N -1 1 295.339 2.736 20 5 CFBDMM CC[C@@H](C(=O)[O-])N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191400738 382699777 /nfs/dbraw/zinc/69/97/77/382699777.db2.gz GMACOBMPAVDFDP-NSHDSACASA-N -1 1 286.715 2.543 20 5 CFBDMM CO[C@@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000339148606 383166967 /nfs/dbraw/zinc/16/69/67/383166967.db2.gz OOCMVDGOZDIFOT-VIFPVBQESA-N -1 1 289.291 2.883 20 5 CFBDMM CSc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340457373 383424720 /nfs/dbraw/zinc/42/47/20/383424720.db2.gz BTNUARHAXOKZGP-UHFFFAOYSA-N -1 1 277.305 2.897 20 5 CFBDMM O=C(Nc1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000340478218 383437579 /nfs/dbraw/zinc/43/75/79/383437579.db2.gz BCZLYVWLIJTJLD-UHFFFAOYSA-N -1 1 271.276 2.664 20 5 CFBDMM O=C([N-]CCCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000265934361 384032264 /nfs/dbraw/zinc/03/22/64/384032264.db2.gz AYPXXVJKFZIGIK-UHFFFAOYSA-N -1 1 290.241 2.596 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3F)no2)[n-]1 ZINC000355775437 155082489 /nfs/dbraw/zinc/08/24/89/155082489.db2.gz JMWNDIZIDRPPQU-UHFFFAOYSA-N -1 1 274.211 2.779 20 5 CFBDMM O=C(Nc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000351685078 163173596 /nfs/dbraw/zinc/17/35/96/163173596.db2.gz BJPXZMLHJLMTJS-UHFFFAOYSA-N -1 1 282.259 2.723 20 5 CFBDMM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000334229762 279019493 /nfs/dbraw/zinc/01/94/93/279019493.db2.gz QSTDWYPNMPPLKQ-SECBINFHSA-N -1 1 271.276 2.514 20 5 CFBDMM O=C(Nc1cc(F)ccc1[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC000136989747 280786069 /nfs/dbraw/zinc/78/60/69/280786069.db2.gz WKSSKNGZBIKLOV-UHFFFAOYSA-N -1 1 294.213 2.831 20 5 CFBDMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000263378753 604782523 /nfs/dbraw/zinc/78/25/23/604782523.db2.gz BDBBBBSPHPRQOZ-NSHDSACASA-N -1 1 298.726 2.687 20 5 CFBDMM C/C(=C\CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000833381458 605051575 /nfs/dbraw/zinc/05/15/75/605051575.db2.gz CNIRJDRUAMZYIX-DHZHZOJOSA-N -1 1 290.319 2.590 20 5 CFBDMM COc1cnc(C=Cc2ccc(C)c([N+](=O)[O-])c2)[n-]c1=O ZINC000821009271 622819720 /nfs/dbraw/zinc/81/97/20/622819720.db2.gz YNYUMWSHGZJMAJ-AATRIKPKSA-N -1 1 287.275 2.578 20 5 CFBDMM CC(C)(CCc1nc(-c2ccc([O-])cc2F)no1)[N+](=O)[O-] ZINC000834701466 625792575 /nfs/dbraw/zinc/79/25/75/625792575.db2.gz BNOGAZISSWRGTA-UHFFFAOYSA-N -1 1 295.270 2.569 20 5 CFBDMM O=[N+]([O-])c1c([N-]c2cnn(C(F)F)c2)nc2ccccn21 ZINC000766434557 627203152 /nfs/dbraw/zinc/20/31/52/627203152.db2.gz RNYAQHMIKRXIGW-UHFFFAOYSA-N -1 1 294.221 2.578 20 5 CFBDMM Cn1ncc([N-]c2nc3ccccn3c2[N+](=O)[O-])c1C1CC1 ZINC000770126579 627504065 /nfs/dbraw/zinc/50/40/65/627504065.db2.gz AVIZQBRZMKSMPX-UHFFFAOYSA-N -1 1 298.306 2.597 20 5 CFBDMM O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000853905234 635154791 /nfs/dbraw/zinc/15/47/91/635154791.db2.gz PWADGOKULJQUFW-ILWJIGKKSA-N -1 1 277.276 2.503 20 5 CFBDMM O=c1cc[n-]c(O[C@@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC001225665475 775548479 /nfs/dbraw/zinc/54/84/79/775548479.db2.gz AKGKUXYPCBSSNM-NWGYLPEXSA-N -1 1 264.281 2.653 20 5 CFBDMM CC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(C)(C)C ZINC001225667333 775548578 /nfs/dbraw/zinc/54/85/78/775548578.db2.gz RGYLENRSVAZFCA-SECBINFHSA-N -1 1 254.286 2.899 20 5 CFBDMM CC1(C)CC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC(C)(C)O1 ZINC001225664717 775549355 /nfs/dbraw/zinc/54/93/55/775549355.db2.gz RYSCAWMZFHOOIW-UHFFFAOYSA-N -1 1 296.323 2.810 20 5 CFBDMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1ccccc1[N+](=O)[O-] ZINC001227383961 776189035 /nfs/dbraw/zinc/18/90/35/776189035.db2.gz UXKAEBWFCPESSY-SSDOTTSWSA-N -1 1 295.295 2.953 20 5 CFBDMM Cc1cccc([C@H](C)Oc2nc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001228140912 776407174 /nfs/dbraw/zinc/40/71/74/776407174.db2.gz NNHMABJLZLUICY-VIFPVBQESA-N -1 1 275.264 2.539 20 5 CFBDMM CC[C@@H](C)C[C@@H](CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144186 776409596 /nfs/dbraw/zinc/40/95/96/776409596.db2.gz SLMNWFXSKHFYFD-RKDXNWHRSA-N -1 1 269.301 2.684 20 5 CFBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC001229395365 776798454 /nfs/dbraw/zinc/79/84/54/776798454.db2.gz HPXHDGWODXJVPU-VIFPVBQESA-N -1 1 260.249 2.835 20 5 CFBDMM C[C@@H]1c2cnccc2C[C@@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229400474 776801320 /nfs/dbraw/zinc/80/13/20/776801320.db2.gz WASGREANHFVRCD-OTYXRUKQSA-N -1 1 286.287 2.803 20 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/nfs/dbraw/zinc/18/16/96/777181696.db2.gz VQAYTBNTWGNEAA-VIFPVBQESA-N -1 1 278.264 2.607 20 5 CFBDMM CC(C)C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228140308 778015842 /nfs/dbraw/zinc/01/58/42/778015842.db2.gz HJFOTLWCHQKBLZ-VIFPVBQESA-N -1 1 269.301 2.540 20 5 CFBDMM CC1(C)CC(=O)CC[C@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395433 778301287 /nfs/dbraw/zinc/30/12/87/778301287.db2.gz ILGXWOPEHULWOL-CYBMUJFWSA-N -1 1 279.292 2.827 20 5 CFBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC1CCC1 ZINC001234878222 778320090 /nfs/dbraw/zinc/32/00/90/778320090.db2.gz TZUCYFIZOQVQLO-UHFFFAOYSA-N -1 1 288.097 2.994 20 5 CFBDMM CCCCN(CCOC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093322967 347668900 /nfs/dbraw/zinc/66/89/00/347668900.db2.gz SNFMCYBXYCLDLG-UHFFFAOYSA-N -1 1 282.340 2.549 20 5 CFBDMM COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000135406002 347906598 /nfs/dbraw/zinc/90/65/98/347906598.db2.gz GEMCBGMORWBSHD-UHFFFAOYSA-N -1 1 288.259 2.561 20 5 CFBDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1csc([N+](=O)[O-])c1 ZINC000600676482 350595963 /nfs/dbraw/zinc/59/59/63/350595963.db2.gz XNSFRQPJDJZMQZ-RKDXNWHRSA-N -1 1 298.364 2.730 20 5 CFBDMM CCCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2OC)c1=O ZINC000601934765 350807719 /nfs/dbraw/zinc/80/77/19/350807719.db2.gz FHHCPOJESKLXLR-NSHDSACASA-N -1 1 291.307 2.742 20 5 CFBDMM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000601934741 350808017 /nfs/dbraw/zinc/80/80/17/350808017.db2.gz DTMFQCFUOJRKPA-ZANVPECISA-N -1 1 273.292 2.652 20 5 CFBDMM CC(C)(CCc1nc(-c2ccc([O-])c(F)c2)no1)[N+](=O)[O-] ZINC000297073381 200078099 /nfs/dbraw/zinc/07/80/99/200078099.db2.gz WKTQSYBBGLTOHP-UHFFFAOYSA-N -1 1 295.270 2.569 20 5 CFBDMM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000449582697 242048813 /nfs/dbraw/zinc/04/88/13/242048813.db2.gz GZOWFKIKCCRJAT-LBPRGKRZSA-N -1 1 296.367 2.529 20 5 CFBDMM CCC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000452681350 243261121 /nfs/dbraw/zinc/26/11/21/243261121.db2.gz YWPIECCYZJXISC-LLVKDONJSA-N -1 1 295.339 2.640 20 5 CFBDMM CCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(F)cc1 ZINC000340532634 383460356 /nfs/dbraw/zinc/46/03/56/383460356.db2.gz HPPGYWTWRZBULT-UHFFFAOYSA-N -1 1 277.255 2.729 20 5 CFBDMM CC(C)c1nn(C)cc1[N-]c1ncc([N+](=O)[O-])s1 ZINC000282008782 394109750 /nfs/dbraw/zinc/10/97/50/394109750.db2.gz UZPUVKRTDNLKDP-UHFFFAOYSA-N -1 1 267.314 2.652 20 5 CFBDMM CCc1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)sc1C ZINC000343652202 161831707 /nfs/dbraw/zinc/83/17/07/161831707.db2.gz DNLMKXJLXLIESX-UHFFFAOYSA-N -1 1 280.309 2.503 20 5 CFBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Cl ZINC000345382684 162239461 /nfs/dbraw/zinc/23/94/61/162239461.db2.gz LFYYDVSCNSNUMC-UHFFFAOYSA-N -1 1 295.682 2.837 20 5 CFBDMM COc1c(C)ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000340690845 521804181 /nfs/dbraw/zinc/80/41/81/521804181.db2.gz IVMQOIDBWJNJMR-UHFFFAOYSA-N -1 1 289.291 2.801 20 5 CFBDMM C/C(=C/CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000825729979 604785660 /nfs/dbraw/zinc/78/56/60/604785660.db2.gz OUKFDNXOAFNBDF-XFFZJAGNSA-N -1 1 290.319 2.590 20 5 CFBDMM O=C(OCc1ccccc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049781 627399267 /nfs/dbraw/zinc/39/92/67/627399267.db2.gz SLJGRTCWWVAHRV-UHFFFAOYSA-N -1 1 291.234 2.797 20 5 CFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccncc1 ZINC000780076383 628430878 /nfs/dbraw/zinc/43/08/78/628430878.db2.gz PROTXOBUCWDTFV-VIFPVBQESA-N -1 1 288.259 2.613 20 5 CFBDMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000794854703 629695403 /nfs/dbraw/zinc/69/54/03/629695403.db2.gz WFVUPESYANZBCL-QWRGUYRKSA-N -1 1 280.324 2.792 20 5 CFBDMM C[C@@H](C(=O)[N-]OCC1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000856350497 