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ZINC000290315422 426739112 /nfs/dbraw/zinc/73/91/12/426739112.db2.gz HQHFIBXATOCOCO-OIBJUYFYSA-N 0 2 308.231 2.981 20 5 DFBDLN Cc1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1F ZINC000180464627 426861795 /nfs/dbraw/zinc/86/17/95/426861795.db2.gz QRQYPBHWFYZHFF-UHFFFAOYSA-N 0 2 310.306 2.843 20 5 DFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1csc(C2CC2)n1 ZINC000180774825 426887645 /nfs/dbraw/zinc/88/76/45/426887645.db2.gz YOFJHMAQGMSOIM-UHFFFAOYSA-N 0 2 305.315 2.887 20 5 DFBDLN Cc1cnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000182083313 427011952 /nfs/dbraw/zinc/01/19/52/427011952.db2.gz AQJNYWLRHJSDEH-QMMMGPOBSA-N 0 2 307.331 2.556 20 5 DFBDLN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1c(C)noc1C ZINC000182161715 427017994 /nfs/dbraw/zinc/01/79/94/427017994.db2.gz CNPWXYPKOJKWDU-GFCCVEGCSA-N 0 2 319.317 2.786 20 5 DFBDLN CC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000163616886 271090797 /nfs/dbraw/zinc/09/07/97/271090797.db2.gz KZOQQHAZOZVLMP-UHFFFAOYSA-N 0 2 315.285 2.511 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2cc(F)ccc21 ZINC000338345281 427269682 /nfs/dbraw/zinc/26/96/82/427269682.db2.gz DHYVFTPENUPCPA-UHFFFAOYSA-N 0 2 302.261 2.642 20 5 DFBDLN COc1ccc2c(c1)CCN2C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184715651 427524484 /nfs/dbraw/zinc/52/44/84/427524484.db2.gz UMMAABKEMFEWEF-UHFFFAOYSA-N 0 2 314.297 2.512 20 5 DFBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCc2c1cc(F)cc2F ZINC000185272629 427626818 /nfs/dbraw/zinc/62/68/18/427626818.db2.gz VSTZETWZBAPDNU-UHFFFAOYSA-N 0 2 320.251 2.782 20 5 DFBDLN C[C@H](Cc1cccs1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343273894 272110604 /nfs/dbraw/zinc/11/06/04/272110604.db2.gz NUCCHVYIIZAXRE-SECBINFHSA-N 0 2 306.343 2.723 20 5 DFBDLN O=C(N[C@@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000344676672 272354994 /nfs/dbraw/zinc/35/49/94/272354994.db2.gz HQGVZZFURPZJAP-LLVKDONJSA-N 0 2 316.338 2.877 20 5 DFBDLN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(O)cccc1F ZINC000185726738 427695271 /nfs/dbraw/zinc/69/52/71/427695271.db2.gz PPHKIQNPBOMWPI-UHFFFAOYSA-N 0 2 316.248 2.568 20 5 DFBDLN O=C(NCc1ccc(Cl)s1)c1cccc(O)c1[N+](=O)[O-] ZINC000341204477 428010905 /nfs/dbraw/zinc/01/09/05/428010905.db2.gz UHHNKHMPYFCVPH-UHFFFAOYSA-N 0 2 312.734 2.945 20 5 DFBDLN Cc1cc(C)n([C@H](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000356294535 428111282 /nfs/dbraw/zinc/11/12/82/428111282.db2.gz NPGQHIUIMDTNLR-LLVKDONJSA-N 0 2 318.333 2.704 20 5 DFBDLN CO[C@](C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000356320297 428122228 /nfs/dbraw/zinc/12/22/28/428122228.db2.gz KFYKKYHZWSTJRJ-INIZCTEOSA-N 0 2 316.313 2.801 20 5 DFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC(=O)c2ccccc21 ZINC000356412241 428165711 /nfs/dbraw/zinc/16/57/11/428165711.db2.gz RPZXVACBGDVEAG-GFCCVEGCSA-N 0 2 312.281 2.609 20 5 DFBDLN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1c1ccccc1 ZINC000356456908 428187476 /nfs/dbraw/zinc/18/74/76/428187476.db2.gz NKRZARLSJDRYLJ-CXAGYDPISA-N 0 2 312.325 2.976 20 5 DFBDLN CCCc1cnc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000346816834 428330625 /nfs/dbraw/zinc/33/06/25/428330625.db2.gz DUXPCECGLUUSME-UHFFFAOYSA-N 0 2 307.331 2.962 20 5 DFBDLN Cc1cc2n[nH]cc2cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000360451218 428304588 /nfs/dbraw/zinc/30/45/88/428304588.db2.gz CPLULCGFHKHAOA-UHFFFAOYSA-N 0 2 312.285 2.737 20 5 DFBDLN O=C(NCc1coc2ccccc12)c1cc(O)ccc1[N+](=O)[O-] ZINC000353063253 428374266 /nfs/dbraw/zinc/37/42/66/428374266.db2.gz LPPMCNQVNHTOFM-UHFFFAOYSA-N 0 2 312.281 2.977 20 5 DFBDLN CCCc1cnc(NC(=O)c2cccc(O)c2[N+](=O)[O-])s1 ZINC000343854306 428582500 /nfs/dbraw/zinc/58/25/00/428582500.db2.gz PJTSBVADRYALST-UHFFFAOYSA-N 0 2 307.331 2.962 20 5 DFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCSC[C@H]1C1CCC1 ZINC000416327806 428717826 /nfs/dbraw/zinc/71/78/26/428717826.db2.gz QOJAAFYQHJXCMG-LBPRGKRZSA-N 0 2 322.386 2.658 20 5 DFBDLN O=C(Nc1cccc(OCCF)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354085649 428855001 /nfs/dbraw/zinc/85/50/01/428855001.db2.gz XVBGKUFWVBQTSP-UHFFFAOYSA-N 0 2 320.276 2.901 20 5 DFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2c(F)cccc2C1 ZINC000354325239 428969307 /nfs/dbraw/zinc/96/93/07/428969307.db2.gz TYMCNCJNELSUQQ-UHFFFAOYSA-N 0 2 316.288 2.638 20 5 DFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC=C(c2ccco2)C1 ZINC000376037669 429044226 /nfs/dbraw/zinc/04/42/26/429044226.db2.gz QSNNNJAJDWEAOD-UHFFFAOYSA-N 0 2 314.297 2.823 20 5 DFBDLN COCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCC[C@H]1C ZINC000490328506 429286395 /nfs/dbraw/zinc/28/63/95/429286395.db2.gz SPZHCTBQFYGVBR-YPMHNXCESA-N 0 2 322.361 2.578 20 5 DFBDLN Cc1ncsc1/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000492665037 429589472 /nfs/dbraw/zinc/58/94/72/429589472.db2.gz YYYQQRLREFMXGP-PLNGDYQASA-N 0 2 305.315 2.717 20 5 DFBDLN O=C(NC1CCC(C(F)F)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000458178485 429594455 /nfs/dbraw/zinc/59/44/55/429594455.db2.gz JMKSAVQACKSFQX-UHFFFAOYSA-N 0 2 314.288 2.854 20 5 DFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000368617325 429878477 /nfs/dbraw/zinc/87/84/77/429878477.db2.gz 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297026201 /nfs/dbraw/zinc/02/62/01/297026201.db2.gz AORAFLWXDZRVSL-UHFFFAOYSA-N 0 2 317.301 2.735 20 5 DFBDLN C[C@H](CCc1ccco1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436753515 297031924 /nfs/dbraw/zinc/03/19/24/297031924.db2.gz VSHUBJRVHKUVFJ-SNVBAGLBSA-N 0 2 304.302 2.645 20 5 DFBDLN C[C@H]1CC(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000436710616 297027242 /nfs/dbraw/zinc/02/72/42/297027242.db2.gz WMPMVPJOLXSNOM-QWRGUYRKSA-N 0 2 322.361 2.624 20 5 DFBDLN Cc1cn2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])ccc2[nH+]1 ZINC000436776484 297033541 /nfs/dbraw/zinc/03/35/41/297033541.db2.gz JJDQUWMJBKWYIB-UHFFFAOYSA-N 0 2 312.285 2.509 20 5 DFBDLN O=C(NCCc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436872927 297041329 /nfs/dbraw/zinc/04/13/29/297041329.db2.gz XZRUUNDLEPEKLX-UHFFFAOYSA-N 0 2 322.267 2.551 20 5 DFBDLN O=C(Nc1scnc1C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436889050 297042057 /nfs/dbraw/zinc/04/20/57/297042057.db2.gz AJDFLNQCXQDGAY-UHFFFAOYSA-N 0 2 305.315 2.887 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000436903219 297043631 /nfs/dbraw/zinc/04/36/31/297043631.db2.gz VQIRLVJALYXWJP-QMMMGPOBSA-N 0 2 318.251 2.715 20 5 DFBDLN O=C(Nc1ccc(CO)c(Cl)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436921192 297044849 /nfs/dbraw/zinc/04/48/49/297044849.db2.gz UZQPPUQPABQIQX-UHFFFAOYSA-N 0 2 322.704 2.698 20 5 DFBDLN COC(=O)c1cnc(/C=C\c2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000436919171 297045002 /nfs/dbraw/zinc/04/50/02/297045002.db2.gz MIESPNCEVXQLPK-HYXAFXHYSA-N 0 2 306.299 2.714 20 5 DFBDLN COc1c(F)cc(F)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436975794 297049558 /nfs/dbraw/zinc/04/95/58/297049558.db2.gz MYJQVYYDROAQBY-UHFFFAOYSA-N 0 2 324.239 2.840 20 5 DFBDLN Cc1ccccc1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436945122 297046567 /nfs/dbraw/zinc/04/65/67/297046567.db2.gz MAFJOKWRFYUYJE-UHFFFAOYSA-N 0 2 300.314 2.581 20 5 DFBDLN COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436949635 297046980 /nfs/dbraw/zinc/04/69/80/297046980.db2.gz 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Cc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)c1 ZINC000346156163 428040202 /nfs/dbraw/zinc/04/02/02/428040202.db2.gz IEPKGEAOWDQOJC-UHFFFAOYSA-N 0 2 300.314 2.847 20 5 DFBDLN O=C(N[C@H]1CCCc2occc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000377630606 428175372 /nfs/dbraw/zinc/17/53/72/428175372.db2.gz FSLCVIJOKVCQOW-LBPRGKRZSA-N 0 2 302.286 2.701 20 5 DFBDLN C[C@]1(NC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000356460303 428190149 /nfs/dbraw/zinc/19/01/49/428190149.db2.gz RRDRGDNCNFOXDH-GUYCJALGSA-N 0 2 312.325 2.976 20 5 DFBDLN O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353312395 428480108 /nfs/dbraw/zinc/48/01/08/428480108.db2.gz WPVVSQSDUCPPBU-WFASDCNBSA-N 0 2 312.325 2.661 20 5 DFBDLN CC[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1c(C)noc1C ZINC000354326408 428969159 /nfs/dbraw/zinc/96/91/59/428969159.db2.gz BFTAXCHOVDXXRR-GFCCVEGCSA-N 0 2 319.317 2.786 20 5 DFBDLN CC[C@@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000355175195 429032622 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427013087 /nfs/dbraw/zinc/01/30/87/427013087.db2.gz OAIHKYYLFIHCAH-UHFFFAOYSA-N 0 2 323.736 2.565 20 5 DFBDLN Cc1cnc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000182083294 427013331 /nfs/dbraw/zinc/01/33/31/427013331.db2.gz AQJNYWLRHJSDEH-MRVPVSSYSA-N 0 2 307.331 2.556 20 5 DFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCc2ccc(F)cc2C1 ZINC000182137041 427015308 /nfs/dbraw/zinc/01/53/08/427015308.db2.gz PMRNGGKCUPDTPH-UHFFFAOYSA-N 0 2 316.288 2.638 20 5 DFBDLN CCC[C@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000182911798 427165377 /nfs/dbraw/zinc/16/53/77/427165377.db2.gz UJCLJBVIMUZYKN-JQWIXIFHSA-N 0 2 308.334 2.834 20 5 DFBDLN CC(C)[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2O)CC12CCC2 ZINC000293623488 427384418 /nfs/dbraw/zinc/38/44/18/427384418.db2.gz CHENLCUAQRNCBP-CQSZACIVSA-N 0 2 304.346 2.951 20 5 DFBDLN C[C@H](c1ccccn1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184710572 427524031 /nfs/dbraw/zinc/52/40/31/427524031.db2.gz