smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)cc1 ZINC000610194762 927897919 /nfs/dbraw/zinc/89/79/19/927897919.db2.gz XPWHIKGMTYBKCM-UHFFFAOYSA-N -1 1 364.423 3.881 20 5 FHBDMM CCc1ccc([C@H]2CCCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000187565479 933003917 /nfs/dbraw/zinc/00/39/17/933003917.db2.gz WYDIZZYVPGOMNY-CQSZACIVSA-N -1 1 359.382 3.608 20 5 FHBDMM CC1=CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000535887985 934713201 /nfs/dbraw/zinc/71/32/01/934713201.db2.gz KWIMPCRSIWTWIL-UHFFFAOYSA-N -1 1 373.434 3.552 20 5 FHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(OC)c(C)cc1C ZINC000478725889 935687758 /nfs/dbraw/zinc/68/77/58/935687758.db2.gz UMERDUQZZHBHAT-UHFFFAOYSA-N -1 1 364.423 3.583 20 5 FHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c2ccccc12 ZINC000135675315 936102654 /nfs/dbraw/zinc/10/26/54/936102654.db2.gz HVJNJYIZUPQKFL-UHFFFAOYSA-N -1 1 372.402 3.866 20 5 FHBDMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000543860130 940393305 /nfs/dbraw/zinc/39/33/05/940393305.db2.gz PRPSGHFECAJOQS-LBPRGKRZSA-N -1 1 364.423 3.918 20 5 FHBDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000182926961 942007208 /nfs/dbraw/zinc/00/72/08/942007208.db2.gz ADUCOKRNUIPSRF-UHFFFAOYSA-N -1 1 357.185 3.685 20 5 FHBDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(F)(F)F ZINC000416591944 942994501 /nfs/dbraw/zinc/99/45/01/942994501.db2.gz IPDWOIXIWGGZBR-MRVPVSSYSA-N -1 1 374.768 3.505 20 5 FHBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1C ZINC000435734010 943587377 /nfs/dbraw/zinc/58/73/77/943587377.db2.gz XLYNVALTYQTPLJ-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM Cc1cc(OCc2nc(-c3ccc([O-])cc3Cl)no2)ccc1[N+](=O)[O-] ZINC000436868854 944734485 /nfs/dbraw/zinc/73/44/85/944734485.db2.gz KTZPTAITOUMDDK-UHFFFAOYSA-N -1 1 361.741 3.891 20 5 FHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000438770584 945010533 /nfs/dbraw/zinc/01/05/33/945010533.db2.gz KPOYKPCMPSKPNJ-UHFFFAOYSA-N -1 1 374.340 3.809 20 5 FHBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000550105295 945875580 /nfs/dbraw/zinc/87/55/80/945875580.db2.gz WGTZNDJWFHAHEH-UHFFFAOYSA-N -1 1 371.368 3.960 20 5 FHBDMM CCCCCc1nnc([N-]C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])s1 ZINC000843772205 947367730 /nfs/dbraw/zinc/36/77/30/947367730.db2.gz RCRFCDMIUSAKFR-UHFFFAOYSA-N -1 1 352.391 3.879 20 5 FHBDMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000541801516 567857160 /nfs/dbraw/zinc/85/71/60/567857160.db2.gz ZUUYAOXQLBHNFL-CYBMUJFWSA-N -1 1 364.423 3.720 20 5 FHBDMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452878207 567874974 /nfs/dbraw/zinc/87/49/74/567874974.db2.gz MPNYWOTVYJJCRR-ZDUSSCGKSA-N -1 1 360.797 3.974 20 5 FHBDMM Cc1ccc(-n2ncc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2C(C)C)cc1 ZINC000481864471 568145125 /nfs/dbraw/zinc/14/51/25/568145125.db2.gz KDPNNZZEOFTFID-UHFFFAOYSA-N -1 1 353.382 3.793 20 5 FHBDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000603986979 568195147 /nfs/dbraw/zinc/19/51/47/568195147.db2.gz FACZJBCTNRNWIV-UHFFFAOYSA-N -1 1 364.423 3.801 20 5 FHBDMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481965578 568200196 /nfs/dbraw/zinc/20/01/96/568200196.db2.gz DYLMLDOBJDXQTK-CYBMUJFWSA-N -1 1 364.423 3.720 20 5 FHBDMM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1C ZINC000568804966 568228713 /nfs/dbraw/zinc/22/87/13/568228713.db2.gz LAXRKVLZSISFKS-UHFFFAOYSA-N -1 1 370.814 3.674 20 5 FHBDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000182011248 568389394 /nfs/dbraw/zinc/38/93/94/568389394.db2.gz NHRUGIIHGOEICK-UHFFFAOYSA-N -1 1 352.268 3.522 20 5 FHBDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2c1cccc2[N+](=O)[O-] ZINC000182042189 568579737 /nfs/dbraw/zinc/57/97/37/568579737.db2.gz NQRDCHWGYYBFCC-UHFFFAOYSA-N -1 1 352.268 3.522 20 5 FHBDMM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(-c4nn[n-]n4)s3)nc2c1 ZINC000823644202 606339719 /nfs/dbraw/zinc/33/97/19/606339719.db2.gz GPMBZNJPHJGEEC-TWGQIWQCSA-N -1 1 374.769 3.715 20 5 FHBDMM C[C@H](Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000820555739 606702480 /nfs/dbraw/zinc/70/24/80/606702480.db2.gz OTKVMGUHRURJRH-QMMMGPOBSA-N -1 1 362.802 3.677 20 5 FHBDMM C[C@H](Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000820555739 606702483 /nfs/dbraw/zinc/70/24/83/606702483.db2.gz OTKVMGUHRURJRH-QMMMGPOBSA-N -1 1 362.802 3.677 20 5 FHBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1c2ccccc2-c2ccccc21 ZINC000187163484 928021607 /nfs/dbraw/zinc/02/16/07/928021607.db2.gz FDLYFWZMLPORRI-UHFFFAOYSA-N -1 1 361.357 3.537 20 5 FHBDMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000263389733 935201376 /nfs/dbraw/zinc/20/13/76/935201376.db2.gz DWCLPEZORDZHIZ-HNNXBMFYSA-N -1 1 364.785 3.947 20 5 FHBDMM CC(C)CN1Cc2cccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)c2C1 ZINC000507298553 945116145 /nfs/dbraw/zinc/11/61/45/945116145.db2.gz FBBQLGFFQULZNV-UHFFFAOYSA-N -1 1 355.394 3.524 20 5 FHBDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C)cc1C ZINC000478679993 935674637 /nfs/dbraw/zinc/67/46/37/935674637.db2.gz FNGHBMOENOPLRC-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM CC1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000479448822 935838968 /nfs/dbraw/zinc/83/89/68/935838968.db2.gz RYUIHHASJCHSQD-UHFFFAOYSA-N -1 1 361.423 3.608 20 5 FHBDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000188600424 940290352 /nfs/dbraw/zinc/29/03/52/940290352.db2.gz JOGCRCFNOQUBKL-UHFFFAOYSA-N -1 1 370.814 3.836 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2F)c(C(F)(F)F)c1 ZINC000161575320 940308038 /nfs/dbraw/zinc/30/80/38/940308038.db2.gz SQSORCXMTSOLBF-UHFFFAOYSA-N -1 1 364.276 3.554 20 5 FHBDMM CCOc1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc(Cl)c1[O-] ZINC000186822905 941057931 /nfs/dbraw/zinc/05/79/31/941057931.db2.gz OYWWEZGSHNQFKQ-UHFFFAOYSA-N -1 1 362.769 3.555 20 5 FHBDMM O=C([O-])[C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000414678908 941434710 /nfs/dbraw/zinc/43/47/10/941434710.db2.gz JXWAGXAQKROHKR-CQSZACIVSA-N -1 1 374.368 3.823 20 5 FHBDMM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000120173711 941676154 /nfs/dbraw/zinc/67/61/54/941676154.db2.gz PAWABKHIVMQCQE-UHFFFAOYSA-N -1 1 350.356 3.566 20 5 FHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)ccc(OCC)c2F)c1 ZINC000549293226 941864373 /nfs/dbraw/zinc/86/43/73/941864373.db2.gz BLFMKSDJHHEJJE-UHFFFAOYSA-N -1 1 366.320 3.923 20 5 FHBDMM COc1ccc(-c2ccc(CN3CCC[C@H](C)[C@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000424414099 943911134 /nfs/dbraw/zinc/91/11/34/943911134.db2.gz GXPZNNWWPMFHHY-SGTLLEGYSA-N -1 1 374.393 3.549 20 5 FHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000515697783 944138888 /nfs/dbraw/zinc/13/88/88/944138888.db2.gz XNQIZJZZLKOSEJ-UHFFFAOYSA-N -1 1 364.423 3.800 20 5 FHBDMM Cc1cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000506851153 944331409 /nfs/dbraw/zinc/33/14/09/944331409.db2.gz LLZWMTXADIHDMM-UHFFFAOYSA-N -1 1 354.815 3.541 20 5 FHBDMM CCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000517491981 944334538 /nfs/dbraw/zinc/33/45/38/944334538.db2.gz GGVQJLRTRFIAOY-UHFFFAOYSA-N -1 1 358.379 3.697 20 5 FHBDMM O=C([O-])[C@@H](CC1CCCC1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426723105 944723620 /nfs/dbraw/zinc/72/36/20/944723620.db2.gz XUKXMHHMGBYVQO-QGZVFWFLSA-N -1 1 358.394 3.978 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000517869485 944746866 /nfs/dbraw/zinc/74/68/66/944746866.db2.gz GQPWMDLXJBSLFL-OAHLLOKOSA-N -1 1 370.427 3.615 20 5 FHBDMM O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436960921 944838302 /nfs/dbraw/zinc/83/83/02/944838302.db2.gz SETWEWDRFGCSKY-UHFFFAOYSA-N -1 1 364.317 3.689 20 5 FHBDMM CC(C)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000549536739 945872278 /nfs/dbraw/zinc/87/22/78/945872278.db2.gz WZBIMMPPXZZONP-LJQANCHMSA-N -1 1 358.394 3.559 20 5 FHBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000444826300 947241260 /nfs/dbraw/zinc/24/12/60/947241260.db2.gz LUTAGNAJRLKJDV-LURJTMIESA-N -1 1 374.155 3.632 20 5 FHBDMM CCOCc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC000541806939 567895775 /nfs/dbraw/zinc/89/57/75/567895775.db2.gz ZGWMQOSRCWSRBN-UHFFFAOYSA-N -1 1 364.423 3.549 20 5 FHBDMM C/C=C/c1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1 ZINC000570426811 568475737 /nfs/dbraw/zinc/47/57/37/568475737.db2.gz BRNHXYYWEZAIRL-ONEGZZNKSA-N -1 1 366.370 3.576 20 5 FHBDMM O=[N+]([O-])c1cccc2ccc(C=Cc3ccc(-c4nn[n-]n4)s3)nc21 ZINC000823648420 606390120 /nfs/dbraw/zinc/39/01/20/606390120.db2.gz WTSFHDVWUUTGQA-SREVYHEPSA-N -1 1 350.363 3.555 20 5 FHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1c(Cl)cccc1Cl ZINC000823630239 607164187 /nfs/dbraw/zinc/16/41/87/607164187.db2.gz SXDSTSLAQXLJNB-UHFFFAOYSA-N -1 1 369.193 3.628 20 5 FHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1c(Cl)cccc1Cl ZINC000823630239 607164188 /nfs/dbraw/zinc/16/41/88/607164188.db2.gz SXDSTSLAQXLJNB-UHFFFAOYSA-N -1 1 369.193 3.628 20 5 FHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2F)cc1OC ZINC000061431452 936349439 /nfs/dbraw/zinc/34/94/39/936349439.db2.gz DPYVYQGVNQVNKR-UHFFFAOYSA-N -1 1 352.293 3.533 20 5 FHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000610193686 927891889 /nfs/dbraw/zinc/89/18/89/927891889.db2.gz DDZKHNXIWMNLIW-UHFFFAOYSA-N -1 1 374.340 3.809 20 5 FHBDMM O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000510139199 929106460 /nfs/dbraw/zinc/10/64/60/929106460.db2.gz IKCBOASIZQFIHX-UHFFFAOYSA-N -1 1 364.333 3.501 20 5 FHBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000471498839 930022928 /nfs/dbraw/zinc/02/29/28/930022928.db2.gz GJTFFTFRFPRPSQ-SECBINFHSA-N -1 1 372.834 3.676 20 5 FHBDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000134687753 933020140 /nfs/dbraw/zinc/02/01/40/933020140.db2.gz FIYYBMZJRVNKPU-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000539446965 935214158 /nfs/dbraw/zinc/21/41/58/935214158.db2.gz PBKQOKAJBSJVGO-UHFFFAOYSA-N -1 1 352.350 3.697 20 5 FHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000582538568 935810223 /nfs/dbraw/zinc/81/02/23/935810223.db2.gz OCIWQPKMQPKWND-UHFFFAOYSA-N -1 1 356.350 3.950 20 5 FHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)C1CC1 ZINC000146627099 938996537 /nfs/dbraw/zinc/99/65/37/938996537.db2.gz LSKMJKUPPKMHBB-OAHLLOKOSA-N -1 1 366.826 3.678 20 5 FHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000188360806 939214086 /nfs/dbraw/zinc/21/40/86/939214086.db2.gz FPSOCYUBGVMUAK-UHFFFAOYSA-N -1 1 361.357 3.518 20 5 FHBDMM CCCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2CC)cc1 ZINC000581856750 940627805 /nfs/dbraw/zinc/62/78/05/940627805.db2.gz MZXNOCCFVJCZEG-UHFFFAOYSA-N -1 1 364.423 3.747 20 5 FHBDMM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000427430436 945355799 /nfs/dbraw/zinc/35/57/99/945355799.db2.gz CBCPSQOOSQXYNP-UHFFFAOYSA-N -1 1 356.382 3.694 20 5 FHBDMM Cc1cc(Br)c([O-])c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000182927574 942008396 /nfs/dbraw/zinc/00/83/96/942008396.db2.gz SNJWGSFUBKQEJW-UHFFFAOYSA-N -1 1 365.183 3.553 20 5 FHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1Cl ZINC000473772034 944407279 /nfs/dbraw/zinc/40/72/79/944407279.db2.gz HYVPGNSFGHRRPH-UHFFFAOYSA-N -1 1 354.815 3.974 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000517869482 944746973 /nfs/dbraw/zinc/74/69/73/944746973.db2.gz GQPWMDLXJBSLFL-HNNXBMFYSA-N -1 1 370.427 3.615 20 5 FHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cnc(Br)s1 ZINC001270145518 944845484 /nfs/dbraw/zinc/84/54/84/944845484.db2.gz XYZOTRQLHYSEGI-UHFFFAOYSA-N -1 1 360.164 3.514 20 5 FHBDMM Cc1ccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)s2)cc1C ZINC000487477792 945893744 /nfs/dbraw/zinc/89/37/44/945893744.db2.gz UVZZRVYAFQVFQC-UHFFFAOYSA-N -1 1 356.407 3.839 20 5 FHBDMM Cc1ccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)s2)cc1F ZINC000487479510 945997209 /nfs/dbraw/zinc/99/72/09/945997209.db2.gz XTNSJLJWMSTNGL-UHFFFAOYSA-N -1 1 360.370 3.670 20 5 FHBDMM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444849688 947261796 /nfs/dbraw/zinc/26/17/96/947261796.db2.gz OBVDUVYQQLNMOA-QMMMGPOBSA-N -1 1 370.192 3.835 20 5 FHBDMM Cc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C ZINC000523734405 947554716 /nfs/dbraw/zinc/55/47/16/947554716.db2.gz RHJHHWOPQYLMEB-GFCCVEGCSA-N -1 1 368.842 3.905 20 5 FHBDMM CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000445271971 947653669 /nfs/dbraw/zinc/65/36/69/947653669.db2.gz GJXRNJQDJUYHPP-LLVKDONJSA-N -1 1 369.381 3.668 20 5 FHBDMM O=C([O-])c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000426710682 597137141 /nfs/dbraw/zinc/13/71/41/597137141.db2.gz XDOQYMHIPZFPQN-UHFFFAOYSA-N -1 1 