635792122 /nfs/dbraw/zinc/79/21/22/635792122.db2.gz XFSHUWQKBXVQKC-SECBINFHSA-N -1 1 296.298 2.685 20 5 CFBDMM O=C([O-])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000874049737 642327954 /nfs/dbraw/zinc/32/79/54/642327954.db2.gz DRQZPKVFAXDFKH-SNVBAGLBSA-N -1 1 298.726 2.545 20 5 CFBDMM C[C@@H](COc1[n-]ccc(=O)c1[N+](=O)[O-])Oc1ccccc1 ZINC001225664932 775548350 /nfs/dbraw/zinc/54/83/50/775548350.db2.gz UQIWFXXUOSOVBP-JTQLQIEISA-N -1 1 290.275 2.542 20 5 CFBDMM C[C@H](COc1[n-]ccc(=O)c1[N+](=O)[O-])Oc1ccccc1 ZINC001225664933 775548892 /nfs/dbraw/zinc/54/88/92/775548892.db2.gz UQIWFXXUOSOVBP-SNVBAGLBSA-N -1 1 290.275 2.542 20 5 CFBDMM C[C@H](Cc1ccccc1)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225668193 775550671 /nfs/dbraw/zinc/55/06/71/775550671.db2.gz ZURULROTSJOOMW-SNVBAGLBSA-N -1 1 274.276 2.705 20 5 CFBDMM CC(C)=CCC[C@@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228140734 776406646 /nfs/dbraw/zinc/40/66/46/776406646.db2.gz MURYACSGYLDPTG-SECBINFHSA-N -1 1 267.285 2.604 20 5 CFBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC001228142276 776407952 /nfs/dbraw/zinc/40/79/52/776407952.db2.gz CQHNIEDAVSLKCW-SSDOTTSWSA-N -1 1 295.682 2.884 20 5 CFBDMM CC[C@H](C[C@@H](C)CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144183 776408283 /nfs/dbraw/zinc/40/82/83/776408283.db2.gz SLMNWFXSKHFYFD-DTWKUNHWSA-N -1 1 269.301 2.684 20 5 CFBDMM CCOC(=O)[C@@H](CC(C)C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396095 776800064 /nfs/dbraw/zinc/80/00/64/776800064.db2.gz PSZLFQHLHBGIHG-CYBMUJFWSA-N -1 1 297.307 2.657 20 5 CFBDMM CO[C@H]1CCCC[C@@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229400824 776801771 /nfs/dbraw/zinc/80/17/71/776801771.db2.gz ZUNYJFQNYASDSU-RYUDHWBXSA-N -1 1 267.281 2.637 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC001231259284 777179292 /nfs/dbraw/zinc/17/92/92/777179292.db2.gz IZWCRFSCQQREQB-IQJOONFLSA-N -1 1 264.281 2.571 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2cccnc2F)n1 ZINC001231265100 777181208 /nfs/dbraw/zinc/18/12/08/777181208.db2.gz XVMPXSMJBDWXMO-MRVPVSSYSA-N -1 1 293.254 2.678 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCCC[C@@H]2F)n1 ZINC001231265153 781925904 /nfs/dbraw/zinc/92/59/04/781925904.db2.gz ZCMOAJAOSHPHQF-WCBMZHEXSA-N -1 1 270.260 2.663 20 5 CFBDMM CC1(C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093339779 347669836 /nfs/dbraw/zinc/66/98/36/347669836.db2.gz NKLDMMYXKSBMTI-UHFFFAOYSA-N -1 1 250.298 2.532 20 5 CFBDMM CCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2C)[n-]1 ZINC000601942003 350811847 /nfs/dbraw/zinc/81/18/47/350811847.db2.gz GHMTWBDJDCYSTO-UHFFFAOYSA-N -1 1 261.281 2.796 20 5 CFBDMM CCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2C)c1=O ZINC000601943229 350811928 /nfs/dbraw/zinc/81/19/28/350811928.db2.gz PZRRPBDOOBNZIP-LLVKDONJSA-N -1 1 261.281 2.652 20 5 CFBDMM O=[N+]([O-])c1ccsc1[N-]c1cnn(CC(F)F)c1 ZINC000301986726 201289075 /nfs/dbraw/zinc/28/90/75/201289075.db2.gz DBTPMKFZKQMRTJ-UHFFFAOYSA-N -1 1 274.252 2.862 20 5 CFBDMM O=C([N-]c1cc(F)ccc1F)c1ccc([N+](=O)[O-])o1 ZINC000020448639 284282990 /nfs/dbraw/zinc/28/29/90/284282990.db2.gz FVIBCIHGQYRRHM-UHFFFAOYSA-N -1 1 268.175 2.718 20 5 CFBDMM COc1ccc2nc(-c3cccc([N+](=O)[O-])c3)[n-]c(=O)c2c1 ZINC000063580900 373809405 /nfs/dbraw/zinc/80/94/05/373809405.db2.gz XYVDMZFCQUIJMP-UHFFFAOYSA-N -1 1 297.270 2.507 20 5 CFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c(C)c1O ZINC000358714517 381030285 /nfs/dbraw/zinc/03/02/85/381030285.db2.gz OWVQXCMHOPOHHM-UHFFFAOYSA-N -1 1 289.291 2.806 20 5 CFBDMM O=C(Nc1cccc(OCCF)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000347899370 381404003 /nfs/dbraw/zinc/40/40/03/381404003.db2.gz MQZHQFMKKWELOZ-UHFFFAOYSA-N -1 1 293.254 2.524 20 5 CFBDMM CC(C)CCC[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186848564 382029929 /nfs/dbraw/zinc/02/99/29/382029929.db2.gz YBXKUACVJRDXDB-JTQLQIEISA-N -1 1 295.339 2.640 20 5 CFBDMM O=C(Nc1cccc(-c2ncco2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000338354968 383000105 /nfs/dbraw/zinc/00/01/05/383000105.db2.gz GDTLUWORVIYECK-UHFFFAOYSA-N -1 1 298.258 2.830 20 5 CFBDMM CSc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000338387289 383014797 /nfs/dbraw/zinc/01/47/97/383014797.db2.gz MPUYJCVOVFRSOY-UHFFFAOYSA-N -1 1 291.332 2.921 20 5 CFBDMM CO[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1(C)C ZINC000449498320 383335868 /nfs/dbraw/zinc/33/58/68/383335868.db2.gz KCVMNBCIPVMNEM-CQSZACIVSA-N -1 1 294.351 2.547 20 5 CFBDMM O=C(Nc1cccc2ccncc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000531280092 383845122 /nfs/dbraw/zinc/84/51/22/383845122.db2.gz DQYCXZZBRIJVLX-UHFFFAOYSA-N -1 1 282.259 2.723 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC(F)(F)C3)no2)[n-]1 ZINC000281494852 285104878 /nfs/dbraw/zinc/10/48/78/285104878.db2.gz TYZRGZMLGANOJT-LURJTMIESA-N -1 1 284.222 2.876 20 5 CFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N(CC1CC1)c1ccccc1 ZINC000267740036 384454279 /nfs/dbraw/zinc/45/42/79/384454279.db2.gz NZHJLSWYJVFENW-UHFFFAOYSA-N -1 1 285.303 2.980 20 5 CFBDMM CCCc1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000487269585 393993143 /nfs/dbraw/zinc/99/31/43/393993143.db2.gz NWOSLNQRKUCUBQ-UHFFFAOYSA-N -1 1 294.336 2.893 20 5 CFBDMM C[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330560333 287275276 /nfs/dbraw/zinc/27/52/76/287275276.db2.gz BJUFLZGKYIDZGJ-SNVBAGLBSA-N -1 1 250.298 2.675 20 5 CFBDMM CC(C)c1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000044368464 280421783 /nfs/dbraw/zinc/42/17/83/280421783.db2.gz XKVQPNNWWZEKFO-UHFFFAOYSA-N -1 1 298.349 2.884 20 5 CFBDMM Nc1cnc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cn1 ZINC000562292607 327464533 /nfs/dbraw/zinc/46/45/33/327464533.db2.gz HIGYHIQRSLMZHZ-UHFFFAOYSA-N -1 1 289.298 2.528 20 5 CFBDMM O=C([O-])CC[C@@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000086754858 527595830 /nfs/dbraw/zinc/59/58/30/527595830.db2.gz BQTCBXMTVGJSIY-NSHDSACASA-N -1 1 298.364 2.876 20 5 CFBDMM C/C(=C/CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000833381459 605051589 /nfs/dbraw/zinc/05/15/89/605051589.db2.gz CNIRJDRUAMZYIX-FLIBITNWSA-N -1 1 290.319 2.590 20 5 CFBDMM CSCC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000932586987 617887934 /nfs/dbraw/zinc/88/79/34/617887934.db2.gz USIWJKVJJWORMB-UHFFFAOYSA-N -1 1 296.392 2.875 20 5 CFBDMM O=C([O-])[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000263422950 620142466 /nfs/dbraw/zinc/14/24/66/620142466.db2.gz PMBZDVOKSSOQND-GFCCVEGCSA-N -1 1 298.726 2.687 20 5 CFBDMM O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000762392681 626913389 /nfs/dbraw/zinc/91/33/89/626913389.db2.gz VUXXSSBVUATLHN-UHFFFAOYSA-N -1 1 297.274 2.565 20 5 CFBDMM O=C(O[C@@H]1C=CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071603 628430153 /nfs/dbraw/zinc/43/01/53/628430153.db2.gz JELAKNXYKFGVHQ-GFCCVEGCSA-N -1 1 263.249 2.566 20 5 CFBDMM O=C(OCCc1cccs1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076233 628431087 /nfs/dbraw/zinc/43/10/87/628431087.db2.gz TXBGRAPCSFCCDU-UHFFFAOYSA-N -1 1 293.300 2.761 20 5 CFBDMM O=C(Cc1ccc(F)cc1[N+](=O)[O-])[N-]OC1CCCCC1 ZINC000845962629 632604881 /nfs/dbraw/zinc/60/48/81/632604881.db2.gz ZAHOKDQRPMEGCP-UHFFFAOYSA-N -1 1 296.298 2.657 20 5 CFBDMM COc1cccc([C@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])c1 ZINC001225668197 775550103 /nfs/dbraw/zinc/55/01/03/775550103.db2.gz ZVEAHKUMTHERNJ-VIFPVBQESA-N -1 1 290.275 2.844 20 5 CFBDMM CC(C)[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228143556 776408394 /nfs/dbraw/zinc/40/83/94/776408394.db2.gz MRJPLDJKIRPLOK-LBPRGKRZSA-N -1 1 289.291 2.867 20 5 CFBDMM CCCCOC[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396125 776799530 /nfs/dbraw/zinc/79/95/30/776799530.db2.gz QCSFEGKZYSFOKU-JTQLQIEISA-N -1 1 269.297 2.884 20 5 CFBDMM Cc1nn(C)cc1[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229750130 776886202 /nfs/dbraw/zinc/88/62/02/776886202.db2.gz KIDOLLBVLUJLCP-JTQLQIEISA-N -1 1 291.307 2.791 20 5 CFBDMM Cc1cc([O-])c(OC2CCSCC2)cc1[N+](=O)[O-] ZINC001229750614 776888144 /nfs/dbraw/zinc/88/81/44/776888144.db2.gz OWFXRUDVJWSCSU-UHFFFAOYSA-N -1 1 269.322 2.883 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2ccccn2)n1 ZINC001231258751 777178794 /nfs/dbraw/zinc/17/87/94/777178794.db2.gz CGKPOQADEYJNQI-SECBINFHSA-N -1 1 