XGAKBTBNNIGDIH-SNVBAGLBSA-N 0 2 301.302 2.529 20 5 DFBDLN 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426845066 /nfs/dbraw/zinc/84/50/66/426845066.db2.gz RDIFZRIRSMUOEN-VIFPVBQESA-N 0 2 316.317 2.720 20 5 DFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000182089557 427013223 /nfs/dbraw/zinc/01/32/23/427013223.db2.gz XSLAYGYZTHXJOU-GXTWGEPZSA-N 0 2 322.386 2.801 20 5 DFBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NOC/C=C/Cl ZINC000291935776 427033846 /nfs/dbraw/zinc/03/38/46/427033846.db2.gz VNALDPCONLTFEL-NOKZVFQSSA-N 0 2 316.766 2.876 20 5 DFBDLN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(C)C ZINC000121159916 271023630 /nfs/dbraw/zinc/02/36/30/271023630.db2.gz AVZSGVAMEGTTEU-UONOGXRCSA-N 0 2 322.361 2.576 20 5 DFBDLN Cc1cc(F)cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000155002479 271050051 /nfs/dbraw/zinc/05/00/51/271050051.db2.gz MFNLIPXTQWLFAB-UHFFFAOYSA-N 0 2 310.306 2.843 20 5 DFBDLN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2nn[nH]c2c1 ZINC000255107117 427239918 /nfs/dbraw/zinc/23/99/18/427239918.db2.gz IHUKOFQGDIXFBB-BAQGIRSFSA-N 0 2 309.285 2.518 20 5 DFBDLN 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DFBDLN Cc1nc2c(cccc2C(=O)Nc2cc([N+](=O)[O-])ccc2O)[nH]1 ZINC000338552927 427376823 /nfs/dbraw/zinc/37/68/23/427376823.db2.gz TYHPEPDDOIUXFM-UHFFFAOYSA-N 0 2 312.285 2.737 20 5 DFBDLN Cc1oc(C(C)C)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000285888935 427366021 /nfs/dbraw/zinc/36/60/21/427366021.db2.gz XGXFCJZDPUCPPV-UHFFFAOYSA-N 0 2 305.290 2.973 20 5 DFBDLN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2[nH]nnc2c1 ZINC000192713470 427591804 /nfs/dbraw/zinc/59/18/04/427591804.db2.gz PGFXZQBHHKGRIJ-UHFFFAOYSA-N 0 2 311.301 2.735 20 5 DFBDLN O=C(NCC1(C(F)(F)F)CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000343191832 272094825 /nfs/dbraw/zinc/09/48/25/272094825.db2.gz IQRPKLXZVJSFGJ-UHFFFAOYSA-N 0 2 318.251 2.763 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCc2ccccc2C1 ZINC000185549605 427672035 /nfs/dbraw/zinc/67/20/35/427672035.db2.gz KPVYVOCRUUCAAZ-UHFFFAOYSA-N 0 2 312.325 2.889 20 5 DFBDLN C[C@H](C1CC1)n1nccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185771440 427703073 /nfs/dbraw/zinc/70/30/73/427703073.db2.gz ODEBUTJMQZNVMA-SECBINFHSA-N 0 2 316.317 2.720 20 5 DFBDLN O=C(NCCc1cc(F)cc(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000336874386 427769452 /nfs/dbraw/zinc/76/94/52/427769452.db2.gz ZBYSOAFMSVJAMO-UHFFFAOYSA-N 0 2 322.267 2.551 20 5 DFBDLN CCc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cs1 ZINC000185928825 427731343 /nfs/dbraw/zinc/73/13/43/427731343.db2.gz NYOJJLUKWJLHNF-MRVPVSSYSA-N 0 2 321.358 2.810 20 5 DFBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1 ZINC000337171389 427809688 /nfs/dbraw/zinc/80/96/88/427809688.db2.gz FUYGAGNYFPYLFW-UHFFFAOYSA-N 0 2 322.342 2.794 20 5 DFBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cccs2)c1 ZINC000355841890 427916938 /nfs/dbraw/zinc/91/69/38/427916938.db2.gz KBQJSOKAWYMRSU-UHFFFAOYSA-N 0 2 302.308 2.596 20 5 DFBDLN Cc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cn1 ZINC000350638421 427961538 /nfs/dbraw/zinc/96/15/38/427961538.db2.gz XHFZYCCGEJWVJD-UHFFFAOYSA-N 0 2 312.285 2.645 20 5 DFBDLN Cc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1F ZINC000346037983 427995021 /nfs/dbraw/zinc/99/50/21/427995021.db2.gz ZCRQYKOZZWJJOW-UHFFFAOYSA-N 0 2 304.277 2.678 20 5 DFBDLN O=[N+]([O-])c1ccc(-c2nc(CC3CC(F)(F)C3)no2)cc1O ZINC000351171485 428026901 /nfs/dbraw/zinc/02/69/01/428026901.db2.gz SNTUCSPIXZMRSI-UHFFFAOYSA-N 0 2 311.244 2.938 20 5 DFBDLN O=C(NCCc1c(F)cccc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000346231856 428083806 /nfs/dbraw/zinc/08/38/06/428083806.db2.gz UQNJJPHXVLWGQK-UHFFFAOYSA-N 0 2 322.267 2.551 20 5 DFBDLN COc1ccc2c(c1)CCN2C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346334324 428130976 /nfs/dbraw/zinc/13/09/76/428130976.db2.gz OAZVQYVZHAHKIC-UHFFFAOYSA-N 0 2 314.297 2.512 20 5 DFBDLN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1c1ccccc1 ZINC000356456918 428187877 /nfs/dbraw/zinc/18/78/77/428187877.db2.gz NKRZARLSJDRYLJ-GUYCJALGSA-N 0 2 312.325 2.976 20 5 DFBDLN Cc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1)OCO2 ZINC000358233409 428590442 /nfs/dbraw/zinc/59/04/42/428590442.db2.gz WWCCZJYAJQMOCT-UHFFFAOYSA-N 0 2 316.269 2.590 20 5 DFBDLN CCc1cnccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000359338337 428926750 /nfs/dbraw/zinc/92/67/50/428926750.db2.gz IMIKGIOMCQYLCJ-SNVBAGLBSA-N 0 2 315.329 2.749 20 5 DFBDLN Cn1cc(-c2ccnc(/C=C\c3ccc([N+](=O)[O-])c(O)c3)n2)cn1 ZINC000354271705 428949165 /nfs/dbraw/zinc/94/91/65/428949165.db2.gz MKESAKHEMWOLDF-HYXAFXHYSA-N 0 2 323.312 2.661 20 5 DFBDLN CC1(CC(F)(F)F)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000457125160 429406911 /nfs/dbraw/zinc/40/69/11/429406911.db2.gz TUKDDSLZPNHUND-UHFFFAOYSA-N 0 2 318.251 2.715 20 5 DFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000367217649 429599197 /nfs/dbraw/zinc/59/91/97/429599197.db2.gz OKKIRUDGOZLDBD-MPEURRAXSA-N 0 2 316.357 2.951 20 5 DFBDLN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000368643880 429881761 /nfs/dbraw/zinc/88/17/61/429881761.db2.gz BLBLWEPEMQKVEA-XPTSAGLGSA-N 0 2 314.297 2.552 20 5 DFBDLN O=C([O-])CC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000580896462 430160786 /nfs/dbraw/zinc/16/07/86/430160786.db2.gz XDSQOOHKKQFKET-UHFFFAOYSA-N 0 2 315.329 2.834 20 5 DFBDLN C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)C(=O)[O-] ZINC000581887652 430249163 /nfs/dbraw/zinc/24/91/63/430249163.db2.gz YVKHGHALRCQNHQ-QLJPJBMISA-N 0 2 315.329 2.690 20 5 DFBDLN O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000542791461 430225080 /nfs/dbraw/zinc/22/50/80/430225080.db2.gz JPLQLSXGWITONU-UHFFFAOYSA-N 0 2 324.296 2.943 20 5 DFBDLN COCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[C@H](C)C1 ZINC000436595961 297016859 /nfs/dbraw/zinc/01/68/59/297016859.db2.gz OMMMKZMMRDPOJH-NWDGAFQWSA-N 0 2 322.361 2.578 20 5 DFBDLN CC(C)Oc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccn1 ZINC000436618620 297018496 /nfs/dbraw/zinc/01/84/96/297018496.db2.gz LZXKDTBXHZIRQR-UHFFFAOYSA-N 0 2 317.301 2.735 20 5 DFBDLN C[C@@H](Cc1ccccc1F)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436670775 297023362 /nfs/dbraw/zinc/02/33/62/297023362.db2.gz HLCMRKCRRXLKMS-JTQLQIEISA-N 0 2 318.304 2.801 20 5 DFBDLN CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436674582 297024167 /nfs/dbraw/zinc/02/41/67/297024167.db2.gz QOOODQQSGOJOQH-UHFFFAOYSA-N 0 2 316.313 2.629 20 5 DFBDLN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000436749105 297031443 /nfs/dbraw/zinc/03/14/43/297031443.db2.gz AEAOHZMRPBKUKC-LLVKDONJSA-N 0 2 300.314 2.834 20 5 DFBDLN CC(=O)c1ccc(O)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000436863364 297040988 /nfs/dbraw/zinc/04/09/88/297040988.db2.gz TUMNMBMJIJKSEZ-UHFFFAOYSA-N 0 2 300.270 2.755 20 5 DFBDLN CCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436883347 297042079 /nfs/dbraw/zinc/04/20/79/297042079.db2.gz DNYUUNMBWKUCMW-UHFFFAOYSA-N 0 2 322.346 2.747 20 5 DFBDLN CS[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C(C)(C)C ZINC000436916936 297044359 /nfs/dbraw/zinc/04/43/59/297044359.db2.gz BRKYKFKDOMTMQX-LBPRGKRZSA-N 0 2 312.391 2.808 20 5 DFBDLN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436939630 297046297 /nfs/dbraw/zinc/04/62/97/297046297.db2.gz PLAFKKTZAYKIBF-VFZGTOFNSA-N 0 2 314.297 2.552 20 5 DFBDLN Cc1cc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)on1 ZINC000436954511 297047504 /nfs/dbraw/zinc/04/75/04/297047504.db2.gz WNQDPFOMHRBBCM-GFCCVEGCSA-N 0 2 317.301 2.574 20 5 DFBDLN O=C(NCc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436954629 297047819 /nfs/dbraw/zinc/04/78/19/297047819.db2.gz HXOOGISYCATOLI-UHFFFAOYSA-N 0 2 308.240 2.509 20 5 DFBDLN Cc1cccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436957590 297047853 /nfs/dbraw/zinc/04/78/53/297047853.db2.gz YPKJYGMSHQDCFI-UHFFFAOYSA-N 0 2 300.314 2.881 20 5 DFBDLN CSc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)nc1 ZINC000436962559 297048180 /nfs/dbraw/zinc/04/81/80/297048180.db2.gz CADJBVFAWSAHCV-UHFFFAOYSA-N 0 2 305.315 2.670 20 5 DFBDLN O=C(NCC(F)(F)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000436981668 297049768 /nfs/dbraw/zinc/04/97/68/297049768.db2.gz ROUQNZSIASHALF-UHFFFAOYSA-N 0 2 322.267 2.822 20 5 DFBDLN O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436990007 297050870 /nfs/dbraw/zinc/05/08/70/297050870.db2.gz NWCWDBCKMHYMLA-SWLSCSKDSA-N 0 2 312.325 2.661 20 5 DFBDLN CO[C@@]1(C)C[C@H](N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])C1(C)C ZINC000332447949 294157835 /nfs/dbraw/zinc/15/78/35/294157835.db2.gz MPIULMUSYMCYHL-LRDDRELGSA-N 0 2 322.361 2.576 20 5 DFBDLN COC(=O)c1cnc(/C=C/c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000157296134 295346986 /nfs/dbraw/zinc/34/69/86/295346986.db2.gz ZKWCJBOPJHNQCU-GORDUTHDSA-N 0 2 306.299 2.714 20 5 DFBDLN CCc1nc(C(C)(C)NCc2cc([N+](=O)[O-])ccc2OC)no1 ZINC000441228363 297176524 /nfs/dbraw/zinc/17/65/24/297176524.db2.gz JSKUYKJPDDLXDA-UHFFFAOYSA-N 0 2 320.349 2.574 20 5 DFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456259502 298482799 /nfs/dbraw/zinc/48/27/99/298482799.db2.gz RKUMCEWJFSEQBT-UKRRQHHQSA-N 0 2 302.330 2.561 20 5 DFBDLN C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)C1 ZINC000120744671 300050056 /nfs/dbraw/zinc/05/00/56/300050056.db2.gz ILBODCVXSHPSSX-MEDUHNTESA-N 0 2 304.346 2.953 20 5 DFBDLN O=C(NCc1cc2ccccc2o1)c1cc([N+](=O)[O-])ccc1O ZINC000539928233 301354206 /nfs/dbraw/zinc/35/42/06/301354206.db2.gz ADZWOYOCNGJPSO-UHFFFAOYSA-N 0 2 312.281 2.977 20 5 DFBDLN Cc1ccc(CCNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)[nH+]c1 ZINC000563889339 302106337 /nfs/dbraw/zinc/10/63/37/302106337.db2.gz RQZZKFVPSBDNMP-UHFFFAOYSA-N 0 2 315.329 2.959 20 5 DFBDLN O=C(N[C@@H]1CCOc2ccccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000373825823 303885699 /nfs/dbraw/zinc/88/56/99/303885699.db2.gz LBRCABIXFIUKDS-GFCCVEGCSA-N 0 2 314.297 2.554 20 5 DFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1OCCc2ccccc21 ZINC000166197896 315890504 /nfs/dbraw/zinc/89/05/04/315890504.db2.gz SCAMRGWBNPSMGM-HNNXBMFYSA-N 0 2 314.297 2.553 20 5 DFBDLN Cc1ccc(CC[C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])o1 ZINC000353502714 316524439 /nfs/dbraw/zinc/52/44/39/316524439.db2.gz GRXIPMMLSWASLE-SNVBAGLBSA-N 0 2 318.329 2.953 20 5 DFBDLN O=C(NCC(F)(F)c1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000427097489 316832214 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20 5 DFBDLN CC(C)c1ccc(C[N@H+]2CC[C@](F)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000833509802 604683278 /nfs/dbraw/zinc/68/32/78/604683278.db2.gz GDQNPNHJCCQCRC-OAHLLOKOSA-N 0 2 310.325 2.717 20 5 DFBDLN CN(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(F)c1 ZINC000092545964 185325188 /nfs/dbraw/zinc/32/51/88/185325188.db2.gz UXRYCGKOOOJQAY-UHFFFAOYSA-N 0 2 319.292 2.758 20 5 DFBDLN CCc1noc(CC)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547112 185325236 /nfs/dbraw/zinc/32/52/36/185325236.db2.gz OXWAEYYBNDRCOM-UHFFFAOYSA-N 0 2 319.317 2.594 20 5 DFBDLN O=C([O-])c1ccc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH+]c1 ZINC000592426610 398424193 /nfs/dbraw/zinc/42/41/93/398424193.db2.gz IABVVHCWXLRLCQ-UHFFFAOYSA-N 0 2 313.313 2.857 20 5 DFBDLN C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586787050 398459437 /nfs/dbraw/zinc/45/94/37/398459437.db2.gz FENDGAVWLMKKPB-NVXWUHKLSA-N 0 2 312.325 2.760 20 5 DFBDLN CC(C)(C)c1nsc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000069536545 398575682 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299362662 /nfs/dbraw/zinc/36/26/62/299362662.db2.gz XROYUWHYYBUPMP-UHFFFAOYSA-N 0 2 306.391 2.820 20 5 DFBDLN O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000613866303 399104279 /nfs/dbraw/zinc/10/42/79/399104279.db2.gz RPYSHLNPTTUCIH-UHFFFAOYSA-N 0 2 324.296 2.943 20 5 DFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(Cc2cccs2)C1 ZINC000600762870 399138546 /nfs/dbraw/zinc/13/85/46/399138546.db2.gz ZQVRRPMGKWINLU-UHFFFAOYSA-N 0 2 318.354 2.677 20 5 DFBDLN O=C(NCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000017118174 182075966 /nfs/dbraw/zinc/07/59/66/182075966.db2.gz ZDNJQRKYHBLHFW-UHFFFAOYSA-N 0 2 306.705 2.884 20 5 DFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@H](C2CCCC2)C1 ZINC000421940909 296282696 /nfs/dbraw/zinc/28/26/96/296282696.db2.gz BCLKNNKHCAKEJI-LBPRGKRZSA-N 0 2 304.346 2.953 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](C2CCCC2)C1 ZINC000421947336 296283316 /nfs/dbraw/zinc/28/33/16/296283316.db2.gz JLMQKOQKKMGHDM-LBPRGKRZSA-N 0 2 304.346 2.953 20 5 DFBDLN 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CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000153947463 426414611 /nfs/dbraw/zinc/41/46/11/426414611.db2.gz KYNKUINDWMWKDD-UHFFFAOYSA-N 0 2 300.314 2.963 20 5 DFBDLN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1F ZINC000154023538 426420271 /nfs/dbraw/zinc/42/02/71/426420271.db2.gz CTEAUQIPWGJNJY-UHFFFAOYSA-N 0 2 306.249 2.700 20 5 DFBDLN O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000097676408 426472272 /nfs/dbraw/zinc/47/22/72/426472272.db2.gz QAFXLDNLRNYONG-CYBMUJFWSA-N 0 2 316.288 2.857 20 5 DFBDLN O=C(NC1(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000186256889 426497743 /nfs/dbraw/zinc/49/77/43/426497743.db2.gz XOPFVFFYJFECDK-UHFFFAOYSA-N 0 2 312.325 2.806 20 5 DFBDLN Cc1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nc1 ZINC000178420063 426625911 /nfs/dbraw/zinc/62/59/11/426625911.db2.gz PXNROHATRGROLZ-UHFFFAOYSA-N 0 2 321.358 2.716 20 5 DFBDLN Cc1cnc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000187767664 426692567 /nfs/dbraw/zinc/69/25/67/426692567.db2.gz 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O=C(c1cccc(O)c1[N+](=O)[O-])N1CCc2cc(F)ccc2C1 ZINC000339353398 268796175 /nfs/dbraw/zinc/79/61/75/268796175.db2.gz WPBNVWQJRDKCDV-UHFFFAOYSA-N 0 2 316.288 2.638 20 5 DFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1O ZINC000080932288 426217247 /nfs/dbraw/zinc/21/72/47/426217247.db2.gz QXIGTWGBZLOCOW-UHFFFAOYSA-N 0 2 322.342 2.664 20 5 DFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1-n1cccn1 ZINC000089531789 426295228 /nfs/dbraw/zinc/29/52/28/426295228.db2.gz INNOLFADNIGQLW-UHFFFAOYSA-N 0 2 324.296 2.738 20 5 DFBDLN O=C(C=Cc1ccccc1[N+](=O)[O-])Nc1ccc2nn[nH]c2c1 ZINC000175823759 426330894 /nfs/dbraw/zinc/33/08/94/426330894.db2.gz XJIKUQRZLWGBJV-VMPITWQZSA-N 0 2 309.285 2.518 20 5 DFBDLN O=C(NC1(C(F)F)CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000341138155 269046123 /nfs/dbraw/zinc/04/61/23/269046123.db2.gz PYTPVQJVJZGUCO-UHFFFAOYSA-N 0 2 314.288 2.998 20 5 DFBDLN O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000097676409 426472826 /nfs/dbraw/zinc/47/28/26/426472826.db2.gz 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426841909 /nfs/dbraw/zinc/84/19/09/426841909.db2.gz XWLAHMHLJBNNMJ-SECBINFHSA-N 0 2 316.317 2.720 20 5 DFBDLN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(C)C ZINC000121160101 271024262 /nfs/dbraw/zinc/02/42/62/271024262.db2.gz AVZSGVAMEGTTEU-KBPBESRZSA-N 0 2 322.361 2.576 20 5 DFBDLN COc1c(F)cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1F ZINC000164309563 271092285 /nfs/dbraw/zinc/09/22/85/271092285.db2.gz QASIIPYQYFZNPY-UHFFFAOYSA-N 0 2 324.239 2.840 20 5 DFBDLN O=C(Nc1cnn(-c2ccccc2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164390521 271092665 /nfs/dbraw/zinc/09/26/65/271092665.db2.gz AORHTTQYCPAMDJ-UHFFFAOYSA-N 0 2 324.296 2.738 20 5 DFBDLN CCC[C@H]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000182911760 427166884 /nfs/dbraw/zinc/16/68/84/427166884.db2.gz UJCLJBVIMUZYKN-PWSUYJOCSA-N 0 2 308.334 2.834 20 5 DFBDLN COCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183410595 427263185 /nfs/dbraw/zinc/26/31/85/427263185.db2.gz ZSHUMEFXFWEZCN-UHFFFAOYSA-N 0 2 302.286 2.699 20 5 DFBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1C(C)(C)C ZINC000183911874 427357022 /nfs/dbraw/zinc/35/70/22/427357022.db2.gz LPXORKDHOVCMEW-UHFFFAOYSA-N 0 2 318.333 2.813 20 5 DFBDLN Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183909952 427357653 /nfs/dbraw/zinc/35/76/53/427357653.db2.gz QYWSQWMWPCRZMP-ZETCQYMHSA-N 0 2 305.290 2.647 20 5 DFBDLN O=C(Nc1n[nH]c(C2CCC2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000184555445 427486409 /nfs/dbraw/zinc/48/64/09/427486409.db2.gz MCGFHBRQOARTDI-UHFFFAOYSA-N 0 2 321.724 2.886 20 5 DFBDLN O=C([C@H](F)C(F)(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000278947120 427509542 /nfs/dbraw/zinc/50/95/42/427509542.db2.gz VFVAOADNZYHJLG-NSHDSACASA-N 0 2 320.242 2.986 20 5 DFBDLN O=C(C(F)C(F)(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000278947120 427509548 /nfs/dbraw/zinc/50/95/48/427509548.db2.gz VFVAOADNZYHJLG-NSHDSACASA-N 0 2 320.242 2.986 20 5 DFBDLN O=C(Nc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184703564 427521525 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O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@@H]1C(F)F ZINC000337601539 427975089 /nfs/dbraw/zinc/97/50/89/427975089.db2.gz SDLPHIOLLLXVEW-SNVBAGLBSA-N 0 2 300.261 2.560 20 5 DFBDLN O=C(NC1(C(F)F)CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000341101727 427989875 /nfs/dbraw/zinc/98/98/75/427989875.db2.gz MFXRLTXHNGZGMP-UHFFFAOYSA-N 0 2 314.288 2.998 20 5 DFBDLN CC[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000346349214 428137416 /nfs/dbraw/zinc/13/74/16/428137416.db2.gz CLFVYZWQKNNUPK-NSHDSACASA-N 0 2 321.358 2.946 20 5 DFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nc2cccnc2s1 ZINC000346818025 428329948 /nfs/dbraw/zinc/32/99/48/428329948.db2.gz CIMWKPQNWACLHG-UHFFFAOYSA-N 0 2 316.298 2.557 20 5 DFBDLN O=C(N[C@H]1CSc2ccccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000352973787 428333387 /nfs/dbraw/zinc/33/33/87/428333387.db2.gz BOQGMKOGUKLJKR-LBPRGKRZSA-N 0 2 316.338 2.877 20 5 DFBDLN O=C(N[C@@H]1CCc2cc(F)ccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000343154495 428527479 /nfs/dbraw/zinc/52/74/79/428527479.db2.gz QZGJUWMCOUQFRS-CYBMUJFWSA-N 0 2 316.288 2.857 20 5 DFBDLN O=C(NC[C@@H]1CCCCC1(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000391060294 428477635 /nfs/dbraw/zinc/47/76/35/428477635.db2.gz ZQECTOAXMCBDOA-VIFPVBQESA-N 0 2 314.288 2.856 20 5 DFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H]1Cc1ccccc1 ZINC000353657174 428645192 /nfs/dbraw/zinc/64/51/92/428645192.db2.gz UFOXOVCTZWUFQH-CYBMUJFWSA-N 0 2 312.325 2.758 20 5 DFBDLN O=C(N[C@@H]1CCCc2occc21)c1cccc(O)c1[N+](=O)[O-] ZINC000373917165 428653681 /nfs/dbraw/zinc/65/36/81/428653681.db2.gz VFFGAYRITMJOER-LLVKDONJSA-N 0 2 302.286 2.701 20 5 DFBDLN CC(C)(C)[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000354376063 428978319 /nfs/dbraw/zinc/97/83/19/428978319.db2.gz BONRZVCXZKEECL-YGRLFVJLSA-N 0 2 322.361 2.624 20 5 DFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCS[C@H]2CCCC[C@@H]21 ZINC000376061990 429050930 /nfs/dbraw/zinc/05/09/30/429050930.db2.gz NITQISGCDYALTB-KBPBESRZSA-N 0 2 322.386 2.801 