352.346 3.843 20 5 FHBDMM O=C([O-])[C@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000739505417 599792575 /nfs/dbraw/zinc/79/25/75/599792575.db2.gz NXFZUUFZNGPSPB-CQSZACIVSA-N -1 1 354.284 3.529 20 5 FHBDMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000263500454 604556829 /nfs/dbraw/zinc/55/68/29/604556829.db2.gz KROMNIHNHIXRHV-UHFFFAOYSA-N -1 1 352.774 3.803 20 5 FHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822201181 606467230 /nfs/dbraw/zinc/46/72/30/606467230.db2.gz UVCJVRCKZMBFAX-UHFFFAOYSA-N -1 1 367.152 3.577 20 5 FHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822201181 606467231 /nfs/dbraw/zinc/46/72/31/606467231.db2.gz UVCJVRCKZMBFAX-UHFFFAOYSA-N -1 1 367.152 3.577 20 5 FHBDMM O=[N+]([O-])c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1C(F)(F)F ZINC000826499343 607934631 /nfs/dbraw/zinc/93/46/31/607934631.db2.gz FLGCTDAMGLYBDW-UHFFFAOYSA-N -1 1 369.234 3.725 20 5 FHBDMM O=[N+]([O-])c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1C(F)(F)F ZINC000826499343 607934632 /nfs/dbraw/zinc/93/46/32/607934632.db2.gz FLGCTDAMGLYBDW-UHFFFAOYSA-N -1 1 369.234 3.725 20 5 FHBDMM CSc1cc2c(cc1[N-]C(=O)c1cc([N+](=O)[O-])c(C)s1)OCCO2 ZINC000110117934 937194009 /nfs/dbraw/zinc/19/40/09/937194009.db2.gz HDGQRDWCUBGCHQ-UHFFFAOYSA-N -1 1 366.420 3.710 20 5 FHBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000176635749 937323307 /nfs/dbraw/zinc/32/33/07/937323307.db2.gz RQBHGRNNKQAHEH-UHFFFAOYSA-N -1 1 362.741 3.636 20 5 FHBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000275955230 931102635 /nfs/dbraw/zinc/10/26/35/931102635.db2.gz VALQOVVZIHYJMM-UHFFFAOYSA-N -1 1 354.819 3.958 20 5 FHBDMM O=C([N-]c1cccc(Cl)c1SCC(F)F)c1c[nH]nc1[N+](=O)[O-] ZINC000548419951 933578459 /nfs/dbraw/zinc/57/84/59/933578459.db2.gz XOEAMKNXSBMHJI-UHFFFAOYSA-N -1 1 362.745 3.581 20 5 FHBDMM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000519130146 945156352 /nfs/dbraw/zinc/15/63/52/945156352.db2.gz FZFQWTQUSYIOAG-UHFFFAOYSA-N -1 1 361.361 3.729 20 5 FHBDMM CCCCOc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000511278751 938981186 /nfs/dbraw/zinc/98/11/86/938981186.db2.gz ZJGIQXPRSYRKAL-UHFFFAOYSA-N -1 1 364.423 3.883 20 5 FHBDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(Cl)c1 ZINC000613112017 940452577 /nfs/dbraw/zinc/45/25/77/940452577.db2.gz INRLNFLDZZFYQO-UHFFFAOYSA-N -1 1 358.778 3.805 20 5 FHBDMM O=C([O-])C1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000414641910 943049271 /nfs/dbraw/zinc/04/92/71/943049271.db2.gz UWTUGOHECYQZSK-UHFFFAOYSA-N -1 1 374.368 3.823 20 5 FHBDMM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1c([O-])cccc1F ZINC000092550546 944004009 /nfs/dbraw/zinc/00/40/09/944004009.db2.gz WTBMCRIXBKRQAQ-UHFFFAOYSA-N -1 1 354.721 3.501 20 5 FHBDMM O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000515934704 944354402 /nfs/dbraw/zinc/35/44/02/944354402.db2.gz DJEQIBVNTYSMFL-UHFFFAOYSA-N -1 1 364.317 3.689 20 5 FHBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc2ccccc2cc1[O-] ZINC000436829456 944677238 /nfs/dbraw/zinc/67/72/38/944677238.db2.gz SIBDZXUSLXSBOE-UHFFFAOYSA-N -1 1 350.374 3.768 20 5 FHBDMM O=C([O-])[C@H](CC1CCCC1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426723104 