275.264 2.539 20 5 CFBDMM CC[C@@H](C)[C@@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231262424 777180363 /nfs/dbraw/zinc/18/03/63/777180363.db2.gz GGVVQNCMLHCAMN-VXNVDRBHSA-N -1 1 254.286 2.817 20 5 CFBDMM CCS[C@H](C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000273912428 192359741 /nfs/dbraw/zinc/35/97/41/192359741.db2.gz KSXAAVZQKZLVFM-ZCFIWIBFSA-N -1 1 268.298 2.787 20 5 CFBDMM Cc1[n-]n(-c2cccc([N+](=O)[O-])c2C)c(=O)c1C1CC1 ZINC000601938807 350810104 /nfs/dbraw/zinc/81/01/04/350810104.db2.gz JRPHKEJIAWLIBW-ZDUSSCGKSA-N -1 1 273.292 2.652 20 5 CFBDMM CCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2Cl)c1=O ZINC000601938834 350810559 /nfs/dbraw/zinc/81/05/59/350810559.db2.gz KLGNHZRHUHCRTJ-SECBINFHSA-N -1 1 281.699 2.997 20 5 CFBDMM CCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2C)c1=O ZINC000601943230 350811879 /nfs/dbraw/zinc/81/18/79/350811879.db2.gz PZRRPBDOOBNZIP-NSHDSACASA-N -1 1 261.281 2.652 20 5 CFBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cnoc2)c1 ZINC000604542992 351217910 /nfs/dbraw/zinc/21/79/10/351217910.db2.gz SEEUIOYHRHVRAM-UHFFFAOYSA-N -1 1 279.277 2.557 20 5 CFBDMM C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000332201185 378735205 /nfs/dbraw/zinc/73/52/05/378735205.db2.gz CGAUEQYHOUJXND-JTQLQIEISA-N -1 1 282.365 2.628 20 5 CFBDMM CC(C)N(Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000332031512 378718813 /nfs/dbraw/zinc/71/88/13/378718813.db2.gz XGUFPFAWOKBJTI-UHFFFAOYSA-N -1 1 250.298 2.673 20 5 CFBDMM Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000334193285 378906186 /nfs/dbraw/zinc/90/61/86/378906186.db2.gz KOOHYNXPZGPONZ-UHFFFAOYSA-N -1 1 259.265 2.792 20 5 CFBDMM CCCNc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000359888738 381660247 /nfs/dbraw/zinc/66/02/47/381660247.db2.gz VMOZOXSBHVNRRG-UHFFFAOYSA-N -1 1 288.307 2.997 20 5 CFBDMM CCOc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000343572550 381807660 /nfs/dbraw/zinc/80/76/60/381807660.db2.gz XXVFEFLLQNSXJA-UHFFFAOYSA-N -1 1 289.291 2.882 20 5 CFBDMM O=C(Nc1cncc2ccccc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000534757628 382936732 /nfs/dbraw/zinc/93/67/32/382936732.db2.gz KUJLXQVMIZKUPX-UHFFFAOYSA-N -1 1 282.259 2.723 20 5 CFBDMM O=C(Nc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340586567 383479845 /nfs/dbraw/zinc/47/98/45/383479845.db2.gz RHPDWRQYIGAJBA-UHFFFAOYSA-N -1 1 282.259 2.723 20 5 CFBDMM O=C(Nc1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343243505 154153419 /nfs/dbraw/zinc/15/34/19/154153419.db2.gz NXWNZFCHSKAQGL-UHFFFAOYSA-N -1 1 283.646 2.968 20 5 CFBDMM Cc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1[N+](=O)[O-] ZINC000192712802 227270064 /nfs/dbraw/zinc/27/00/64/227270064.db2.gz CCMXGSACHATRNT-UHFFFAOYSA-N -1 1 288.259 2.567 20 5 CFBDMM CCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000338697287 520204569 /nfs/dbraw/zinc/20/45/69/520204569.db2.gz KPONRMYISOENGY-UHFFFAOYSA-N -1 1 289.291 2.712 20 5 CFBDMM Cc1noc(C)c1[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000751108403 574369358 /nfs/dbraw/zinc/36/93/58/574369358.db2.gz HUMPRIPJZOPUSV-UHFFFAOYSA-N -1 1 279.227 2.591 20 5 CFBDMM O=C([O-])c1ccc(/C=C\c2cc(O)ccc2[N+](=O)[O-])nc1 ZINC000833311704 604773224 /nfs/dbraw/zinc/77/32/24/604773224.db2.gz BBXZKCIIBSMLTL-IWQZZHSRSA-N -1 1 286.243 2.564 20 5 CFBDMM CCC(F)(F)C(=O)[N-]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000911474164 622522146 /nfs/dbraw/zinc/52/21/46/622522146.db2.gz VWELMXBHYKDCSV-UHFFFAOYSA-N -1 1 294.204 2.535 20 5 CFBDMM CC[C@@H](C)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780077469 628431092 /nfs/dbraw/zinc/43/10/92/628431092.db2.gz ZBUJYZPMIFOPRS-MRVPVSSYSA-N -1 1 253.254 2.503 20 5 CFBDMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000794854701 629695248 /nfs/dbraw/zinc/69/52/48/629695248.db2.gz WFVUPESYANZBCL-MNOVXSKESA-N -1 1 280.324 2.792 20 5 CFBDMM CC(C)SCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000803397984 630612252 /nfs/dbraw/zinc/61/22/52/630612252.db2.gz HTIXWVLORKFXBS-UHFFFAOYSA-N -1 1 285.321 2.599 20 5 CFBDMM C[C@@H]1CC[C@@H](OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000815218792 632232235 /nfs/dbraw/zinc/23/22/35/632232235.db2.gz FTLQUNCUCRXZIH-PRHODGIISA-N -1 1 265.265 2.646 20 5 CFBDMM O=C([O-])C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC1 ZINC000848599236 633297554 /nfs/dbraw/zinc/29/75/54/633297554.db2.gz FEKJDSRRZCIVQJ-UHFFFAOYSA-N -1 1 298.726 2.687 20 5 CFBDMM O=C([O-])CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC1 ZINC000848599236 633297557 /nfs/dbraw/zinc/29/75/57/633297557.db2.gz FEKJDSRRZCIVQJ-UHFFFAOYSA-N -1 1 298.726 2.687 20 5 CFBDMM Cc1nn(C)c(NCc2ccc([O-])c(Cl)c2)c1[N+](=O)[O-] ZINC000872726835 641913548 /nfs/dbraw/zinc/91/35/48/641913548.db2.gz WKSZGIDNSQJAPM-UHFFFAOYSA-N -1 1 296.714 2.608 20 5 CFBDMM Cc1ncc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)s1 ZINC000195226308 650743405 /nfs/dbraw/zinc/74/34/05/650743405.db2.gz LAHBMKKDTDNFJV-UHFFFAOYSA-N -1 1 299.258 2.890 20 5 CFBDMM O=c1cc[n-]c(O[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC001225661799 775545224 /nfs/dbraw/zinc/54/52/24/775545224.db2.gz PKNSFODFEHIYBV-GFCCVEGCSA-N -1 1 272.260 2.762 20 5 CFBDMM CCC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(C)C ZINC001225667108 775549086 /nfs/dbraw/zinc/54/90/86/775549086.db2.gz PNNWRMCRNBDSCP-JTQLQIEISA-N -1 1 254.286 2.899 20 5 CFBDMM C/C=C/[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC001228140638 776407383 /nfs/dbraw/zinc/40/73/83/776407383.db2.gz LHPHGIKHRBTARN-SZHMKSFOSA-N -1 1 293.323 2.994 20 5 CFBDMM CCC[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC001228142225 776408350 /nfs/dbraw/zinc/40/83/50/776408350.db2.gz BKAXYANUCCGVTB-QMMMGPOBSA-N -1 1 269.301 2.684 20 5 CFBDMM O=c1[n-]cnc(O[C@H](c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC001228142232 776408713 /nfs/dbraw/zinc/40/87/13/776408713.db2.gz BPQFUTZIWZUCTP-GFCCVEGCSA-N -1 1 287.275 2.621 20 5 CFBDMM Cc1nc(O[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376656 776795420 /nfs/dbraw/zinc/79/54/20/776795420.db2.gz WICRFLALNWRRFJ-ZETCQYMHSA-N -1 1 293.254 2.678 20 5 CFBDMM Cc1c([C@@H](C)Oc2cc([N+](=O)[O-])c(C)cc2[O-])cnn1C ZINC001229751213 776887530 /nfs/dbraw/zinc/88/75/30/776887530.db2.gz SPMRVMPXUXZYLQ-SNVBAGLBSA-N -1 1 291.307 2.791 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2ccccn2)n1 ZINC001231258752 777178340 /nfs/dbraw/zinc/17/83/40/777178340.db2.gz CGKPOQADEYJNQI-VIFPVBQESA-N -1 1 275.264 2.539 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)COC(C)(C)C)n1 ZINC001231259574 777178463 /nfs/dbraw/zinc/17/84/63/777178463.db2.gz OHMWJOXKSCLPDL-VIFPVBQESA-N -1 1 284.312 2.586 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2ccncc2)n1 ZINC001231259649 777179222 /nfs/dbraw/zinc/17/92/22/777179222.db2.gz OWNIOQKGKPDBLX-VIFPVBQESA-N -1 1 275.264 2.539 20 5 CFBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ncccc1F ZINC001124332322 779646720 /nfs/dbraw/zinc/64/67/20/779646720.db2.gz XKKBTKXEDTXEOB-UHFFFAOYSA-N -1 1 279.202 2.520 20 5 CFBDMM O=C([O-])C[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000593290092 349242237 /nfs/dbraw/zinc/24/22/37/349242237.db2.gz CWOARSZUCFSDEM-JTQLQIEISA-N -1 1 296.298 2.563 20 5 CFBDMM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000601934738 350807558 /nfs/dbraw/zinc/80/75/58/350807558.db2.gz DTMFQCFUOJRKPA-NOZJJQNGSA-N -1 1 273.292 2.652 20 5 CFBDMM CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000610712533 351595623 /nfs/dbraw/zinc/59/56/23/351595623.db2.gz YDZOACRZAUFTGS-UHFFFAOYSA-N -1 1 285.303 2.861 20 5 CFBDMM O=C([O-])[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000426781636 239263033 /nfs/dbraw/zinc/26/30/33/239263033.db2.gz BMDMAFQPTXSBRJ-GFCCVEGCSA-N -1 1 292.316 2.572 20 5 CFBDMM CCC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000452681353 243262198 /nfs/dbraw/zinc/26/21/98/243262198.db2.gz YWPIECCYZJXISC-NSHDSACASA-N -1 1 295.339 2.640 20 5 CFBDMM O=C([O-])[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444692 304180152 /nfs/dbraw/zinc/18/01/52/304180152.db2.gz WSHSVMRANRQRNZ-LLVKDONJSA-N -1 1 298.726 2.687 20 5 CFBDMM CN(CCC1CCOCC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330448856 378558689 /nfs/dbraw/zinc/55/86/89/378558689.db2.gz HGSIDDPDISBQQE-UHFFFAOYSA-N -1 1 294.351 2.549 20 5 CFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCc2c1cccc2Cl ZINC000334618038 379636209 /nfs/dbraw/zinc/63/62/09/379636209.db2.gz MPUCFIKYPUZVFC-UHFFFAOYSA-N -1 1 291.694 2.779 20 5 CFBDMM CCc1cc(=O)[n-]c(SCc2ccccc2[N+](=O)[O-])n1 ZINC000188102857 382344700 /nfs/dbraw/zinc/34/47/00/382344700.db2.gz XROTYGCGXMAFJX-UHFFFAOYSA-N -1 1 291.332 2.533 20 5 CFBDMM Cc1c(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000397021687 382632388 /nfs/dbraw/zinc/63/23/88/382632388.db2.gz RSPAUSCFKLVSKK-ZWNOBZJWSA-N -1 1 292.335 2.588 20 5 CFBDMM Cc1noc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000340251715 383392599 /nfs/dbraw/zinc/39/25/99/383392599.db2.gz HVCDTFQPCVEALW-UHFFFAOYSA-N -1 1 279.227 2.591 20 5 CFBDMM Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2o1 ZINC000340632387 383489456 /nfs/dbraw/zinc/48/94/56/383489456.db2.gz HTGWYVXYAURRFS-UHFFFAOYSA-N -1 1 286.247 2.625 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)[n-]1 ZINC000281494855 195263050 /nfs/dbraw/zinc/26/30/50/195263050.db2.gz TYZRGZMLGANOJT-ZCFIWIBFSA-N -1 1 284.222 2.876 20 5 CFBDMM Cc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000355818464 155096841 /nfs/dbraw/zinc/09/68/41/155096841.db2.gz MXBOQVYNPWNSBC-UHFFFAOYSA-N -1 1 284.275 2.872 20 5 CFBDMM O=C(Nc1nc2ccsc2s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000344430282 162042469 /nfs/dbraw/zinc/04/24/69/162042469.db2.gz JKSDYZAHPGZESY-UHFFFAOYSA-N -1 1 294.317 2.846 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccsc3)no2)[n-]1 ZINC000349875244 163029184 /nfs/dbraw/zinc/02/91/84/163029184.db2.gz CILDATFMICSOOC-UHFFFAOYSA-N -1 1 262.250 2.701 20 5 CFBDMM COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000349867924 163029859 /nfs/dbraw/zinc/02/98/59/163029859.db2.gz YFVWJUUNIIHWAV-UHFFFAOYSA-N -1 1 286.247 2.649 20 5 CFBDMM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000335721017 279818693 /nfs/dbraw/zinc/81/86/93/279818693.db2.gz IZGVHBICFVGFMS-VIFPVBQESA-N -1 1 271.276 2.687 20 5 CFBDMM O=C([N-]c1cccc2ocnc21)c1ccc([N+](=O)[O-])o1 ZINC000341582172 518201048 /nfs/dbraw/zinc/20/10/48/518201048.db2.gz IGQARCFNNGIIKE-UHFFFAOYSA-N -1 1 273.204 2.581 20 5 CFBDMM O=C([O-])[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000426793051 534532155 /nfs/dbraw/zinc/53/21/55/534532155.db2.gz OWHLFHSUQKIHQP-GFCCVEGCSA-N -1 1 292.316 2.572 20 5 CFBDMM C[C@@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633544 601921264 /nfs/dbraw/zinc/92/12/64/601921264.db2.gz UIGMWIYGPBAQKK-CYBMUJFWSA-N -1 1 298.726 2.545 20 5 CFBDMM CC(C)CO[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804586279 630761126 /nfs/dbraw/zinc/76/11/26/630761126.db2.gz XHLPEZRPNGVRRJ-UHFFFAOYSA-N -1 1 255.230 2.503 20 5 CFBDMM CO[C@@H](COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC(C)C ZINC000842085227 631531297 /nfs/dbraw/zinc/53/12/97/631531297.db2.gz FYWGZZYJDFNYRS-CYBMUJFWSA-N -1 1 297.307 2.518 20 5 CFBDMM C[C@H](C(=O)[N-]OCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000856350717 635793391 /nfs/dbraw/zinc/79/33/91/635793391.db2.gz PBFFLTSQMDMFOD-JTQLQIEISA-N -1 1 278.308 2.546 20 5 CFBDMM CSc1nc(Nc2cc(F)cc([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC001216481654 770944210 /nfs/dbraw/zinc/94/42/10/770944210.db2.gz WLMGXFFAIPIENL-UHFFFAOYSA-N -1 1 296.283 2.695 20 5 CFBDMM C[C@H]1CCC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225667230 775548438 /nfs/dbraw/zinc/54/84/38/775548438.db2.gz QBGUUNIMZVSDEX-IUCAKERBSA-N -1 1 252.270 2.653 20 5 CFBDMM C[C@@H]1CCC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])[C@@H]1C ZINC001225666756 775549493 /nfs/dbraw/zinc/54/94/93/775549493.db2.gz LZVPDKBLARHZSU-FXPVBKGRSA-N -1 1 266.297 2.899 20 5 CFBDMM C[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1[N+](=O)[O-] ZINC001225765983 775586510 /nfs/dbraw/zinc/58/65/10/775586510.db2.gz PHXPDFMOUNHFCC-SSDOTTSWSA-N -1 1 293.304 2.519 20 5 CFBDMM CCC[C@@H](C)[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228140945 776407408 /nfs/dbraw/zinc/40/74/08/776407408.db2.gz OHXKYAHBWCMVKB-MWLCHTKSSA-N -1 1 283.328 2.930 20 5 CFBDMM Cc1ccccc1[C@@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228143128 776408143 /nfs/dbraw/zinc/40/81/43/776408143.db2.gz JQYOVOFMXLBSPF-SECBINFHSA-N -1 1 275.264 2.539 20 5 CFBDMM CC(C)[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228143555 776408203 /nfs/dbraw/zinc/40/82/03/776408203.db2.gz MRJPLDJKIRPLOK-GFCCVEGCSA-N -1 1 289.291 2.867 20 5 CFBDMM CC(C)CC(CC(C)C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228143854 776408370 /nfs/dbraw/zinc/40/83/70/776408370.db2.gz QQZFSKGVAMWHCT-UHFFFAOYSA-N -1 1 283.328 2.930 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])c(OC2Cc3ccccc3C2)c1 ZINC001229398635 776799503 /nfs/dbraw/zinc/79/95/03/776799503.db2.gz WYOKVHMEIUYNLW-UHFFFAOYSA-N -1 1 271.272 2.847 20 5 CFBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccncc1F ZINC001229395570 776799985 /nfs/dbraw/zinc/79/99/85/776799985.db2.gz JNMARUDWWDJNNR-QMMMGPOBSA-N -1 1 278.239 2.975 20 5 CFBDMM Cc1cc([O-])c(OCC[C@H]2COC(C)(C)O2)cc1[N+](=O)[O-] ZINC001229750669 776887885 /nfs/dbraw/zinc/88/78/85/776887885.db2.gz QAMPQAUOLDXGGO-JTQLQIEISA-N -1 1 297.307 2.529 20 5 CFBDMM Cc1cc([O-])c(O[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC001229755762 776889273 /nfs/dbraw/zinc/88/92/73/776889273.db2.gz ZWOZTAXDWWXJDU-SNVBAGLBSA-N -1 1 281.308 2.945 20 5 CFBDMM C[C@@H]1CCC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])[C@H]1C ZINC001225666760 777156284 /nfs/dbraw/zinc/15/62/84/777156284.db2.gz LZVPDKBLARHZSU-YWVKMMECSA-N -1 1 266.297 2.899 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCCC[C@H]2F)n1 ZINC001231265151 777181582 /nfs/dbraw/zinc/18/15/82/777181582.db2.gz ZCMOAJAOSHPHQF-PSASIEDQSA-N -1 1 270.260 2.663 20 5 CFBDMM CCc1nn(C)cc1[N-]c1ncc(Cl)cc1[N+](=O)[O-] ZINC000091026411 180089466 /nfs/dbraw/zinc/08/94/66/180089466.db2.gz GNTFONCBTIVLRF-UHFFFAOYSA-N -1 1 281.703 2.683 20 5 CFBDMM CCCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000601935100 350807691 /nfs/dbraw/zinc/80/76/91/350807691.db2.gz PMEDOBMTWWOYMK-GFCCVEGCSA-N -1 1 261.281 2.734 20 5 CFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCCCc2sccc21 ZINC000619557749 353036416 /nfs/dbraw/zinc/03/64/16/353036416.db2.gz WWZXKMXVCJAYMJ-UHFFFAOYSA-N -1 1 291.332 2.968 20 5 CFBDMM CCC1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCCC1 ZINC000456211367 244104637 /nfs/dbraw/zinc/10/46/37/244104637.db2.gz BKUVECCFBIPULG-UHFFFAOYSA-N -1 1 293.323 2.538 20 5 CFBDMM O=C(Nc1ccc(O)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000085204467 374796088 /nfs/dbraw/zinc/79/60/88/374796088.db2.gz YBJVRTHVHDVABB-UHFFFAOYSA-N -1 1 281.655 2.534 20 5 CFBDMM CC(C)(CCC(=O)Nc1ccc([O-])c(Cl)c1)[N+](=O)[O-] ZINC000295473239 380878488 /nfs/dbraw/zinc/87/84/88/380878488.db2.gz ITCKXVYIPFHDAL-UHFFFAOYSA-N -1 1 286.715 2.820 20 5 CFBDMM CCn1ncc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000354498063 381304694 /nfs/dbraw/zinc/30/46/94/381304694.db2.gz APXLCPRJPKXOQC-UHFFFAOYSA-N -1 1 299.290 2.545 20 5 CFBDMM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000195211614 270251265 /nfs/dbraw/zinc/25/12/65/270251265.db2.gz ZSDQBPQVCKYRSK-MRVPVSSYSA-N -1 1 292.382 2.513 20 5 CFBDMM CC(C)(C)CCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193550314 382720939 /nfs/dbraw/zinc/72/09/39/382720939.db2.gz FFZGNFZUPJYTNM-UHFFFAOYSA-N -1 1 295.339 2.642 20 5 CFBDMM O=C(Nc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000340561810 383471448 /nfs/dbraw/zinc/47/14/48/383471448.db2.gz URPRYMDHLJMGQD-UHFFFAOYSA-N -1 1 297.217 2.777 20 5 CFBDMM Cc1nn(C)c(C)c1[N-]c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269415402 132167159 /nfs/dbraw/zinc/16/71/59/132167159.db2.gz YCWAXQXEACAWQS-UHFFFAOYSA-N -1 1 281.703 2.737 20 5 CFBDMM O=[N+]([O-])c1ccsc1[N-]c1cnn(C[C@H]2CCCO2)c1 ZINC000301930796 393482811 /nfs/dbraw/zinc/48/28/11/393482811.db2.gz KZNMVODRAJACRU-SNVBAGLBSA-N -1 1 294.336 2.775 20 5 CFBDMM CC[C@H](C)n1ncc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000361302338 394169494 /nfs/dbraw/zinc/16/94/94/394169494.db2.gz WJMPSVTWHVAYKH-QMMMGPOBSA-N -1 1 291.311 2.651 20 5 CFBDMM COc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000349843619 163025514 /nfs/dbraw/zinc/02/55/14/163025514.db2.gz LGGOJHKVGVQKSE-UHFFFAOYSA-N -1 1 286.247 2.649 20 5 CFBDMM CSc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000353000218 