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC=C(c2ccco2)C1 ZINC000367642473 429692664 /nfs/dbraw/zinc/69/26/64/429692664.db2.gz INXNQOIEUJJZQE-UHFFFAOYSA-N 0 2 314.297 2.823 20 5 DFBDLN C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000368643879 429881447 /nfs/dbraw/zinc/88/14/47/429881447.db2.gz BLBLWEPEMQKVEA-OTYXRUKQSA-N 0 2 314.297 2.552 20 5 DFBDLN C[C@@H](c1ccccc1)n1ccc(Nc2ncccc2[N+](=O)[O-])n1 ZINC000610735287 430566285 /nfs/dbraw/zinc/56/62/85/430566285.db2.gz UMTRIZKZGBNNPW-LBPRGKRZSA-N 0 2 309.329 3.539 20 5 DFBDLN Cc1oc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000572168675 430674904 /nfs/dbraw/zinc/67/49/04/430674904.db2.gz HHZYYZOPNGTXSI-UHFFFAOYSA-N 0 2 310.331 2.888 20 5 DFBDLN Cc1oc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000572168675 430674905 /nfs/dbraw/zinc/67/49/05/430674905.db2.gz HHZYYZOPNGTXSI-UHFFFAOYSA-N 0 2 310.331 2.888 20 5 DFBDLN CN(Cc1c(F)cccc1F)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436667660 297022997 /nfs/dbraw/zinc/02/29/97/297022997.db2.gz UQAJXNHKCTVZKB-UHFFFAOYSA-N 0 2 322.267 2.851 20 5 DFBDLN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436775603 297033394 /nfs/dbraw/zinc/03/33/94/297033394.db2.gz QSPTXNPHWSLIKH-BJOHPYRUSA-N 0 2 314.297 2.552 20 5 DFBDLN CC(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000436864075 297041047 /nfs/dbraw/zinc/04/10/47/297041047.db2.gz XKTDWBDSFFLYAQ-UHFFFAOYSA-N 0 2 318.260 2.894 20 5 DFBDLN Cc1cc(N(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436871474 297041250 /nfs/dbraw/zinc/04/12/50/297041250.db2.gz UDGFTSUJUVIVJS-UHFFFAOYSA-N 0 2 315.329 2.927 20 5 DFBDLN COc1cc(C)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436886820 297042211 /nfs/dbraw/zinc/04/22/11/297042211.db2.gz LVKSSTUDSTWNHG-UHFFFAOYSA-N 0 2 316.313 2.547 20 5 DFBDLN CC(C)(C)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000436896827 297043085 /nfs/dbraw/zinc/04/30/85/297043085.db2.gz OFNTWTVBTAPEQQ-YGRLFVJLSA-N 0 2 322.361 2.624 20 5 DFBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc2n[nH]cc21 ZINC000436895709 297043117 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O=C(NCCc1ccc(F)c(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552476631 301693537 /nfs/dbraw/zinc/69/35/37/301693537.db2.gz CHUOVGQQLSBGLD-UHFFFAOYSA-N 0 2 322.267 2.551 20 5 DFBDLN Cc1cc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000182764813 316117393 /nfs/dbraw/zinc/11/73/93/316117393.db2.gz AKVMVNRXCILKBG-UHFFFAOYSA-N 0 2 310.331 2.914 20 5 DFBDLN CC[C@H](OC1CCCC1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183904109 316154715 /nfs/dbraw/zinc/15/47/15/316154715.db2.gz QCWPDBWKKLIZAP-AWEZNQCLSA-N 0 2 308.334 2.977 20 5 DFBDLN CCCc1ncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000183907561 316155136 /nfs/dbraw/zinc/15/51/36/316155136.db2.gz LMHHSOSEIZTUFC-UHFFFAOYSA-N 0 2 307.331 2.962 20 5 DFBDLN CCc1cccnc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000443405640 316954667 /nfs/dbraw/zinc/95/46/67/316954667.db2.gz BQLCSJIUOIZXDJ-UHFFFAOYSA-N 0 2 321.358 2.661 20 5 DFBDLN C[C@@]12CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452587445 317134058 /nfs/dbraw/zinc/13/40/58/317134058.db2.gz DEHQUEUSESNWNL-VYTXNUKWSA-N 0 2 314.341 2.585 20 5 DFBDLN Cc1cc(N2CCCC[C@H]2c2n[nH]c(=O)[nH]2)c(F)cc1[N+](=O)[O-] ZINC000581498877 323532263 /nfs/dbraw/zinc/53/22/63/323532263.db2.gz MLJZJNOEDHOPQO-JTQLQIEISA-N 0 2 321.312 2.598 20 5 DFBDLN CC(C)(C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n[nH]1 ZINC000089531600 398456865 /nfs/dbraw/zinc/45/68/65/398456865.db2.gz SGJYIYCRTIIXHR-UHFFFAOYSA-N 0 2 304.306 2.573 20 5 DFBDLN CC(C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000586796830 398460957 /nfs/dbraw/zinc/46/09/57/398460957.db2.gz HOXRBPRVSVZIOZ-CQSZACIVSA-N 0 2 322.361 2.626 20 5 DFBDLN O=C(NCCc1cccc([N+](=O)[O-])c1)c1c(O)cc(F)cc1F ZINC000089912541 398469659 /nfs/dbraw/zinc/46/96/59/398469659.db2.gz NWKCSRYVCKOZBZ-UHFFFAOYSA-N 0 2 322.267 2.551 20 5 DFBDLN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)CC(F)(F)F ZINC000413975367 295753820 /nfs/dbraw/zinc/75/38/20/295753820.db2.gz GGXZJPCOIVNCKP-SSDOTTSWSA-N 0 2 306.240 2.619 20 5 DFBDLN C[C@H]1CCC[C@@H](OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000089531888 282655498 /nfs/dbraw/zinc/65/54/98/282655498.db2.gz AYSMVSRLWTZMDU-CMPLNLGQSA-N 0 2 308.334 2.834 20 5 DFBDLN O=C(Nc1cnc2c(c1)CCCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000360738794 304012112 /nfs/dbraw/zinc/01/21/12/304012112.db2.gz NFHARSUCCFBENW-UHFFFAOYSA-N 0 2 313.313 2.827 20 5 DFBDLN Cc1nc(C(C)C)oc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000590393733 398618435 /nfs/dbraw/zinc/61/84/35/398618435.db2.gz UJVJGSDSXIHGSH-UHFFFAOYSA-N 0 2 319.317 2.650 20 5 DFBDLN CC(C)Cc1nnc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000164326903 186155924 /nfs/dbraw/zinc/15/59/24/186155924.db2.gz FBZSTNRVVNHGMM-UHFFFAOYSA-N 0 2 322.346 2.603 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](C2CCC2)C1 ZINC000598401488 398806656 /nfs/dbraw/zinc/80/66/56/398806656.db2.gz URVGUMBLBLJNHI-LBPRGKRZSA-N 0 2 304.346 2.953 20 5 DFBDLN Cc1ccc2[nH+]cc(/C=C/c3ncc([N+](=O)[O-])cc3C(=O)[O-])n2c1 ZINC000151398395 283283537 /nfs/dbraw/zinc/28/35/37/283283537.db2.gz KFRGRTHRPZGKRA-ONEGZZNKSA-N 0 2 324.296 2.815 20 5 DFBDLN CC(C)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179540256 199052560 /nfs/dbraw/zinc/05/25/60/199052560.db2.gz WDXGFNPWKWZVBP-CYBMUJFWSA-N 0 2 322.361 2.578 20 5 DFBDLN CCC[C@]1(COC)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000193774034 201122409 /nfs/dbraw/zinc/12/24/09/201122409.db2.gz FYYQDCBFPHBWKE-MRXNPFEDSA-N 0 2 322.361 2.722 20 5 DFBDLN CC1(C)C[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C(C)(C)O1 ZINC000599751058 399082665 /nfs/dbraw/zinc/08/26/65/399082665.db2.gz RPPGAVUAZNQLGO-JTQLQIEISA-N 0 2 308.334 2.833 20 5 DFBDLN COc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000093548492 193267133 /nfs/dbraw/zinc/26/71/33/193267133.db2.gz JSDDBSUENGCGAG-UHFFFAOYSA-N 0 2 306.249 2.700 20 5 DFBDLN CC(C)N(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600839682 399158552 /nfs/dbraw/zinc/15/85/52/399158552.db2.gz LFSNJYOBAXVIEH-UHFFFAOYSA-N 0 2 315.329 2.746 20 5 DFBDLN CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000017302993 182082460 /nfs/dbraw/zinc/08/24/60/182082460.db2.gz BMPOSZPVIFEVNR-UHFFFAOYSA-N 0 2 315.285 2.511 20 5 DFBDLN O=C(CCOc1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000021028380 182262513 /nfs/dbraw/zinc/26/25/13/182262513.db2.gz ZXOWMIMTHNALIX-UHFFFAOYSA-N 0 2 302.286 2.708 20 5 DFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H](C2CCCC2)C1 ZINC000421951999 296283869 /nfs/dbraw/zinc/28/38/69/296283869.db2.gz RBPNYZYPYDMSBC-LBPRGKRZSA-N 0 2 304.346 2.953 20 5 DFBDLN O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610353429 399360488 /nfs/dbraw/zinc/36/04/88/399360488.db2.gz WMEPDQCBXFYVOL-STQMWFEESA-N 0 2 304.346 2.999 20 5 DFBDLN C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000060692287 184153956 /nfs/dbraw/zinc/15/39/56/184153956.db2.gz RQLOOLPWTMZJQE-XHDPSFHLSA-N 0 2 322.361 2.626 20 5 DFBDLN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](C1CC1)C(F)(F)F ZINC000288649316 220321990 /nfs/dbraw/zinc/32/19/90/220321990.db2.gz SNSJCVNIKKCNRI-GFCCVEGCSA-N 0 2 302.252 2.594 20 5 DFBDLN C[C@H]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)C1 ZINC000120744474 195228652 /nfs/dbraw/zinc/22/86/52/195228652.db2.gz ILBODCVXSHPSSX-ZBEGNZNMSA-N 0 2 304.346 2.953 20 5 DFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C)n1 ZINC000116600385 542568344 /nfs/dbraw/zinc/56/83/44/542568344.db2.gz UXEMHXDHELSHCM-UHFFFAOYSA-N 0 2 321.358 2.661 20 5 DFBDLN Cc1sc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1[N+](=O)[O-] ZINC000121113983 195294940 /nfs/dbraw/zinc/29/49/40/195294940.db2.gz NODZJVWQPYUWMZ-UHFFFAOYSA-N 0 2 319.302 2.595 20 5 DFBDLN CCc1nc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])sc1C ZINC000234196899 146018086 /nfs/dbraw/zinc/01/80/86/146018086.db2.gz PLMNNVMJOHJLQH-UHFFFAOYSA-N 0 2 307.331 2.880 20 5 DFBDLN O=C(NCc1ccc(Cl)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561747 146022475 /nfs/dbraw/zinc/02/24/75/146022475.db2.gz CLOPRPSOEIZTGT-UHFFFAOYSA-N 0 2 306.705 2.884 20 5 DFBDLN CC[C@H](C)c1ncc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000355519584 147347501 /nfs/dbraw/zinc/34/75/01/147347501.db2.gz IVEGHLZHNWMHFN-VIFPVBQESA-N 0 2 316.317 2.856 20 5 DFBDLN C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361652979 149181854 /nfs/dbraw/zinc/18/18/54/149181854.db2.gz HIJHWNCIRBTYHT-SECBINFHSA-N 0 2 320.276 2.846 20 5 DFBDLN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1C ZINC000065418525 425902695 /nfs/dbraw/zinc/90/26/95/425902695.db2.gz GPQLIEPBYPMCMA-UHFFFAOYSA-N 0 2 316.313 2.547 20 5 DFBDLN C[C@H](c1cccnc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000068443953 425917813 /nfs/dbraw/zinc/91/78/13/425917813.db2.gz IPPFCRAZGKIIPI-SNVBAGLBSA-N 0 2 301.302 2.529 20 5 DFBDLN O=C(Cc1c[nH]c2ccccc12)Nc1cc([N+](=O)[O-])ccc1O ZINC000000235959 425546964 /nfs/dbraw/zinc/54/69/64/425546964.db2.gz VGBGYVSYRUYSGH-UHFFFAOYSA-N 0 2 311.297 2.963 20 5 DFBDLN C[C@@H](c1ccccn1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179459401 267697578 /nfs/dbraw/zinc/69/75/78/267697578.db2.gz YDIJXJBNAIGRMY-JTQLQIEISA-N 0 2 301.302 2.529 20 5 DFBDLN Cc1ccc(F)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000007405615 425644713 /nfs/dbraw/zinc/64/47/13/425644713.db2.gz NTGBPWCFAVCEMR-UHFFFAOYSA-N 0 2 310.306 2.843 20 5 DFBDLN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1(C)C