163285191 /nfs/dbraw/zinc/28/51/91/163285191.db2.gz QRKCFUKHBHKRQI-UHFFFAOYSA-N -1 1 291.332 2.921 20 5 CFBDMM CCOC1(C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339207875 521635753 /nfs/dbraw/zinc/63/57/53/521635753.db2.gz JMOQPJAYVGHZMH-UHFFFAOYSA-N -1 1 294.351 2.691 20 5 CFBDMM O=C(c1ccccc1[O-])N1CCc2c1cccc2[N+](=O)[O-] ZINC000172424523 534750004 /nfs/dbraw/zinc/75/00/04/534750004.db2.gz BUWAHMNEOQGGRQ-UHFFFAOYSA-N -1 1 284.271 2.503 20 5 CFBDMM O=C(Nc1ccc(F)cc1[O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000340332101 527214773 /nfs/dbraw/zinc/21/47/73/527214773.db2.gz IEMXTDYOJVHHPG-UHFFFAOYSA-N -1 1 294.213 2.831 20 5 CFBDMM C[C@]1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000062935035 601912899 /nfs/dbraw/zinc/91/28/99/601912899.db2.gz XYSJJPABGFAIPH-ZDUSSCGKSA-N -1 1 298.726 2.545 20 5 CFBDMM O=C([O-])[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000077253466 604787055 /nfs/dbraw/zinc/78/70/55/604787055.db2.gz HXEPBSLQSNQRFQ-JTQLQIEISA-N -1 1 298.726 2.545 20 5 CFBDMM C[C@]1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000062934959 605212633 /nfs/dbraw/zinc/21/26/33/605212633.db2.gz NBOGYMZKURDZRC-ZDUSSCGKSA-N -1 1 298.726 2.545 20 5 CFBDMM O=C([O-])[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964238 618054376 /nfs/dbraw/zinc/05/43/76/618054376.db2.gz ZRZDGMBGECYEEH-LBPRGKRZSA-N -1 1 298.726 2.687 20 5 CFBDMM O=C([O-])C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964262 618054694 /nfs/dbraw/zinc/05/46/94/618054694.db2.gz ROONKBWMXAVUPP-JTQLQIEISA-N -1 1 298.726 2.687 20 5 CFBDMM CC(F)(F)CCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000922539564 626304487 /nfs/dbraw/zinc/30/44/87/626304487.db2.gz CMQMQKAKBSHCDF-UHFFFAOYSA-N -1 1 289.234 2.893 20 5 CFBDMM O=C(Cc1ccccc1[N+](=O)[O-])[N-]OC1CCCCC1 ZINC000777964125 628268652 /nfs/dbraw/zinc/26/86/52/628268652.db2.gz GYQOEBUCFFHCGE-UHFFFAOYSA-N -1 1 278.308 2.518 20 5 CFBDMM CC[C@H](C)CO[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000813623353 631942882 /nfs/dbraw/zinc/94/28/82/631942882.db2.gz XTEAHUVXBZFQAN-QMMMGPOBSA-N -1 1 269.257 2.893 20 5 CFBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001225661114 775545128 /nfs/dbraw/zinc/54/51/28/775545128.db2.gz JFZATRYDWDLCFB-QMMMGPOBSA-N -1 1 278.239 2.975 20 5 CFBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001225661112 775545414 /nfs/dbraw/zinc/54/54/14/775545414.db2.gz JFZATRYDWDLCFB-MRVPVSSYSA-N -1 1 278.239 2.975 20 5 CFBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001225662054 775546729 /nfs/dbraw/zinc/54/67/29/775546729.db2.gz QNNUPQJEZMYHSH-MRVPVSSYSA-N -1 1 278.239 2.975 20 5 CFBDMM COc1ccc([C@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])cc1 ZINC001225665686 775548408 /nfs/dbraw/zinc/54/84/08/775548408.db2.gz DCASOHQMLHWBSN-VIFPVBQESA-N -1 1 290.275 2.844 20 5 CFBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccnc1Cl ZINC001225667654 775549119 /nfs/dbraw/zinc/54/91/19/775549119.db2.gz VMUSVESLBWBOJP-SSDOTTSWSA-N -1 1 295.682 2.884 20 5 CFBDMM CCC[C@@H]1CCCC[C@@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228139340 776406734 /nfs/dbraw/zinc/40/67/34/776406734.db2.gz AJTKKYPXQRBYIY-ZJUUUORDSA-N -1 1 281.312 2.828 20 5 CFBDMM O=c1[n-]cnc(O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC001228141853 776407936 /nfs/dbraw/zinc/40/79/36/776407936.db2.gz VXQUKNVOZLSPPP-GARJFASQSA-N -1 1 293.323 2.828 20 5 CFBDMM CC[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC001228141960 776408377 /nfs/dbraw/zinc/40/83/77/776408377.db2.gz XLZMVJQQLZNMLL-JTQLQIEISA-N -1 1 281.312 2.828 20 5 CFBDMM O=c1[n-]cnc(O[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC001228143608 776408463 /nfs/dbraw/zinc/40/84/63/776408463.db2.gz NSXJGSCUGGJLQT-NSHDSACASA-N -1 1 287.275 2.547 20 5 CFBDMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144575 776409497 /nfs/dbraw/zinc/40/94/97/776409497.db2.gz VPJSIJATAWWFJO-OUAUKWLOSA-N -1 1 295.339 2.930 20 5 CFBDMM CC1(C)[C@H]2CC[C@]1(C)[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001228144936 776409822 /nfs/dbraw/zinc/40/98/22/776409822.db2.gz XPBXHDQXUZRAIT-ATEUNZGCSA-N -1 1 293.323 2.684 20 5 CFBDMM Cc1nc(O[C@H](C)c2ccccc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376944 776795912 /nfs/dbraw/zinc/79/59/12/776795912.db2.gz YDNBOYKYFXGGIB-SSDOTTSWSA-N -1 1 293.254 2.678 20 5 CFBDMM CC1(C)C[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC001229396225 776799016 /nfs/dbraw/zinc/79/90/16/776799016.db2.gz RKSABVNHHLKETA-SNVBAGLBSA-N -1 1 267.281 2.637 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCCC[C@@H]2F)c1 ZINC001229396032 776799197 /nfs/dbraw/zinc/79/91/97/776799197.db2.gz PHMDSNYLKRXGES-GXSJLCMTSA-N -1 1 255.245 2.960 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCCC[C@H]2F)c1 ZINC001229396035 776799284 /nfs/dbraw/zinc/79/92/84/776799284.db2.gz PHMDSNYLKRXGES-MWLCHTKSSA-N -1 1 255.245 2.960 20 5 CFBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC001229397431 776799807 /nfs/dbraw/zinc/79/98/07/776799807.db2.gz HPXHDGWODXJVPU-SECBINFHSA-N -1 1 260.249 2.835 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CC(F)(F)C2(F)F)c1 ZINC001229399859 776801266 /nfs/dbraw/zinc/80/12/66/776801266.db2.gz NZJQKAXVDKAYSV-MRVPVSSYSA-N -1 1 281.161 2.722 20 5 CFBDMM CCCCOC(=O)[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229750163 776886399 /nfs/dbraw/zinc/88/63/99/776886399.db2.gz KUKKBMSSWCXUNY-SNVBAGLBSA-N -1 1 297.307 2.719 20 5 CFBDMM CO[C@H]1CCCC[C@@H]1Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229753038 776887653 /nfs/dbraw/zinc/88/76/53/776887653.db2.gz GAEZHOSJWWRKKM-STQMWFEESA-N -1 1 281.308 2.945 20 5 CFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC3CC3)c12 ZINC001234741076 778294484 /nfs/dbraw/zinc/29/44/84/778294484.db2.gz FOJHQFUIEDLBGU-UHFFFAOYSA-N -1 1 284.267 2.899 20 5 CFBDMM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000601934739 350807844 /nfs/dbraw/zinc/80/78/44/350807844.db2.gz DTMFQCFUOJRKPA-RNCFNFMXSA-N -1 1 273.292 2.652 20 5 CFBDMM O=C(Nc1ccc(C2CCC2)cn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000294800594 199188784 /nfs/dbraw/zinc/18/87/84/199188784.db2.gz PHFNWYINSPXUEK-UHFFFAOYSA-N -1 1 286.291 2.838 20 5 CFBDMM CCc1noc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120811856 376698981 /nfs/dbraw/zinc/69/89/81/376698981.db2.gz KOLDRDHLWAXCDT-UHFFFAOYSA-N -1 1 293.254 2.845 20 5 CFBDMM CC1(C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000330434794 378555053 /nfs/dbraw/zinc/55/50/53/378555053.db2.gz QBCRWTJOMXGPNT-UHFFFAOYSA-N -1 1 264.325 2.922 20 5 CFBDMM O=C(Nc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000335907231 380086547 /nfs/dbraw/zinc/08/65/47/380086547.db2.gz PUADNMOVFOTRQJ-UHFFFAOYSA-N -1 1 285.181 2.593 20 5 CFBDMM CCc1cccc2c1N(C(=O)c1ccc([N+](=O)[O-])[n-]1)CC2 ZINC000523069983 383346582 /nfs/dbraw/zinc/34/65/82/383346582.db2.gz YLEDKGHIUUEUSQ-UHFFFAOYSA-N -1 1 285.303 2.688 20 5 CFBDMM O=C(Nc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340476315 383436278 /nfs/dbraw/zinc/43/62/78/383436278.db2.gz UAVDONIJIFFSHI-UHFFFAOYSA-N -1 1 297.217 2.777 20 5 CFBDMM O=C(Nc1cccc2ncccc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000340480717 383437025 /nfs/dbraw/zinc/43/70/25/383437025.db2.gz UHQKKWSJEUGIFT-UHFFFAOYSA-N -1 1 282.259 2.723 20 5 CFBDMM O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000346327714 162382897 /nfs/dbraw/zinc/38/28/97/162382897.db2.gz LRNIUHQAWFKJJB-UHFFFAOYSA-N -1 1 289.295 2.556 20 5 CFBDMM Cc1ccc2nc(-c3ccc([N+](=O)[O-])s3)[n-]c(=O)c2c1 ZINC000165074471 322384456 /nfs/dbraw/zinc/38/44/56/322384456.db2.gz TTWNYXUGNGBIPA-UHFFFAOYSA-N -1 1 287.300 2.868 20 5 CFBDMM CCOc1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000339190726 521510635 /nfs/dbraw/zinc/51/06/35/521510635.db2.gz OPSBBERZJWBURG-UHFFFAOYSA-N -1 1 289.291 2.598 20 5 CFBDMM Cc1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1O ZINC000340326048 524877156 /nfs/dbraw/zinc/87/71/56/524877156.db2.gz DGQWIRMITFOGGN-UHFFFAOYSA-N -1 1 295.682 2.843 20 5 CFBDMM O=C([N-]c1cccc(F)c1F)c1ccc([N+](=O)[O-])o1 ZINC000049388418 527355662 /nfs/dbraw/zinc/35/56/62/527355662.db2.gz GFEVQKHSTAPQJF-UHFFFAOYSA-N -1 1 268.175 2.718 20 5 CFBDMM CC(C)N(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000263567052 535039263 /nfs/dbraw/zinc/03/92/63/535039263.db2.gz GJFBKRAFLQSVNQ-UHFFFAOYSA-N -1 1 286.715 2.543 20 5 CFBDMM CCc1ocnc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000739490070 574215416 /nfs/dbraw/zinc/21/54/16/574215416.db2.gz PNXQBSNXCNFKSQ-UHFFFAOYSA-N -1 1 279.227 2.537 20 5 CFBDMM CCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(C)cc1 ZINC000918069576 624412453 /nfs/dbraw/zinc/41/24/53/624412453.db2.gz JNWVPFRJYBNGNP-UHFFFAOYSA-N -1 1 273.292 2.898 20 5 CFBDMM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000928249070 648888217 /nfs/dbraw/zinc/88/82/17/648888217.db2.gz ORJIBFUJEOGBNO-ZCFIWIBFSA-N -1 1 294.204 2.672 20 5 CFBDMM C[C@H]1CSCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000934297739 649769838 /nfs/dbraw/zinc/76/98/38/649769838.db2.gz KOFKPOVBAVQDRI-JTQLQIEISA-N -1 1 282.365 2.628 20 5 CFBDMM O=[N+]([O-])c1cc(Nc2cc(F)ncc2F)ccc1[O-] ZINC001210394643 770278435 /nfs/dbraw/zinc/27/84/35/770278435.db2.gz FCNJTEYCVJATMP-UHFFFAOYSA-N -1 1 267.191 2.717 20 5 CFBDMM CCCCC[C@H](CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144828 776409948 /nfs/dbraw/zinc/40/99/48/776409948.db2.gz WTBUFOCCDKDLHJ-VIFPVBQESA-N -1 1 269.301 2.828 20 5 CFBDMM O=[N+]([O-])c1ccc([O-])c(OC[C@@H]2Cc3ccccc3O2)c1 ZINC001229397218 776798944 /nfs/dbraw/zinc/79/89/44/776798944.db2.gz DNTYSSRKNYGLMK-LBPRGKRZSA-N -1 1 287.271 2.683 20 5 CFBDMM Cc1cc([O-])c(O[C@H](C)c2cncnc2)cc1[N+](=O)[O-] ZINC001229752981 776887678 /nfs/dbraw/zinc/88/76/78/776887678.db2.gz DXAWUAUMMWVSKK-SECBINFHSA-N -1 1 275.264 2.539 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)CC(C)C)n1 ZINC001231259095 777176966 /nfs/dbraw/zinc/17/69/66/777176966.db2.gz FQCNPUXQJDOWDL-VIFPVBQESA-N -1 1 254.286 2.817 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)C2CCC2)n1 ZINC001231259712 777179336 /nfs/dbraw/zinc/17/93/36/777179336.db2.gz PFQDKOLIDRNNDF-MRVPVSSYSA-N -1 1 252.270 2.571 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)C2CCCC2)n1 ZINC001231265159 777181589 /nfs/dbraw/zinc/18/15/89/777181589.db2.gz ZIPOQIDRZINLSQ-VIFPVBQESA-N -1 1 266.297 2.961 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCS3)no2)[n-]1 ZINC000274253083 348334706 /nfs/dbraw/zinc/33/47/06/348334706.db2.gz XGOXQLPSAGUUJA-SSDOTTSWSA-N -1 1 266.282 2.541 20 5 CFBDMM CCn1nc(C)c([N-]c2ncc([N+](=O)[O-])cc2F)c1C ZINC000413181732 233030958 /nfs/dbraw/zinc/03/09/58/233030958.db2.gz WUMHCTJSYLSUPJ-UHFFFAOYSA-N -1 1 279.275 2.706 20 5 CFBDMM O=C(Nc1ccncc1[O-])c1ccc([N+](=O)[O-])cc1Cl ZINC000109890430 186277924 /nfs/dbraw/zinc/27/79/24/186277924.db2.gz PNKZFCZPEFBVBR-UHFFFAOYSA-N -1 1 293.666 2.601 20 5 CFBDMM CC[C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000601400283 350730136 /nfs/dbraw/zinc/73/01/36/350730136.db2.gz XWSNNZXOZNARLD-SSDOTTSWSA-N -1 1 250.258 2.562 20 5 CFBDMM CCc1c(C)[n-]n(-c2cccc([N+](=O)[O-])c2C)c1=O ZINC000601939509 350809938 /nfs/dbraw/zinc/80/99/38/350809938.db2.gz LMIPJULKOOZADF-JTQLQIEISA-N -1 1 261.281 2.652 20 5 CFBDMM C[C@@H]1CCc2[n-]n(-c3ccc([N+](=O)[O-])cc3Cl)c(=O)c21 ZINC000601941512 350811169 /nfs/dbraw/zinc/81/11/69/350811169.db2.gz YMIAWWXDVQEZEI-KRTXAFLBSA-N -1 1 293.710 2.997 20 5 CFBDMM C[C@@H]1CCc2[n-]n(-c3ccc([N+](=O)[O-])cc3Cl)c(=O)c21 ZINC000601941510 350811266 /nfs/dbraw/zinc/81/12/66/350811266.db2.gz YMIAWWXDVQEZEI-JMCQJSRRSA-N -1 1 293.710 2.997 20 5 CFBDMM CCCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2F)c1=O ZINC000601942637 350811701 /nfs/dbraw/zinc/81/17/01/350811701.db2.gz LXQDPJLUNJMUGY-JTQLQIEISA-N -1 1 279.271 2.873 20 5 CFBDMM O=C(Nc1c([O-])cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000609851221 351523293 /nfs/dbraw/zinc/52/32/93/351523293.db2.gz VSZKXYTYUQEXPB-UHFFFAOYSA-N -1 1 276.223 2.692 20 5 CFBDMM CC(C)CCN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000611254207 351658001 /nfs/dbraw/zinc/65/80/01/351658001.db2.gz QLFWYKBXRIGQRN-UHFFFAOYSA-N -1 1 252.314 2.778 20 5 CFBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1cnoc1 ZINC000615193926 352165729 /nfs/dbraw/zinc/16/57/29/352165729.db2.gz GPGXSRVGAHWDDU-UHFFFAOYSA-N -1 1 281.655 2.797 20 5 CFBDMM Cc1ccc(NC(=O)c2ccccc2[O-])cc1[N+](=O)[O-] ZINC000011639196 371922437 /nfs/dbraw/zinc/92/24/37/371922437.db2.gz HJFCAUZLWLAJDE-UHFFFAOYSA-N -1 1 272.260 2.861 20 5 CFBDMM Cc1cscc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000335723443 379786930 /nfs/dbraw/zinc/78/69/30/379786930.db2.gz YPUFNNRMPJGJDR-UHFFFAOYSA-N -1 1 251.267 2.545 20 5 CFBDMM COc1cccc(F)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000184539617 381428100 /nfs/dbraw/zinc/42/81/00/381428100.db2.gz RYCCLBCXQLKOFS-UHFFFAOYSA-N -1 1 280.211 2.588 20 5 CFBDMM Cc1c(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000397021685 382632509 /nfs/dbraw/zinc/63/25/09/382632509.db2.gz RSPAUSCFKLVSKK-GXFFZTMASA-N -1 1 292.335 2.588 20 5 CFBDMM CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000337495297 382831795 /nfs/dbraw/zinc/83/17/95/382831795.db2.gz HZZWGKBEVUKKCY-UHFFFAOYSA-N -1 1 277.255 2.877 20 5 CFBDMM Cc1cccc2nc(-c3ccc([N+](=O)[O-])cc3)[n-]c(=O)c12 ZINC000339572034 383246715 /nfs/dbraw/zinc/24/67/15/383246715.db2.gz SCBCJNRJSOVFDK-UHFFFAOYSA-N -1 1 281.271 2.807 20 5 CFBDMM Cc1noc(C)c1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000340251625 383392424 /nfs/dbraw/zinc/39/24/24/383392424.db2.gz HFNOARBEMBNRGV-UHFFFAOYSA-N -1 1 267.266 2.513 20 5 CFBDMM CCC(CC)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000274103999 385719561 /nfs/dbraw/zinc/71/95/61/385719561.db2.gz ZNWYHNMURUJQID-UHFFFAOYSA-N -1 1 250.258 2.877 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)no2)[n-]1 ZINC000349844331 275034701 /nfs/dbraw/zinc/03/47/01/275034701.db2.gz QSJRYOBMJYKOIZ-UHFFFAOYSA-N -1 1 274.211 2.779 20 5 CFBDMM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000335721016 278686746 /nfs/dbraw/zinc/68/67/46/278686746.db2.gz IZGVHBICFVGFMS-SECBINFHSA-N -1 1 271.276 2.687 20 5 CFBDMM CC[C@@H](C)n1ncc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000361302337 522459146 /nfs/dbraw/zinc/45/91/46/522459146.db2.gz WJMPSVTWHVAYKH-MRVPVSSYSA-N -1 1 291.311 2.651 20 5 CFBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C ZINC000340428473 525240328 /nfs/dbraw/zinc/24/03/28/525240328.db2.gz 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641525204 /nfs/dbraw/zinc/52/52/04/641525204.db2.gz PAAPKTSVXRZKPD-JTQLQIEISA-N -1 1 285.662 2.699 20 5 CFBDMM O=c1cc[n-]c(O[C@H]2CCOc3ccccc32)c1[N+](=O)[O-] ZINC001225666711 775548945 /nfs/dbraw/zinc/54/89/45/775548945.db2.gz LEYWRILYZQAQQV-LBPRGKRZSA-N -1 1 288.259 2.598 20 5 CFBDMM CC1CCC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225667260 775549264 /nfs/dbraw/zinc/54/92/64/775549264.db2.gz QUOOKVQSVGJIRI-UHFFFAOYSA-N -1 1 252.270 2.653 20 5 CFBDMM CCCOC[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751164 776887306 /nfs/dbraw/zinc/88/73/06/776887306.db2.gz RJGNNHIFWWCZOF-JTQLQIEISA-N -1 1 269.297 2.803 20 5 CFBDMM Cc1cc([O-])c(O[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC001229754800 776889351 /nfs/dbraw/zinc/88/93/51/776889351.db2.gz RFOIQJJCVNJGBK-NXEZZACHSA-N -1 1 267.281 2.555 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCC[C@@H](C)C2)n1 ZINC001231260742 777179992 /nfs/dbraw/zinc/17/99/92/777179992.db2.gz WGMFWNVNHVABQV-SCZZXKLOSA-N -1 1 266.297 2.961 20 5 CFBDMM 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O=C(Nc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000540958751 281595396 /nfs/dbraw/zinc/59/53/96/281595396.db2.gz IISVLMKVYDPBDZ-UHFFFAOYSA-N -1 1 293.666 2.601 20 5 CFBDMM O=C(Nc1cccc([O-])c1F)c1csc([N+](=O)[O-])c1 ZINC000179153156 323735238 /nfs/dbraw/zinc/73/52/38/323735238.db2.gz YRABJOXISGCAMA-UHFFFAOYSA-N -1 1 282.252 2.753 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)o3)no2)[n-]1 ZINC000350919837 324283452 /nfs/dbraw/zinc/28/34/52/324283452.db2.gz XRWJEMUMWDKBHH-UHFFFAOYSA-N -1 1 280.627 2.886 20 5 CFBDMM O=C([O-])c1cccc(CNCc2ccccc2[N+](=O)[O-])c1 ZINC000213494046 598194044 /nfs/dbraw/zinc/19/40/44/598194044.db2.gz DTBUFJGUHQXIGK-UHFFFAOYSA-N -1 1 286.287 2.583 20 5 CFBDMM O=C([O-])[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000077253467 604784874 /nfs/dbraw/zinc/78/48/74/604784874.db2.gz HXEPBSLQSNQRFQ-SNVBAGLBSA-N -1 1 298.726 2.545 20 5 CFBDMM CCN(CCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964258 618054321 /nfs/dbraw/zinc/05/43/21/618054321.db2.gz UVTBVLZVEAEKAE-UHFFFAOYSA-N -1 1 286.715 2.545 20 5 CFBDMM O=[N+]([O-])c1c([N-]c2cnn(C3CCC3)c2)nc2ccccn21 