ZINC000158005087 425941160 /nfs/dbraw/zinc/94/11/60/425941160.db2.gz AQXANFUMCFSKEE-KGLIPLIRSA-N 0 2 322.361 2.576 20 5 DFBDLN COc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159193200 425956670 /nfs/dbraw/zinc/95/66/70/425956670.db2.gz BBIZQBSLUWBLIX-UHFFFAOYSA-N 0 2 316.313 2.581 20 5 DFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cncn1-c1ccccc1 ZINC000089531109 426295275 /nfs/dbraw/zinc/29/52/75/426295275.db2.gz UKQVHMNBVCQRHF-UHFFFAOYSA-N 0 2 324.296 2.738 20 5 DFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c(F)cc(F)cc1F ZINC000089540759 426296955 /nfs/dbraw/zinc/29/69/55/426296955.db2.gz HWJIMYVEVQUMJQ-UHFFFAOYSA-N 0 2 312.203 2.970 20 5 DFBDLN CC(C)Oc1cccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546604 426349095 /nfs/dbraw/zinc/34/90/95/426349095.db2.gz MLLNVTITBCOKAD-UHFFFAOYSA-N 0 2 317.301 2.735 20 5 DFBDLN COCCCn1ccc(Nc2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC000153830994 426408613 /nfs/dbraw/zinc/40/86/13/426408613.db2.gz KFXXCZKVJPPGBV-UHFFFAOYSA-N 0 2 311.729 2.620 20 5 DFBDLN CC(C)(C)[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000272470408 426533267 /nfs/dbraw/zinc/53/32/67/426533267.db2.gz ZEYBMDXKIGNHNG-QMTHXVAHSA-N 0 2 322.361 2.624 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2c1cccc2F ZINC000187484840 426665138 /nfs/dbraw/zinc/66/51/38/426665138.db2.gz DESHSQNJQXSYJZ-UHFFFAOYSA-N 0 2 302.261 2.642 20 5 DFBDLN CN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179389779 426783907 /nfs/dbraw/zinc/78/39/07/426783907.db2.gz QLEBPZJJQRPFRA-UHFFFAOYSA-N 0 2 304.277 2.712 20 5 DFBDLN Cc1ncsc1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000189042445 426812692 /nfs/dbraw/zinc/81/26/92/426812692.db2.gz YYYQQRLREFMXGP-SNAWJCMRSA-N 0 2 305.315 2.717 20 5 DFBDLN O=C(NCc1cccc2cccnc21)c1cc([N+](=O)[O-])ccc1O ZINC000179461114 426793561 /nfs/dbraw/zinc/79/35/61/426793561.db2.gz PGIWYODVHRNWRX-UHFFFAOYSA-N 0 2 323.308 2.779 20 5 DFBDLN O=C(NCCCNc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000179489164 426795685 /nfs/dbraw/zinc/79/56/85/426795685.db2.gz BXOOIJIXEXGIDT-UHFFFAOYSA-N 0 2 315.329 2.532 20 5 DFBDLN C[C@H]1C(=O)CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC000275917885 426949561 /nfs/dbraw/zinc/94/95/61/426949561.db2.gz FWYQHNGFIQUHDY-ONGXEEELSA-N 0 2 320.345 2.880 20 5 DFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC=C(C(F)(F)F)CC1 ZINC000318829018 426958050 /nfs/dbraw/zinc/95/80/50/426958050.db2.gz XLYXFDCEBNBMPP-UHFFFAOYSA-N 0 2 316.235 2.635 20 5 DFBDLN C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182109159 427011942 /nfs/dbraw/zinc/01/19/42/427011942.db2.gz XRCJHJGRBCCCQV-JTQLQIEISA-N 0 2 316.313 2.839 20 5 DFBDLN CC(C)[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000330954313 427322396 /nfs/dbraw/zinc/32/23/96/427322396.db2.gz MBTWVBFSLYQJHQ-CYBMUJFWSA-N 0 2 310.375 2.514 20 5 DFBDLN Cc1oc(C(C)C)nc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000285944263 427382049 /nfs/dbraw/zinc/38/20/49/427382049.db2.gz BXBGYGAYCHBYBX-UHFFFAOYSA-N 0 2 305.290 2.973 20 5 DFBDLN CC(C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000184796892 427543332 /nfs/dbraw/zinc/54/33/32/427543332.db2.gz AORMMXQSZJGSHF-UHFFFAOYSA-N 0 2 318.333 2.795 20 5 DFBDLN CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184846644 427553492 /nfs/dbraw/zinc/55/34/92/427553492.db2.gz BJOVBFYZLQKDLT-AAEUAGOBSA-N 0 2 310.375 2.704 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000185198204 427612438 /nfs/dbraw/zinc/61/24/38/427612438.db2.gz SOAPGRZHWYDNRH-MRVPVSSYSA-N 0 2 318.251 2.715 20 5 DFBDLN Cc1csc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000184997996 427574483 /nfs/dbraw/zinc/57/44/83/427574483.db2.gz POVOTTQPOIRONY-MRVPVSSYSA-N 0 2 307.331 2.556 20 5 DFBDLN Cc1cnc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000298357978 427582383 /nfs/dbraw/zinc/58/23/83/427582383.db2.gz OUXZQWSHBJLHTA-UHFFFAOYSA-N 0 2 321.358 2.730 20 5 DFBDLN CC(C)O[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000332420516 427607529 /nfs/dbraw/zinc/60/75/29/427607529.db2.gz FHVZJCUHCVRQAG-KGLIPLIRSA-N 0 2 322.361 2.622 20 5 DFBDLN CC(C)OC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000185502612 427662930 /nfs/dbraw/zinc/66/29/30/427662930.db2.gz NRZVPMWLALCXCC-UHFFFAOYSA-N 0 2 322.361 2.766 20 5 DFBDLN Cc1ccc2[nH]c(NC(=O)c3cc(O)ccc3[N+](=O)[O-])nc2c1 ZINC000344527600 272333892 /nfs/dbraw/zinc/33/38/92/272333892.db2.gz LSSXFUPCOVMWNR-UHFFFAOYSA-N 0 2 312.285 2.737 20 5 DFBDLN Cc1ccc2nc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000344527600 272333893 /nfs/dbraw/zinc/33/38/93/272333893.db2.gz LSSXFUPCOVMWNR-UHFFFAOYSA-N 0 2 312.285 2.737 20 5 DFBDLN CCOc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000336861995 427765181 /nfs/dbraw/zinc/76/51/81/427765181.db2.gz GJWDJUXXFKRXJF-UHFFFAOYSA-N 0 2 302.286 2.951 20 5 DFBDLN CS[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 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COc1cccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000089531655 426295453 /nfs/dbraw/zinc/29/54/53/426295453.db2.gz PPQMNPAHAPFARL-UHFFFAOYSA-N 0 2 316.313 2.880 20 5 DFBDLN O=C(CCOc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531684 426296138 /nfs/dbraw/zinc/29/61/38/426296138.db2.gz CITYBOIGTMQNJM-UHFFFAOYSA-N 0 2 320.276 2.847 20 5 DFBDLN O=C(N[C@@H]1CCCc2occc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000119364260 426283376 /nfs/dbraw/zinc/28/33/76/426283376.db2.gz OVWBCUDPVQYJOT-LLVKDONJSA-N 0 2 302.286 2.701 20 5 DFBDLN Cc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(O)c1 ZINC000123259999 426424295 /nfs/dbraw/zinc/42/42/95/426424295.db2.gz AGXWKKQLEVLFDC-UHFFFAOYSA-N 0 2 322.342 2.718 20 5 DFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](c2ccccc2)C1 ZINC000179462244 426793809 /nfs/dbraw/zinc/79/38/09/426793809.db2.gz LQHJWBVCNGWPOA-CYBMUJFWSA-N 0 2 312.325 2.930 20 5 DFBDLN CS[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179506067 426795203 /nfs/dbraw/zinc/79/52/03/426795203.db2.gz MUIJIXFMJVTXQI-GXSJLCMTSA-N 0 2 310.375 2.704 20 5 DFBDLN CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000189640657 426912273 /nfs/dbraw/zinc/91/22/73/426912273.db2.gz DCYCRHLZUPZERT-UHFFFAOYSA-N 0 2 302.286 2.951 20 5 DFBDLN O=C(NCc1nccc2ccccc21)c1cc([N+](=O)[O-])ccc1O ZINC000181861762 426988754 /nfs/dbraw/zinc/98/87/54/426988754.db2.gz SIEGPGUJUCAOPA-UHFFFAOYSA-N 0 2 323.308 2.779 20 5 DFBDLN CCC1(CC)[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1OC ZINC000283349473 426999216 /nfs/dbraw/zinc/99/92/16/426999216.db2.gz IJQVHKYSVPWRJS-OLZOCXBDSA-N 0 2 322.361 2.624 20 5 DFBDLN CCC1(CC)[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H]1OC ZINC000283349470 426999671 /nfs/dbraw/zinc/99/96/71/426999671.db2.gz IJQVHKYSVPWRJS-CHWSQXEVSA-N 0 2 322.361 2.624 20 5 DFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1c1ccco1 ZINC000182022681 427010231 /nfs/dbraw/zinc/01/02/31/427010231.db2.gz AYABYGJPPLGKBL-GFCCVEGCSA-N 0 2 302.286 2.871 20 5 DFBDLN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1c(C)noc1C 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DFBDLN O=C(Nc1cc(F)c(F)cc1F)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183571049 427293243 /nfs/dbraw/zinc/29/32/43/427293243.db2.gz MUYLZCWMWCPUJG-UHFFFAOYSA-N 0 2 312.203 2.970 20 5 DFBDLN C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1 ZINC000338656356 427426742 /nfs/dbraw/zinc/42/67/42/427426742.db2.gz MVJCKDVARHIOBK-ZSBIGDGJSA-N 0 2 322.361 2.624 20 5 DFBDLN C[C@H](Cc1cccs1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184746481 427533824 /nfs/dbraw/zinc/53/38/24/427533824.db2.gz ZUXLBZCLEHNNCM-SECBINFHSA-N 0 2 306.343 2.723 20 5 DFBDLN Cc1csc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000184998018 427575880 /nfs/dbraw/zinc/57/58/80/427575880.db2.gz POVOTTQPOIRONY-QMMMGPOBSA-N 0 2 307.331 2.556 20 5 DFBDLN CC(C)(NC(=O)[C@@H](F)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000294267218 427605005 /nfs/dbraw/zinc/60/50/05/427605005.db2.gz XRUFZRDOAJCDBM-SECBINFHSA-N 0 2 308.231 2.847 20 5 DFBDLN CC(C)(NC(=O)C(F)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000294267218 427605012 /nfs/dbraw/zinc/60/50/12/427605012.db2.gz XRUFZRDOAJCDBM-SECBINFHSA-N 0 2 308.231 2.847 20 5 DFBDLN CC(C)O[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000332420521 427607824 /nfs/dbraw/zinc/60/78/24/427607824.db2.gz FHVZJCUHCVRQAG-ZIAGYGMSSA-N 0 2 322.361 2.622 20 5 DFBDLN O=C(Nc1ccc2nn[nH]c2c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342934165 272068681 /nfs/dbraw/zinc/06/86/81/272068681.db2.gz JTBGNSAMFRDTCY-UHFFFAOYSA-N 0 2 322.284 2.600 20 5 DFBDLN O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000343284402 272112703 /nfs/dbraw/zinc/11/27/03/272112703.db2.gz SUKJCQCLGPUBAB-UHFFFAOYSA-N 0 2 324.296 2.943 20 5 DFBDLN O=C(NC1(c2ccccc2F)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000343459759 272152121 /nfs/dbraw/zinc/15/21/21/272152121.db2.gz AZKNZNYJOVJJTQ-UHFFFAOYSA-N 0 2 316.288 2.859 20 5 DFBDLN C[C@H](C(=O)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336852863 427758864 /nfs/dbraw/zinc/75/88/64/427758864.db2.gz ZQVHEPPEPNUVBS-LLVKDONJSA-N 0 2 319.338 2.640 20 5 DFBDLN Cc1ccccc1C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194209311 427736168 /nfs/dbraw/zinc/73/61/68/427736168.db2.gz SYJBSSKYCKSRNE-GFCCVEGCSA-N 0 2 314.341 2.970 20 5 DFBDLN CC(C)(C)c1ncc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000346342683 428134361 /nfs/dbraw/zinc/13/43/61/428134361.db2.gz WJHHLNUIBJCTGO-UHFFFAOYSA-N 0 2 316.317 2.640 20 5 