ZINC000897103044 619933415 /nfs/dbraw/zinc/93/34/15/619933415.db2.gz OOCSTYXCGYKITL-UHFFFAOYSA-N -1 1 298.306 2.908 20 5 CFBDMM O=C(OCC1=CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000828938455 624335525 /nfs/dbraw/zinc/33/55/25/624335525.db2.gz LWYJQKPECYTNFJ-UHFFFAOYSA-N -1 1 263.249 2.568 20 5 CFBDMM CCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064240636 624391590 /nfs/dbraw/zinc/39/15/90/624391590.db2.gz JRDPKMDANMTRMF-UHFFFAOYSA-N -1 1 292.382 2.515 20 5 CFBDMM Cc1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769048700 627399118 /nfs/dbraw/zinc/39/91/18/627399118.db2.gz LWMMSLINNALXDO-UHFFFAOYSA-N -1 1 287.271 2.966 20 5 CFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccnc1 ZINC000780075061 628430484 /nfs/dbraw/zinc/43/04/84/628430484.db2.gz MCMFUHKKPBRNGG-VIFPVBQESA-N -1 1 288.259 2.613 20 5 CFBDMM Cc1cnc([C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC000780076517 628431057 /nfs/dbraw/zinc/43/10/57/628431057.db2.gz RBRIWARXOYLOBT-QMMMGPOBSA-N -1 1 292.247 2.515 20 5 CFBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ocnc1C1CC1 ZINC000808012227 630941790 /nfs/dbraw/zinc/94/17/90/630941790.db2.gz MAMAKGRMRSSSKT-UHFFFAOYSA-N -1 1 291.238 2.852 20 5 CFBDMM CC(=O)CCCCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000837582388 631075776 /nfs/dbraw/zinc/07/57/76/631075776.db2.gz GZXBQCVMNKMQJP-UHFFFAOYSA-N -1 1 295.291 2.607 20 5 CFBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225661089 775545514 /nfs/dbraw/zinc/54/55/14/775545514.db2.gz IVNNOWIVJUJUAY-VIFPVBQESA-N -1 1 260.249 2.835 20 5 CFBDMM COc1ccccc1[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225662280 775546927 /nfs/dbraw/zinc/54/69/27/775546927.db2.gz SDPHLWLTYVWWAV-VIFPVBQESA-N -1 1 290.275 2.844 20 5 CFBDMM COc1ccc([C@@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])cc1 ZINC001225665683 775549419 /nfs/dbraw/zinc/54/94/19/775549419.db2.gz DCASOHQMLHWBSN-SECBINFHSA-N -1 1 290.275 2.844 20 5 CFBDMM CCC[C@H]1CCCC[C@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228139338 776406796 /nfs/dbraw/zinc/40/67/96/776406796.db2.gz AJTKKYPXQRBYIY-VHSXEESVSA-N -1 1 281.312 2.828 20 5 CFBDMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141840 776406862 /nfs/dbraw/zinc/40/68/62/776406862.db2.gz VPJSIJATAWWFJO-MXWKQRLJSA-N -1 1 295.339 2.930 20 5 CFBDMM CCC[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])[C@@H](C)CC ZINC001228142622 776408667 /nfs/dbraw/zinc/40/86/67/776408667.db2.gz FYYYNEHJVWNMHZ-DTWKUNHWSA-N -1 1 269.301 2.684 20 5 CFBDMM O=c1[n-]cnc(O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001228141855 776408727 /nfs/dbraw/zinc/40/87/27/776408727.db2.gz VXQUKNVOZLSPPP-HBNTYKKESA-N -1 1 293.323 2.828 20 5 CFBDMM CC(C)[C@H]1CC[C@H](C)C[C@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144574 776409723 /nfs/dbraw/zinc/40/97/23/776409723.db2.gz VPJSIJATAWWFJO-HBNTYKKESA-N -1 1 295.339 2.930 20 5 CFBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CC=CC1 ZINC001228861597 776638135 /nfs/dbraw/zinc/63/81/35/776638135.db2.gz FUXHRHIATAJEJG-UHFFFAOYSA-N -1 1 290.197 2.812 20 5 CFBDMM Cc1nc(O[C@@H](C)c2ccccc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376945 776795891 /nfs/dbraw/zinc/79/58/91/776795891.db2.gz YDNBOYKYFXGGIB-ZETCQYMHSA-N -1 1 293.254 2.678 20 5 CFBDMM Cc1cc([O-])c(OC[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC001229751644 776887544 /nfs/dbraw/zinc/88/75/44/776887544.db2.gz XCONPXHGJGUGJM-UWVGGRQHSA-N -1 1 267.281 2.555 20 5 CFBDMM Cc1cc([O-])c(O[C@@H](C)c2cncnc2)cc1[N+](=O)[O-] ZINC001229752983 776888019 /nfs/dbraw/zinc/88/80/19/776888019.db2.gz DXAWUAUMMWVSKK-VIFPVBQESA-N -1 1 275.264 2.539 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2cccnc2)n1 ZINC001231261099 777179797 /nfs/dbraw/zinc/17/97/97/777179797.db2.gz YBHXBZZBGHKFAT-SECBINFHSA-N -1 1 275.264 2.539 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCC[C@@H](C)C2)n1 ZINC001231260741 777179901 /nfs/dbraw/zinc/17/99/01/777179901.db2.gz WGMFWNVNHVABQV-PSASIEDQSA-N -1 1 266.297 2.961 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCC(=O)CC2(C)C)n1 ZINC001231264401 777181069 /nfs/dbraw/zinc/18/10/69/777181069.db2.gz QJYAHAYTABRNGA-LLVKDONJSA-N -1 1 294.307 2.530 20 5 CFBDMM COC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233497853 777970605 /nfs/dbraw/zinc/97/06/05/777970605.db2.gz ISUBPGIFMUBJEQ-LURJTMIESA-N -1 1 285.687 2.538 20 5 CFBDMM CC(C)(C)CN(CC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000595886117 349760894 /nfs/dbraw/zinc/76/08/94/349760894.db2.gz MLTQJYOKWYWDTN-UHFFFAOYSA-N -1 1 298.314 2.667 20 5 CFBDMM Cc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000063447226 346700661 /nfs/dbraw/zinc/70/06/61/346700661.db2.gz SYIOUITUIOVEHQ-UHFFFAOYSA-N -1 1 281.293 2.822 20 5 CFBDMM Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)[n-]c(=O)c2c1 ZINC000077257353 347181590 /nfs/dbraw/zinc/18/15/90/347181590.db2.gz OGZFBHICZDRQFB-UHFFFAOYSA-N -1 1 281.271 2.807 20 5 CFBDMM CCOC[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093418871 347673704 /nfs/dbraw/zinc/67/37/04/347673704.db2.gz AESQCKAJTAEKIL-GFCCVEGCSA-N -1 1 294.351 2.549 20 5 CFBDMM O=C([O-])CC[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000086809239 179340303 /nfs/dbraw/zinc/34/03/03/179340303.db2.gz KLQQBMIDMPICRV-SNVBAGLBSA-N -1 1 298.364 2.733 20 5 CFBDMM O=C([O-])C[C@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000593290093 349242584 /nfs/dbraw/zinc/24/25/84/349242584.db2.gz CWOARSZUCFSDEM-SNVBAGLBSA-N -1 1 296.298 2.563 20 5 CFBDMM CCc1c(C)[n-]n(-c2cc([N+](=O)[O-])ccc2C)c1=O ZINC000601934779 350807679 /nfs/dbraw/zinc/80/76/79/350807679.db2.gz FNVDCNUPSMWGBS-LLVKDONJSA-N -1 1 261.281 2.652 20 5 CFBDMM C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330570799 378584876 /nfs/dbraw/zinc/58/48/76/378584876.db2.gz ISNMAAWJQOKEMF-SNVBAGLBSA-N -1 1 250.298 2.532 20 5 CFBDMM C[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330570798 378585366 /nfs/dbraw/zinc/58/53/66/378585366.db2.gz ISNMAAWJQOKEMF-JTQLQIEISA-N -1 1 250.298 2.532 20 5 CFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCc2cc(Cl)ccc21 ZINC000336615896 380554774 /nfs/dbraw/zinc/55/47/74/380554774.db2.gz PFZPWENHTJRBEM-UHFFFAOYSA-N -1 1 291.694 2.779 20 5 CFBDMM CSc1ccccc1[N-]C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000354562943 381340053 /nfs/dbraw/zinc/34/00/53/381340053.db2.gz QHFOOPQASCYOGK-UHFFFAOYSA-N -1 1 292.320 2.601 20 5 CFBDMM CCC(CC)(OC)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000290531676 381468176 /nfs/dbraw/zinc/46/81/76/381468176.db2.gz RFZSDLXYPXBTNI-UHFFFAOYSA-N -1 1 280.284 2.635 20 5 CFBDMM O=C(Nc1nccc2sccc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000359720132 381578546 /nfs/dbraw/zinc/57/85/46/381578546.db2.gz RWVRPUJQLWWBFK-UHFFFAOYSA-N -1 1 288.288 2.785 20 5 CFBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc(C2CC2)no1 ZINC000440721545 382878480 /nfs/dbraw/zinc/87/84/80/382878480.db2.gz IZLYZUQZQMZOGD-UHFFFAOYSA-N -1 1 291.238 2.852 20 5 CFBDMM CN(CCc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338925174 383087771 /nfs/dbraw/zinc/08/77/71/383087771.db2.gz YUWOLCGKOJFYGM-UHFFFAOYSA-N -1 1 286.331 2.975 20 5 CFBDMM CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340554640 383469612 /nfs/dbraw/zinc/46/96/12/383469612.db2.gz DTOYQJXQIMCDAE-UHFFFAOYSA-N -1 1 259.265 2.738 20 5 CFBDMM CCn1nc(C)c([N-]c2ncccc2[N+](=O)[O-])c1C ZINC000266284599 384136506 /nfs/dbraw/zinc/13/65/06/384136506.db2.gz VFBFFQOLYPMCOM-UHFFFAOYSA-N -1 1 261.285 2.567 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCCS3)no2)[n-]1 ZINC000274113550 385721273 /nfs/dbraw/zinc/72/12/73/385721273.db2.gz UJNLYYGCFBXHSQ-QMMMGPOBSA-N -1 1 280.309 2.931 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc(CCc3ccccc3)no2)[n-]1 ZINC000356072418 130372475 /nfs/dbraw/zinc/37/24/75/130372475.db2.gz HBZBCVLZLDARLO-UHFFFAOYSA-N -1 1 284.275 2.758 20 5 CFBDMM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(F)ccc1[O-] ZINC000437004770 394042845 /nfs/dbraw/zinc/04/28/45/394042845.db2.gz XAPBSVWBOGEZJM-UHFFFAOYSA-N -1 1 294.213 2.831 20 5 CFBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3Cc4ccccc43)no2)[n-]1 ZINC000545584270 394797339 /nfs/dbraw/zinc/79/73/39/394797339.db2.gz ZIGYJAMXKUQDQN-SNVBAGLBSA-N -1 1 282.259 2.661 20 5 CFBDMM Cn1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c21 ZINC000350204822 