DFBDLN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000370535345 428233581 /nfs/dbraw/zinc/23/35/81/428233581.db2.gz YCKNBQKLUNBLAN-UHFFFAOYSA-N 0 2 324.296 2.943 20 5 DFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC=C(c2ccccc2)C1 ZINC000378607051 428437430 /nfs/dbraw/zinc/43/74/30/428437430.db2.gz FJBKDFZRBZTHDU-UHFFFAOYSA-N 0 2 310.309 2.840 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](c2ccco2)C1 ZINC000372333012 428430551 /nfs/dbraw/zinc/43/05/51/428430551.db2.gz VDFPMJHQUTXFLK-JTQLQIEISA-N 0 2 302.286 2.523 20 5 DFBDLN CCOc1nc(C)ccc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000362142257 428635843 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CS[C@@H]1CCCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000376071059 429051027 /nfs/dbraw/zinc/05/10/27/429051027.db2.gz VXGOKYRSBHFMMU-LLVKDONJSA-N 0 2 310.375 2.658 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456281065 429270755 /nfs/dbraw/zinc/27/07/55/429270755.db2.gz JEWLUTOXNHVRCJ-UKRRQHHQSA-N 0 2 302.330 2.561 20 5 DFBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000512841728 429361156 /nfs/dbraw/zinc/36/11/56/429361156.db2.gz VBBRINOCSOTDBB-SNVBAGLBSA-N 0 2 318.304 2.973 20 5 DFBDLN COc1cc(F)c(F)cc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000426839777 429421154 /nfs/dbraw/zinc/42/11/54/429421154.db2.gz GLJORSPFHRHXTP-UHFFFAOYSA-N 0 2 324.239 2.840 20 5 DFBDLN CC(C)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000426958937 429425772 /nfs/dbraw/zinc/42/57/72/429425772.db2.gz DSTZPBQDJTYQAC-UHFFFAOYSA-N 0 2 316.317 2.768 20 5 DFBDLN C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000542790679 430225715 /nfs/dbraw/zinc/22/57/15/430225715.db2.gz YNEGJXQBJMJATK-JOYOIKCWSA-N 0 2 316.313 2.947 20 5 DFBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000551936412 430571911 /nfs/dbraw/zinc/57/19/11/430571911.db2.gz PJEWMKUBXCKIMJ-UHFFFAOYSA-N 0 2 308.240 2.855 20 5 DFBDLN O=C(NCc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436518684 297008278 /nfs/dbraw/zinc/00/82/78/297008278.db2.gz SEVPSFYSBOVMTP-UHFFFAOYSA-N 0 2 308.240 2.509 20 5 DFBDLN COc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000436636359 297020212 /nfs/dbraw/zinc/02/02/12/297020212.db2.gz QDMNCOSDVIRCTE-UHFFFAOYSA-N 0 2 318.285 2.570 20 5 DFBDLN COc1cc(-c2nc3cnccc3s2)cc([N+](=O)[O-])c1O ZINC000436653682 297021933 /nfs/dbraw/zinc/02/19/33/297021933.db2.gz CEDCVEOHRVFXAX-UHFFFAOYSA-N 0 2 303.299 2.981 20 5 DFBDLN C[C@H](Cc1ccccc1F)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436670776 297023604 /nfs/dbraw/zinc/02/36/04/297023604.db2.gz HLCMRKCRRXLKMS-SNVBAGLBSA-N 0 2 318.304 2.801 20 5 DFBDLN 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JQICEFDVONYSRS-UHFFFAOYSA-N 0 2 324.296 2.738 20 5 DFBDLN CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184846626 427551221 /nfs/dbraw/zinc/55/12/21/427551221.db2.gz BJOVBFYZLQKDLT-WCQYABFASA-N 0 2 310.375 2.704 20 5 DFBDLN CO[C@]1(C)C[C@@H](N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])C1(C)C ZINC000332447950 427614029 /nfs/dbraw/zinc/61/40/29/427614029.db2.gz MPIULMUSYMCYHL-MLGOLLRUSA-N 0 2 322.361 2.576 20 5 DFBDLN O=C(Nc1ccccc1-n1cccn1)c1cccc(O)c1[N+](=O)[O-] ZINC000342960281 272071938 /nfs/dbraw/zinc/07/19/38/272071938.db2.gz MMSMWDKKNBGNRU-UHFFFAOYSA-N 0 2 324.296 2.738 20 5 DFBDLN CCOc1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185602662 427678265 /nfs/dbraw/zinc/67/82/65/427678265.db2.gz VRFVLWSQPZTCGP-UHFFFAOYSA-N 0 2 316.313 2.976 20 5 DFBDLN CCc1ccc(O)c(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000343816389 272225308 /nfs/dbraw/zinc/22/53/08/272225308.db2.gz SSLIGKGMSMRXRJ-UHFFFAOYSA-N 0 2 302.286 2.821 20 5 DFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCc2ccc(F)cc2C1 ZINC000339342491 427756825 /nfs/dbraw/zinc/75/68/25/427756825.db2.gz GAKLQLXQUUBXIJ-UHFFFAOYSA-N 0 2 316.288 2.638 20 5 DFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2ccc(F)cc21 ZINC000336861599 427765031 /nfs/dbraw/zinc/76/50/31/427765031.db2.gz CZTTYFFIUHNGDI-UHFFFAOYSA-N 0 2 302.261 2.642 20 5 DFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1Cc2ccccc2S1 ZINC000336862460 427765425 /nfs/dbraw/zinc/76/54/25/427765425.db2.gz JKHKPLJHZNMIOI-AWEZNQCLSA-N 0 2 316.338 2.956 20 5 DFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc2c(s1)CCOC2 ZINC000186022069 427741036 /nfs/dbraw/zinc/74/10/36/427741036.db2.gz FTMRXLDNWMKYRT-UHFFFAOYSA-N 0 2 320.326 2.687 20 5 DFBDLN Cc1ccc2[nH+]c(/C=C\c3ncc([N+](=O)[O-])cc3C(=O)[O-])cn2c1 ZINC000340590558 427890045 /nfs/dbraw/zinc/89/00/45/427890045.db2.gz PIAYOSVXEBVKGW-ARJAWSKDSA-N 0 2 324.296 2.815 20 5 DFBDLN O=C(NC[C@H]1CCCC(F)(F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355819263 427909482 /nfs/dbraw/zinc/90/94/82/427909482.db2.gz LSMGFGHAVAONIN-VIFPVBQESA-N 0 2 314.288 2.856 20 5 DFBDLN 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317.301 2.574 20 5 DFBDLN CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000077222337 398889439 /nfs/dbraw/zinc/88/94/39/398889439.db2.gz LLIMQPQFHNRJSO-UHFFFAOYSA-N 0 2 316.313 2.629 20 5 DFBDLN CCCO[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000373372541 283406713 /nfs/dbraw/zinc/40/67/13/283406713.db2.gz HHRDQBBYZWEKNO-CYBMUJFWSA-N 0 2 322.361 2.722 20 5 DFBDLN O=C(N[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1O ZINC000184600927 283460416 /nfs/dbraw/zinc/46/04/16/283460416.db2.gz YGRIXBFZHPWYBT-CYBMUJFWSA-N 0 2 314.297 2.554 20 5 DFBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(C)cs1 ZINC000184822988 283462329 /nfs/dbraw/zinc/46/23/29/283462329.db2.gz YTVZQJHKQUIFIX-UHFFFAOYSA-N 0 2 307.331 2.732 20 5 DFBDLN COc1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000055546914 398935189 /nfs/dbraw/zinc/93/51/89/398935189.db2.gz FDEFHMYIEHISLV-UHFFFAOYSA-N 0 2 322.342 2.713 20 5 DFBDLN COCc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055595308 398936726 /nfs/dbraw/zinc/93/67/26/398936726.db2.gz SSDZBPRIDWDASD-UHFFFAOYSA-N 0 2 322.342 2.542 20 5 DFBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H](C)C1(F)F ZINC000600185203 398993988 /nfs/dbraw/zinc/99/39/88/398993988.db2.gz RMRWICPXFXIFRR-RKDXNWHRSA-N 0 2 314.288 2.664 20 5 DFBDLN C[C@H]1CC(F)(F)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600448894 399055253 /nfs/dbraw/zinc/05/52/53/399055253.db2.gz NIHSNUPTSHJYRS-QMMMGPOBSA-N 0 2 300.261 2.560 20 5 DFBDLN C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600448892 399055389 /nfs/dbraw/zinc/05/53/89/399055389.db2.gz NIHSNUPTSHJYRS-MRVPVSSYSA-N 0 2 300.261 2.560 20 5 DFBDLN C[C@H]1CC(F)(F)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600451441 399057378 /nfs/dbraw/zinc/05/73/78/399057378.db2.gz ZPRJMMZWFJFTJU-QMMMGPOBSA-N 0 2 300.261 2.560 20 5 DFBDLN C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613973556 399125066 /nfs/dbraw/zinc/12/50/66/399125066.db2.gz UOQGBIXACZAZAF-NVXWUHKLSA-N 0 2 312.325 2.760 20 5 DFBDLN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613973558 399125489 /nfs/dbraw/zinc/12/54/89/399125489.db2.gz UOQGBIXACZAZAF-RDJZCZTQSA-N 0 2 312.325 2.760 20 5 DFBDLN CCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000022742929 182332338 /nfs/dbraw/zinc/33/23/38/182332338.db2.gz WAQXLOMPJLYFJN-UHFFFAOYSA-N 0 2 322.346 2.747 20 5 DFBDLN C[C@@H](CCc1ccco1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000025390609 182412571 /nfs/dbraw/zinc/41/25/71/182412571.db2.gz LRILLQLRNTVBBB-JTQLQIEISA-N 0 2 304.302 2.645 20 5 DFBDLN O=C(NC[C@H]1CC12CCSCC2)c1cccc(O)c1[N+](=O)[O-] ZINC000421908983 296280725 /nfs/dbraw/zinc/28/07/25/296280725.db2.gz GHJQGWUSMMOBFU-SNVBAGLBSA-N 0 2 322.386 2.564 20 5 DFBDLN CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccn1 ZINC000619878273 399397074 /nfs/dbraw/zinc/39/70/74/399397074.db2.gz AYJJMKWGTRWQHJ-UHFFFAOYSA-N 0 2 301.302 2.612 20 5 DFBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(C)cs1 ZINC000157816522 197218070 /nfs/dbraw/zinc/21/80/70/197218070.db2.gz 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148025832 /nfs/dbraw/zinc/02/58/32/148025832.db2.gz NCOBJGHFUXJCNX-UHFFFAOYSA-N 0 2 319.342 2.668 20 5 DFBDLN O=C(N[C@H]1CCc2cc(F)ccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000351642326 286179448 /nfs/dbraw/zinc/17/94/48/286179448.db2.gz UYKVSOSPBMVMBN-AWEZNQCLSA-N 0 2 316.288 2.857 20 5 DFBDLN Cc1cc2n[nH]cc2cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355184352 158292284 /nfs/dbraw/zinc/29/22/84/158292284.db2.gz GRDDUSJXQCQHAW-UHFFFAOYSA-N 0 2 312.285 2.737 20 5 DFBDLN COc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032585493 267398590 /nfs/dbraw/zinc/39/85/90/267398590.db2.gz DVRKCCPFJZFEIC-UHFFFAOYSA-N 0 2 322.342 2.713 20 5 DFBDLN CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000030542050 425831504 /nfs/dbraw/zinc/83/15/04/425831504.db2.gz RKGYMUWMQIBZRY-HNNXBMFYSA-N 0 2 313.313 2.887 20 5 DFBDLN O=c1[nH]nc(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[nH]1 ZINC000192750797 268047209 /nfs/dbraw/zinc/04/72/09/268047209.db2.gz UILZOGFPKZHHKV-UHFFFAOYSA-N 0 2 306.225 2.589 20 5 DFBDLN COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000194740048 268114043 /nfs/dbraw/zinc/11/40/43/268114043.db2.gz LQNWCFUHVQIIGD-UHFFFAOYSA-N 0 2 316.313 2.581 20 5 DFBDLN O=C(NC[C@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000111632657 426054890 /nfs/dbraw/zinc/05/48/90/426054890.db2.gz JXTPJPKSDNUDPC-CYBMUJFWSA-N 0 2 312.325 2.760 20 5 DFBDLN Cc1sc(S(=O)(=O)Nc2ccsc2)cc1[N+](=O)[O-] ZINC000119238595 426271140 /nfs/dbraw/zinc/27/11/40/426271140.db2.gz RIOZFLVWUNNUBS-UHFFFAOYSA-N 0 2 304.374 2.827 20 5 DFBDLN Cc1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1O ZINC000175974881 426342891 /nfs/dbraw/zinc/34/28/91/426342891.db2.gz SARTUQITOMTZDW-UHFFFAOYSA-N 0 2 322.342 2.718 20 5 DFBDLN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC12CCC2 ZINC000272463310 426531604 /nfs/dbraw/zinc/53/16/04/426531604.db2.gz YBEJBJLHMHHVRF-LLVKDONJSA-N 0 2 304.346 2.953 20 5 DFBDLN Cc1csc(C(C)(C)NC(=O)c2cccc(O)c2[N+](=O)[O-])n1 ZINC000280774228 426653495 /nfs/dbraw/zinc/65/34/95/426653495.db2.gz CAFYRABPWUUITQ-UHFFFAOYSA-N 0 2 321.358 2.730 20 5 DFBDLN C[C@H]1CCCC[C@H]1OCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280809920 426660950 /nfs/dbraw/zinc/66/09/50/426660950.db2.gz QLHMQFPFYOHUGR-SMDDNHRTSA-N 0 2 322.361 2.626 20 5 DFBDLN CCc1nc([C@@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])cs1 ZINC000280915014 426684082 /nfs/dbraw/zinc/68/40/82/426684082.db2.gz IVZSQWZRQXSZIW-MRVPVSSYSA-N 0 2 321.358 2.810 20 5 DFBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC12CCC2 ZINC000274827125 426846576 /nfs/dbraw/zinc/84/65/76/426846576.db2.gz RFIMFGDCFYBBQY-LLVKDONJSA-N 0 2 304.346 2.953 20 5 DFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C(=O)c1ccc(Cl)cc1 ZINC000180772854 426888541 /nfs/dbraw/zinc/88/85/41/426888541.db2.gz SCAOQZFLGHVXDY-UHFFFAOYSA-N 0 2 320.688 2.775 20 5 DFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](C(F)(F)F)C1 ZINC000181857955 426984991 /nfs/dbraw/zinc/98/49/91/426984991.db2.gz LJCZKOFMESSUGI-QMMMGPOBSA-N 0 2 318.251 2.715 20 5 DFBDLN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182087629 427012550 /nfs/dbraw/zinc/01/25/50/427012550.db2.gz HLURNMPMXREZHX-PSLIRLAXSA-N 0 2 314.297 2.804 20 5 DFBDLN C[C@@H](CNc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000164789288 271094907 /nfs/dbraw/zinc/09/49/07/271094907.db2.gz DLAZXSABSPDVHQ-NSHDSACASA-N 0 2 315.329 2.531 20 5 DFBDLN O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cccc2[nH+]ccn21 ZINC000338157594 427164176 /nfs/dbraw/zinc/16/41/76/427164176.db2.gz TXJPIIHMQVODBP-SNAWJCMRSA-N 0 2 310.269 2.506 20 5 DFBDLN CC(C)(C)c1n[nH]cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000293298528 427279685 /nfs/dbraw/zinc/27/96/85/427279685.db2.gz DJXKUHRKGMRHBW-UHFFFAOYSA-N 0 2 304.306 2.573 20 5 DFBDLN CC(C)(C)c1[nH]ncc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000293298528 427279687 /nfs/dbraw/zinc/27/96/87/427279687.db2.gz DJXKUHRKGMRHBW-UHFFFAOYSA-N 0 2 304.306 2.573 20 5 DFBDLN CC(C)OCCCc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000277819130 427330269 /nfs/dbraw/zinc/33/02/69/427330269.db2.gz HLGSNFBDXVCCKR-UHFFFAOYSA-N 0 2 307.306 2.708 20 5 DFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277696325 427288179 /nfs/dbraw/zinc/28/81/79/427288179.db2.gz VTEKOINAOQQSJP-QMMMGPOBSA-N 0 2 318.251 2.715 20 5 DFBDLN CC(C)(C)n1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000183918743 427356262 /nfs/dbraw/zinc/35/62/62/427356262.db2.gz FHKHECJRZJAPBD-UHFFFAOYSA-N 0 2 304.306 2.504 20 5 DFBDLN Cc1ccncc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000191776913 427424843 /nfs/dbraw/zinc/42/48/43/427424843.db2.gz VMDLHJGJSJARAM-UHFFFAOYSA-N 0 2 321.358 2.716 20 5 DFBDLN CC(=O)c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1F ZINC000341125436 271784603 /nfs/dbraw/zinc/78/46/03/271784603.db2.gz WSHFQWMMLXRBAG-UHFFFAOYSA-N 0 2 318.260 2.894 20 5 DFBDLN O=C(N[C@H]1CCCc2occc21)c1ccc([N+](=O)[O-])cc1O ZINC000184634961 427508373 /nfs/dbraw/zinc/50/83/73/427508373.db2.gz ZFQFBJLMKXIJCQ-LBPRGKRZSA-N 0 2 302.286 2.701 20 5 DFBDLN O=C(N[C@@H]1CCCc2occc21)c1ccc([N+](=O)[O-])cc1O ZINC000184634944 427509104 /nfs/dbraw/zinc/50/91/04/427509104.db2.gz 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ZINC000179388461 426784800 /nfs/dbraw/zinc/78/48/00/426784800.db2.gz NSYMZWZHLQDMLO-UHFFFAOYSA-N 0 2 304.277 2.712 20 5 DFBDLN CCc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000188150709 426725963 /nfs/dbraw/zinc/72/59/63/426725963.db2.gz FIDJBYRQRKCVEC-UHFFFAOYSA-N 0 2 321.358 2.661 20 5 DFBDLN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC000179513190 426798136 /nfs/dbraw/zinc/79/81/36/426798136.db2.gz FDIFZBIKUYHWNV-KGLIPLIRSA-N 0 2 322.361 2.576 20 5 DFBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]2CCCC[C@@H]21 ZINC000180529389 426867180 /nfs/dbraw/zinc/86/71/80/426867180.db2.gz DHELTNONFLVTRU-MPKXVKKWSA-N 0 2 304.346 2.951 20 5 DFBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]2CCCC[C@H]21 ZINC000248384275 426993261 /nfs/dbraw/zinc/99/32/61/426993261.db2.gz DHELTNONFLVTRU-SCDSUCTJSA-N 0 2 304.346 2.951 20 5 DFBDLN C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1O)c1nccs1 ZINC000182522784 427094034 /nfs/dbraw/zinc/09/40/34/427094034.db2.gz 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427551102 /nfs/dbraw/zinc/55/11/02/427551102.db2.gz BJOVBFYZLQKDLT-DGCLKSJQSA-N 0 2 310.375 2.704 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccccn1)C1CC1 ZINC000185034786 427584307 /nfs/dbraw/zinc/58/43/07/427584307.db2.gz FKBBKUYPFJKOHD-UHFFFAOYSA-N 0 2 313.313 2.500 20 5 DFBDLN CC(C)O[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(C)C ZINC000332421604 427606526 /nfs/dbraw/zinc/60/65/26/427606526.db2.gz FTTPHDYYHHMWOR-ZIAGYGMSSA-N 0 2 322.361 2.622 20 5 DFBDLN Cc1cc(N(C)C)ccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343069633 272081820 /nfs/dbraw/zinc/08/18/20/272081820.db2.gz CVSRPSKTQLBNSK-UHFFFAOYSA-N 0 2 315.329 2.927 20 5 DFBDLN CC(C)(C)c1nc(=NC(=O)c2cc(F)cc([N+](=O)[O-])c2)s[nH]1 ZINC000344238386 272294039 /nfs/dbraw/zinc/29/40/39/272294039.db2.gz JABDAOIKIOACCW-UHFFFAOYSA-N 0 2 324.337 2.557 20 5 DFBDLN O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185841689 427717274 /nfs/dbraw/zinc/71/72/74/427717274.db2.gz RPESHJJCJQRCBI-UHFFFAOYSA-N 0 2 324.296 2.943 20 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O=C(NCC1CCC(F)(F)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436511266 297007989 /nfs/dbraw/zinc/00/79/89/297007989.db2.gz IJZZLQXFABEJQJ-UHFFFAOYSA-N 0 2 314.288 2.856 20 5 DFBDLN CCc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000436674564 297024155 /nfs/dbraw/zinc/02/41/55/297024155.db2.gz QDXVPRUMQYIIEM-UHFFFAOYSA-N 0 2 306.343 2.854 20 5 DFBDLN CCc1nc(C)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000436834298 297038488 /nfs/dbraw/zinc/03/84/88/297038488.db2.gz MAHKMCPDXKAAJX-UHFFFAOYSA-N 0 2 307.331 2.880 20 5 DFBDLN CC(C)CSCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436880424 297041566 /nfs/dbraw/zinc/04/15/66/297041566.db2.gz JLBVHQHPJCZMQF-UHFFFAOYSA-N 0 2 312.391 2.810 20 5 DFBDLN CCCc1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436888817 297042231 /nfs/dbraw/zinc/04/22/31/297042231.db2.gz PBHJLNWIWUSNPW-UHFFFAOYSA-N 0 2 307.331 2.962 20 5 DFBDLN Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436890133 297042483 /nfs/dbraw/zinc/04/24/83/297042483.db2.gz DQIXNGZSOLRHSA-UHFFFAOYSA-N 0 2 312.232 2.522 20 5 DFBDLN O=C(NCC(F)(F)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436935017 297045667 /nfs/dbraw/zinc/04/56/67/297045667.db2.gz YZUWXECXVSRCTO-UHFFFAOYSA-N 0 2 322.267 2.822 20 5 DFBDLN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436947435 297047368 /nfs/dbraw/zinc/04/73/68/297047368.db2.gz MIJWNCIOZVBDDH-JTQLQIEISA-N 0 2 316.313 2.800 20 5 DFBDLN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1C ZINC000436958060 297047535 /nfs/dbraw/zinc/04/75/35/297047535.db2.gz CYZVMWZZRDRFDX-UHFFFAOYSA-N 0 2 316.313 2.547 20 5 DFBDLN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436962620 297048171 /nfs/dbraw/zinc/04/81/71/297048171.db2.gz OGDRRCRAANUSKB-UHFFFAOYSA-N 0 2 300.314 2.966 20 5 DFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCc2cccc(F)c2C1 ZINC000436960876 297048226 /nfs/dbraw/zinc/04/82/26/297048226.db2.gz RXSDYRVOERPCOR-UHFFFAOYSA-N 0 2 316.288 2.638 20 5 DFBDLN CC1(NC(=O)c2cc([N+](=O)[O-])ccc2O)Cc2ccccc2C1 ZINC000436959347 297048239 /nfs/dbraw/zinc/04/82/39/297048239.db2.gz MSWAYWSDWGZHMX-UHFFFAOYSA-N 0 2 312.325 2.588 20 5 DFBDLN O=C(NCCCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436969791 297048295 /nfs/dbraw/zinc/04/82/95/297048295.db2.gz AIVUNQDHOGOKHA-UHFFFAOYSA-N 0 2 318.304 2.802 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2cc(F)c(F)cc21 ZINC000436973904 297048934 /nfs/dbraw/zinc/04/89/34/297048934.db2.gz VSISJHLBWJDEDH-UHFFFAOYSA-N 0 2 320.251 2.782 20 5 DFBDLN COc1cc(F)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1F ZINC000163424489 295422757 /nfs/dbraw/zinc/42/27/57/295422757.db2.gz AJKLSNPSGVYCIY-UHFFFAOYSA-N 0 2 324.239 2.840 20 5 DFBDLN O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000412478007 295627580 /nfs/dbraw/zinc/62/75/80/295627580.db2.gz PREHHOXDGVQPFZ-WCQYABFASA-N 0 2 304.346 2.857 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000176326641 304530604 /nfs/dbraw/zinc/53/06/04/304530604.db2.gz KMMGFCJUTMVFCN-TZMCWYRMSA-N 0 2 322.386 2.801 20 5 DFBDLN Cc1c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000534580659 301234663 /nfs/dbraw/zinc/23/46/63/301234663.db2.gz LGQOUWYZZJRNQI-AWEZNQCLSA-N 0 2 300.362 2.626 20 5 DFBDLN C[C@@H](Cc1ccsc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000548123184 301568012 /nfs/dbraw/zinc/56/80/12/301568012.db2.gz BCOZPPGZLWLADJ-VIFPVBQESA-N 0 2 306.343 2.723 20 5 DFBDLN CCc1ccc(OCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000183913680 316154865 /nfs/dbraw/zinc/15/48/65/316154865.db2.gz CYAZVOFLLBGAHB-UHFFFAOYSA-N 0 2 316.313 2.880 20 5 DFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2ccccc2CC1 ZINC000324481310 316261183 /nfs/dbraw/zinc/26/11/83/316261183.db2.gz GLISETYGNSVRHA-UHFFFAOYSA-N 0 2 312.325 2.541 