163065941 /nfs/dbraw/zinc/06/59/41/163065941.db2.gz FWQDNUJOATVWGG-UHFFFAOYSA-N -1 1 284.275 2.667 20 5 CFBDMM Cc1occc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000350441016 163082962 /nfs/dbraw/zinc/08/29/62/163082962.db2.gz SVZRLEOPPDAJLV-UHFFFAOYSA-N -1 1 260.209 2.541 20 5 CFBDMM CCc1ccnc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000350474109 163084922 /nfs/dbraw/zinc/08/49/22/163084922.db2.gz KZZIQZQECJJGSX-UHFFFAOYSA-N -1 1 285.263 2.597 20 5 CFBDMM Cc1nnc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000005756542 170137461 /nfs/dbraw/zinc/13/74/61/170137461.db2.gz ZTZOOQDLMKXTDF-UHFFFAOYSA-N -1 1 298.711 2.660 20 5 CFBDMM O=C(Nc1cc(F)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000174875216 323655440 /nfs/dbraw/zinc/65/54/40/323655440.db2.gz XAGFCKJAUCYBLB-UHFFFAOYSA-N -1 1 276.223 2.692 20 5 CFBDMM COC1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCCCC1 ZINC000351151397 324329743 /nfs/dbraw/zinc/32/97/43/324329743.db2.gz YZINDHLMCUEGET-UHFFFAOYSA-N -1 1 292.295 2.779 20 5 CFBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cscn1 ZINC000062661236 527130748 /nfs/dbraw/zinc/13/07/48/527130748.db2.gz UWBFQKXNFGUWBT-UHFFFAOYSA-N -1 1 285.231 2.582 20 5 CFBDMM C/C(=C/C(=O)Nc1ncccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000752772938 574395021 /nfs/dbraw/zinc/39/50/21/574395021.db2.gz QXLOABWPTYCAAP-KTKRTIGZSA-N -1 1 299.286 2.737 20 5 CFBDMM Cc1ccccc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769046617 627399186 /nfs/dbraw/zinc/39/91/86/627399186.db2.gz GOWOCWDHWKCICD-UHFFFAOYSA-N -1 1 287.271 2.966 20 5 CFBDMM Cc1nc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)co1 ZINC000808809836 631052347 /nfs/dbraw/zinc/05/23/47/631052347.db2.gz VQGVBGBAKMOTQP-UHFFFAOYSA-N -1 1 279.227 2.591 20 5 CFBDMM O=C(OCC1CC(F)(F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000837583939 631076894 /nfs/dbraw/zinc/07/68/94/631076894.db2.gz UPSXHDJFTOPMAL-UHFFFAOYSA-N -1 1 287.218 2.503 20 5 CFBDMM O=c1cc[n-]c(O[C@@H]2CCCc3cccnc32)c1[N+](=O)[O-] ZINC001225662243 775546615 /nfs/dbraw/zinc/54/66/15/775546615.db2.gz RVTGVIAXIUMGDX-LLVKDONJSA-N -1 1 287.275 2.547 20 5 CFBDMM C/C=C/[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC001228140637 776406493 /nfs/dbraw/zinc/40/64/93/776406493.db2.gz LHPHGIKHRBTARN-GSQGTZRGSA-N -1 1 293.323 2.994 20 5 CFBDMM CC[C@H](C)CC[C@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141076 776407341 /nfs/dbraw/zinc/40/73/41/776407341.db2.gz OYFYGNWPFFDIFC-IUCAKERBSA-N -1 1 269.301 2.684 20 5 CFBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1C=CCC1 ZINC001228860980 776638227 /nfs/dbraw/zinc/63/82/27/776638227.db2.gz ZAQXLTXDPVTTFS-ZCFIWIBFSA-N -1 1 290.197 2.812 20 5 CFBDMM Cc1nc(O[C@H](C)c2cccc(F)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376685 776795218 /nfs/dbraw/zinc/79/52/18/776795218.db2.gz WZPBXQIJLQIGET-SSDOTTSWSA-N -1 1 293.254 2.678 20 5 CFBDMM Cc1nc(O[C@@H](C)c2cccc(F)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376686 776795688 /nfs/dbraw/zinc/79/56/88/776795688.db2.gz WZPBXQIJLQIGET-ZETCQYMHSA-N -1 1 293.254 2.678 20 5 CFBDMM Cc1c([C@H](C)Oc2cc([N+](=O)[O-])c(C)cc2[O-])cnn1C ZINC001229751212 776888070 /nfs/dbraw/zinc/88/80/70/776888070.db2.gz SPMRVMPXUXZYLQ-JTQLQIEISA-N -1 1 291.307 2.791 20 5 CFBDMM C[C@@H]1CC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC001225666360 777155038 /nfs/dbraw/zinc/15/50/38/777155038.db2.gz HJWGPSUCMAYUQW-KXUCPTDWSA-N -1 1 266.297 2.899 20 5 CFBDMM C[C@@H]1CC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C[C@H]1C ZINC001225666362 777155079 /nfs/dbraw/zinc/15/50/79/777155079.db2.gz HJWGPSUCMAYUQW-OPRDCNLKSA-N -1 1 266.297 2.899 20 5 CFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)COC(C)(C)C)n1 ZINC001231259564 777179106 /nfs/dbraw/zinc/17/91/06/777179106.db2.gz OHMWJOXKSCLPDL-SECBINFHSA-N -1 1 284.312 2.586 20 5 CFBDMM C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000596051103 349781911 /nfs/dbraw/zinc/78/19/11/349781911.db2.gz LKVFYCQZJKIMFW-GFCCVEGCSA-N -1 1 292.335 2.771 20 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CCOc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000343319595 154174430 /nfs/dbraw/zinc/17/44/30/154174430.db2.gz OJXQYXSQEOQYCZ-UHFFFAOYSA-N -1 1 293.254 2.713 20 5 CFBDMM COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000355888634 155108455 /nfs/dbraw/zinc/10/84/55/155108455.db2.gz ATCKFDLNUGHRJH-UHFFFAOYSA-N -1 1 293.254 2.631 20 5 CFBDMM Cc1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000039973900 174180666 /nfs/dbraw/zinc/18/06/66/174180666.db2.gz KABFFRDIIRVYRS-UHFFFAOYSA-N -1 1 292.316 2.704 20 5 CFBDMM CC(C)c1nn(C)cc1[N-]c1ncccc1[N+](=O)[O-] ZINC000281068787 278096932 /nfs/dbraw/zinc/09/69/32/278096932.db2.gz ULOMMWSHAOOIQX-UHFFFAOYSA-N -1 1 261.285 2.590 20 5 CFBDMM CC[C@@H](CSC)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339062390 280155774 /nfs/dbraw/zinc/15/57/74/280155774.db2.gz DRRKQBDLNKBWSV-NSHDSACASA-N -1 1 284.381 2.874 20 5 CFBDMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])cn1 ZINC000533160144 281463050 /nfs/dbraw/zinc/46/30/50/281463050.db2.gz 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CC1(C)CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593739991 349318088 /nfs/dbraw/zinc/31/80/88/349318088.db2.gz FICRUVZZAQDIQQ-UHFFFAOYSA-N -1 1 292.335 2.915 20 5 CFBDMM CCc1c(C)[n-]n(-c2cc([N+](=O)[O-])ccc2C)c1=O ZINC000601934780 350807753 /nfs/dbraw/zinc/80/77/53/350807753.db2.gz FNVDCNUPSMWGBS-NSHDSACASA-N -1 1 261.281 2.652 20 5 CFBDMM Cc1[n-]n(-c2cccc([N+](=O)[O-])c2C)c(=O)c1C1CC1 ZINC000601938806 350810251 /nfs/dbraw/zinc/81/02/51/350810251.db2.gz JRPHKEJIAWLIBW-CYBMUJFWSA-N -1 1 273.292 2.652 20 5 CFBDMM CSC[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330444189 378557296 /nfs/dbraw/zinc/55/72/96/378557296.db2.gz GJOBZKCBSGQWBM-NSHDSACASA-N -1 1 296.392 2.875 20 5 CFBDMM Cc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000334271708 379010907 /nfs/dbraw/zinc/01/09/07/379010907.db2.gz HQAJIGZNIUOGIQ-UHFFFAOYSA-N -1 1 263.228 2.623 20 5 CFBDMM CCn1nc(C)c([N-]c2ncc([N+](=O)[O-])s2)c1C ZINC000192467340 382709302 /nfs/dbraw/zinc/70/93/02/382709302.db2.gz 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294269164 /nfs/dbraw/zinc/26/91/64/294269164.db2.gz GJNCMLAJXPZYDW-LLVKDONJSA-N -1 1 282.340 2.546 20 5 CFBDMM O=C([O-])[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000426793052 534516443 /nfs/dbraw/zinc/51/64/43/534516443.db2.gz OWHLFHSUQKIHQP-LBPRGKRZSA-N -1 1 292.316 2.572 20 5 CFBDMM COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340428589 524242048 /nfs/dbraw/zinc/24/20/48/524242048.db2.gz WKNNNMMUYKLPCY-UHFFFAOYSA-N -1 1 295.682 2.837 20 5 CFBDMM C[C@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000828028898 601931457 /nfs/dbraw/zinc/93/14/57/601931457.db2.gz HHFCGVDEYKKHNL-ZDUSSCGKSA-N -1 1 298.726 2.545 20 5 CFBDMM O=C([O-])C[C@H]1CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633509 618208881 /nfs/dbraw/zinc/20/88/81/618208881.db2.gz PSICKLIDMPTXQP-LLVKDONJSA-N -1 1 298.726 2.687 20 5 CFBDMM O=C([O-])C1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000901481050 620827192 /nfs/dbraw/zinc/82/71/92/620827192.db2.gz SCMGAXRFVMZABU-UHFFFAOYSA-N -1 1 298.726 2.545 20 5 CFBDMM CCC[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075309 628430454 /nfs/dbraw/zinc/43/04/54/628430454.db2.gz JVVLBDCTSQBJAL-QMMMGPOBSA-N -1 1 253.254 2.646 20 5 CFBDMM O=C(OC/C(Cl)=C/Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076536 628431064 /nfs/dbraw/zinc/43/10/64/628431064.db2.gz RHQRTIZTMHWESS-DAXSKMNVSA-N -1 1 292.074 2.776 20 5 CFBDMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000794850961 629694709 /nfs/dbraw/zinc/69/47/09/629694709.db2.gz JZSBXIIXTCHJLH-UWVGGRQHSA-N -1 1 298.314 2.931 20 5 CFBDMM C[C@@H](C(=O)[N-]OCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000817383404 632617866 /nfs/dbraw/zinc/61/78/66/632617866.db2.gz LRWLRBVBHJUMCE-SNVBAGLBSA-N -1 1 278.308 2.546 20 5 CFBDMM O=C([O-])[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000874044528 642325850 /nfs/dbraw/zinc/32/58/50/642325850.db2.gz DRQZPKVFAXDFKH-JTQLQIEISA-N -1 1 298.726 2.545 20 5 CFBDMM CC(C)C(Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(C)C ZINC001225665984 775548451 /nfs/dbraw/zinc/54/84/51/775548451.db2.gz 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