20 5 DFBDLN C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000518476910 317714370 /nfs/dbraw/zinc/71/43/70/317714370.db2.gz PZNFNWHIYNFSBX-FIHUPRISSA-N 0 2 316.357 2.809 20 5 DFBDLN CCC[C@]1(COC)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000193751422 323257992 /nfs/dbraw/zinc/25/79/92/323257992.db2.gz SXUTYPJJRRLEHD-MRXNPFEDSA-N 0 2 322.361 2.722 20 5 DFBDLN C[N@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000833694340 604524185 /nfs/dbraw/zinc/52/41/85/604524185.db2.gz GMPMVPJYECCACZ-UHFFFAOYSA-N 0 2 323.736 2.907 20 5 DFBDLN C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000833694340 604524187 /nfs/dbraw/zinc/52/41/87/604524187.db2.gz GMPMVPJYECCACZ-UHFFFAOYSA-N 0 2 323.736 2.907 20 5 DFBDLN C[N@H+](Cc1ccc(NC(=O)[O-])nc1)Cc1ccccc1[N+](=O)[O-] ZINC000833874689 605482638 /nfs/dbraw/zinc/48/26/38/605482638.db2.gz WLBHHHPDFSWNAH-UHFFFAOYSA-N 0 2 316.317 2.712 20 5 DFBDLN C[N@@H+](Cc1ccc(NC(=O)[O-])nc1)Cc1ccccc1[N+](=O)[O-] ZINC000833874689 605482642 /nfs/dbraw/zinc/48/26/42/605482642.db2.gz WLBHHHPDFSWNAH-UHFFFAOYSA-N 0 2 316.317 2.712 20 5 DFBDLN CCn1c(C)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C ZINC000092547207 185325299 /nfs/dbraw/zinc/32/52/99/185325299.db2.gz HRZDJDMSBWQYCU-UHFFFAOYSA-N 0 2 303.318 2.991 20 5 DFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1scnc1C1CC1 ZINC000092547534 185325342 /nfs/dbraw/zinc/32/53/42/185325342.db2.gz PTIAVEHRZGRQFO-UHFFFAOYSA-N 0 2 305.315 2.887 20 5 DFBDLN O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376073492 303975119 /nfs/dbraw/zinc/97/51/19/303975119.db2.gz DWQMJGVMBWPXAQ-NSHDSACASA-N 0 2 320.345 2.522 20 5 DFBDLN CN(CCc1ccccc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000318629763 529934362 /nfs/dbraw/zinc/93/43/62/529934362.db2.gz BXGJYFVRJJJPFX-UHFFFAOYSA-N 0 2 300.314 2.615 20 5 DFBDLN CCC1(CC)[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1OC ZINC000283349477 282388807 /nfs/dbraw/zinc/38/88/07/282388807.db2.gz IJQVHKYSVPWRJS-STQMWFEESA-N 0 2 322.361 2.624 20 5 DFBDLN O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000413874053 295746464 /nfs/dbraw/zinc/74/64/64/295746464.db2.gz HLBJOEUEZQAVMT-VXGBXAGGSA-N 0 2 304.346 2.857 20 5 DFBDLN CN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031026122 398509852 /nfs/dbraw/zinc/50/98/52/398509852.db2.gz KKNZJJXBTZGPQQ-UHFFFAOYSA-N 0 2 322.267 2.851 20 5 DFBDLN CCCc1[nH]nc(C(=O)Nc2cccc(Cl)c2O)c1[N+](=O)[O-] ZINC000077011121 282575288 /nfs/dbraw/zinc/57/52/88/282575288.db2.gz CVZQYBRZUSNGMV-UHFFFAOYSA-N 0 2 324.724 2.882 20 5 DFBDLN COc1cc(-c2nc3ccc(F)cc3[nH]2)cc([N+](=O)[O-])c1O ZINC000069835915 398586279 /nfs/dbraw/zinc/58/62/79/398586279.db2.gz BXHVQNSMPLLOSR-UHFFFAOYSA-N 0 2 303.249 2.991 20 5 DFBDLN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2[nH]nnc2c1 ZINC000590549986 398630835 /nfs/dbraw/zinc/63/08/35/398630835.db2.gz JUNSCILSJQGNBO-UHFFFAOYSA-N 0 2 311.301 2.735 20 5 DFBDLN CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736593 398678795 /nfs/dbraw/zinc/67/87/95/398678795.db2.gz NSAYNLVPTOEDRH-CQSZACIVSA-N 0 2 322.361 2.540 20 5 DFBDLN CC(C)C[C@@H]1COCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736593 398678798 /nfs/dbraw/zinc/67/87/98/398678798.db2.gz NSAYNLVPTOEDRH-CQSZACIVSA-N 0 2 322.361 2.540 20 5 DFBDLN CS[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000593786203 398687699 /nfs/dbraw/zinc/68/76/99/398687699.db2.gz UVZUJULSGSNPCM-ZYHUDNBSSA-N 0 2 310.375 2.704 20 5 DFBDLN O=C(NCCCOC1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073068862 191276605 /nfs/dbraw/zinc/27/66/05/191276605.db2.gz GBUCRRULUQUFEN-UHFFFAOYSA-N 0 2 322.361 2.770 20 5 DFBDLN CCc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000074827870 191367984 /nfs/dbraw/zinc/36/79/84/191367984.db2.gz ZPHWYCQYGYZIPY-UHFFFAOYSA-N 0 2 302.286 2.821 20 5 DFBDLN O=C(NCCc1ccccc1[N+](=O)[O-])c1c(O)cc(F)cc1F ZINC000075135270 398788862 /nfs/dbraw/zinc/78/88/62/398788862.db2.gz OYHGHJMOOCJOEL-UHFFFAOYSA-N 0 2 322.267 2.551 20 5 DFBDLN C[C@@H](Sc1ccccn1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000135342161 283215692 /nfs/dbraw/zinc/21/56/92/283215692.db2.gz QMYYVXUELZWTKQ-SECBINFHSA-N 0 2 319.342 2.815 20 5 DFBDLN O=C(NCc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075942007 398830221 /nfs/dbraw/zinc/83/02/21/398830221.db2.gz HBRFCKOFWQCAKI-UHFFFAOYSA-N 0 2 323.308 2.779 20 5 DFBDLN COc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000153369951 283364850 /nfs/dbraw/zinc/36/48/50/283364850.db2.gz WPTCBBGQDVMADA-UHFFFAOYSA-N 0 2 306.249 2.700 20 5 DFBDLN CCCO[C@@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000280698767 283406770 /nfs/dbraw/zinc/40/67/70/283406770.db2.gz FCQWZPCGVYVXLU-GFCCVEGCSA-N 0 2 322.361 2.722 20 5 DFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(F)cc1 ZINC000055547210 398935563 /nfs/dbraw/zinc/93/55/63/398935563.db2.gz ITECNBUMMQVLGA-UHFFFAOYSA-N 0 2 310.306 2.843 20 5 DFBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]2CCCC[C@@H]12 ZINC000248384274 283700884 /nfs/dbraw/zinc/70/08/84/283700884.db2.gz DHELTNONFLVTRU-OSMZGAPFSA-N 0 2 304.346 2.951 20 5 DFBDLN O=C(NCc1ccc2ncccc2c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194911905 201309711 /nfs/dbraw/zinc/30/97/11/201309711.db2.gz NRHVOGHEJGIXID-UHFFFAOYSA-N 0 2 323.308 2.779 20 5 DFBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)C1(F)F ZINC000600182544 398992696 /nfs/dbraw/zinc/99/26/96/398992696.db2.gz FNUOZQWFRQAJOH-IUCAKERBSA-N 0 2 314.288 2.664 20 5 DFBDLN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000600187446 398996340 /nfs/dbraw/zinc/99/63/40/398996340.db2.gz YRTZZMCFQAYINU-RKDXNWHRSA-N 0 2 314.288 2.664 20 5 DFBDLN CCC(NC(=O)c1ccc([N+](=O)[O-])c(O)c1)(C1CC1)C1CC1 ZINC000600247745 399018142 /nfs/dbraw/zinc/01/81/42/399018142.db2.gz ZBQBVSZDONPCPY-UHFFFAOYSA-N 0 2 304.346 2.999 20 5 DFBDLN CC1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000600263169 399021801 /nfs/dbraw/zinc/02/18/01/399021801.db2.gz YZMWEBAYYMQVOZ-UHFFFAOYSA-N 0 2 314.288 2.998 20 5 DFBDLN CC(C)Cn1ncc(Nc2ncc([N+](=O)[O-])cn2)c1C1CC1 ZINC000340944206 284221655 /nfs/dbraw/zinc/22/16/55/284221655.db2.gz VROJALWZJCZGBZ-UHFFFAOYSA-N 0 2 302.338 2.858 20 5 DFBDLN CCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000021027638 182262155 /nfs/dbraw/zinc/26/21/55/182262155.db2.gz BEXBPQPTAWWMCZ-UHFFFAOYSA-N 0 2 302.286 2.951 20 5 DFBDLN O=C(NC[C@@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000421908571 296280766 /nfs/dbraw/zinc/28/07/66/296280766.db2.gz FRCFQPQHNAQYDM-NSHDSACASA-N 0 2 322.386 2.564 20 5 DFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H](C2CCCC2)C1 ZINC000421940903 296282782 /nfs/dbraw/zinc/28/27/82/296282782.db2.gz BCLKNNKHCAKEJI-GFCCVEGCSA-N 0 2 304.346 2.953 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](C2CCCC2)C1 ZINC000421951300 296283819 /nfs/dbraw/zinc/28/38/19/296283819.db2.gz PRPDPKFEYNBRGN-CYBMUJFWSA-N 0 2 304.346 2.953 20 5 DFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](C2CCCC2)C1 ZINC000421951998 296283837 /nfs/dbraw/zinc/28/38/37/296283837.db2.gz RBPNYZYPYDMSBC-GFCCVEGCSA-N 0 2 304.346 2.953 20 5 DFBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc(C)cs1 ZINC000104939512 194054661 /nfs/dbraw/zinc/05/46/61/194054661.db2.gz XQOZNDHJSWCARG-SNVBAGLBSA-N 0 2 321.358 2.946 20 5 DFBDLN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610352794 399360300 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ZINC000089531063 426295568 /nfs/dbraw/zinc/29/55/68/426295568.db2.gz VOTWRBDIFKILAO-UHFFFAOYSA-N 0 2 300.270 2.755 20 5 DFBDLN O=C(NCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000090487568 426327698 /nfs/dbraw/zinc/32/76/98/426327698.db2.gz VIAYTZBYRYYIME-UHFFFAOYSA-N 0 2 306.705 2.884 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1c1ccncc1 ZINC000121842083 426353927 /nfs/dbraw/zinc/35/39/27/426353927.db2.gz XKDRXBMXJWJTAV-CYBMUJFWSA-N 0 2 313.313 2.673 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCS[C@H]2CCCC[C@H]21 ZINC000176326628 426371706 /nfs/dbraw/zinc/37/17/06/426371706.db2.gz KMMGFCJUTMVFCN-OCCSQVGLSA-N 0 2 322.386 2.801 20 5 DFBDLN CC(C)(C)c1nsc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000273325958 426644753 /nfs/dbraw/zinc/64/47/53/426644753.db2.gz QTYWSPUQCDZXCV-UHFFFAOYSA-N 0 2 322.346 2.702 20 5 DFBDLN Cc1cnc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000187743683 426689278 /nfs/dbraw/zinc/68/92/78/426689278.db2.gz OJIBMJDIXGWOFU-QMMMGPOBSA-N 0 2 307.331 2.556 20 5 DFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS[C@H]2CCCC[C@H]21 ZINC000187798878 426696192 /nfs/dbraw/zinc/69/61/92/426696192.db2.gz CJZINSJXODSMLL-OCCSQVGLSA-N 0 2 322.386 2.801 20 5 DFBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCC(F)(F)CC1 ZINC000291725436 426965162 /nfs/dbraw/zinc/96/51/62/426965162.db2.gz NECNYHVJXKFTBK-UHFFFAOYSA-N 0 2 314.288 2.950 20 5 DFBDLN COCC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCCC1 ZINC000291830206 427000332 /nfs/dbraw/zinc/00/03/32/427000332.db2.gz CBQYGSXQQFGTHX-UHFFFAOYSA-N 0 2 322.361 2.627 20 5 DFBDLN Cc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000181973257 427002189 /nfs/dbraw/zinc/00/21/89/427002189.db2.gz XWHPEGDETBTQPL-UHFFFAOYSA-N 0 2 306.343 2.943 20 5 DFBDLN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccncc1 ZINC000182044248 427009996 /nfs/dbraw/zinc/00/99/96/427009996.db2.gz HQDQRMCESJCRIN-CYBMUJFWSA-N 0 2 301.302 2.577 20 5 DFBDLN COCCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CCCC1 ZINC000182109601 427011866 /nfs/dbraw/zinc/01/18/66/427011866.db2.gz 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