944723385 /nfs/dbraw/zinc/72/33/85/944723385.db2.gz XUKXMHHMGBYVQO-KRWDZBQOSA-N -1 1 358.394 3.978 20 5 FHBDMM Cc1cc([N+](=O)[O-])ccc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426754949 944775234 /nfs/dbraw/zinc/77/52/34/944775234.db2.gz VJUSOIQNOGTBDL-HNNXBMFYSA-N -1 1 352.749 3.611 20 5 FHBDMM CCOc1cc([N-]C(=O)c2cc(C3CC3)no2)c([N+](=O)[O-])cc1OCC ZINC000281484948 945647597 /nfs/dbraw/zinc/64/75/97/945647597.db2.gz POSBMYQLXZNUFU-UHFFFAOYSA-N -1 1 361.354 3.510 20 5 FHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCC1 ZINC000729485464 946270875 /nfs/dbraw/zinc/27/08/75/946270875.db2.gz GSSMVQQEKOCAKK-MRXNPFEDSA-N -1 1 364.398 3.554 20 5 FHBDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])[nH][n-]2)c1 ZINC000444807228 947221766 /nfs/dbraw/zinc/22/17/66/947221766.db2.gz YPCRAAVFPDLLLA-UHFFFAOYSA-N -1 1 374.759 3.760 20 5 FHBDMM CCN(Cc1ccc2ccccc2c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444848107 947258330 /nfs/dbraw/zinc/25/83/30/947258330.db2.gz LGPLYVPFYPLKTH-UHFFFAOYSA-N -1 1 351.362 3.511 20 5 FHBDMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1F ZINC000485102682 948695807 /nfs/dbraw/zinc/69/58/07/948695807.db2.gz RTOWSBXBGAPQOI-UHFFFAOYSA-N -1 1 358.778 3.805 20 5 FHBDMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452890756 567903617 /nfs/dbraw/zinc/90/36/17/567903617.db2.gz VAKXGPOTAZJQRG-ZDUSSCGKSA-N -1 1 360.797 3.974 20 5 FHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000542000406 568379263 /nfs/dbraw/zinc/37/92/63/568379263.db2.gz HSDXNUXIVUYBSU-UHFFFAOYSA-N -1 1 364.423 3.702 20 5 FHBDMM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 ZINC000007417183 568505473 /nfs/dbraw/zinc/50/54/73/568505473.db2.gz NTNJCYXFKYHLFQ-UHFFFAOYSA-N -1 1 370.814 3.756 20 5 FHBDMM CCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000007420208 568505801 /nfs/dbraw/zinc/50/58/01/568505801.db2.gz NYWUAQXJWRYQJP-UHFFFAOYSA-N -1 1 354.815 3.920 20 5 FHBDMM C[C@H](Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736190484 598500554 /nfs/dbraw/zinc/50/05/54/598500554.db2.gz FPTSJHFYYALMND-QMMMGPOBSA-N -1 1 362.802 3.677 20 5 FHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000827058535 601657933 /nfs/dbraw/zinc/65/79/33/601657933.db2.gz IWMSLXDDIHIPHC-LIRRHRJNSA-N -1 1 372.421 3.934 20 5 FHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Cl)c2ccccc12 ZINC000823630285 607162071 /nfs/dbraw/zinc/16/20/71/607162071.db2.gz VVUZDDJZJGSUQK-UHFFFAOYSA-N -1 1 368.740 3.769 20 5 FHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(Cl)c2ccccc12 ZINC000823630285 607162073 /nfs/dbraw/zinc/16/20/73/607162073.db2.gz VVUZDDJZJGSUQK-UHFFFAOYSA-N -1 1 368.740 3.769 20 5 FHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(F)cc2F)cc1OC ZINC000175317734 927988717 /nfs/dbraw/zinc/98/87/17/927988717.db2.gz DBQKHEIINKTIDP-UHFFFAOYSA-N -1 1 370.283 3.672 20 5 FHBDMM O=C([N-]c1nnc(C2CC2)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000610291705 929651041 /nfs/dbraw/zinc/65/10/41/929651041.db2.gz XMHFVTBNMKOOAZ-UHFFFAOYSA-N -1 1 358.301 3.595 20 5 FHBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)c(C)c1 ZINC000134058597 929785622 /nfs/dbraw/zinc/78/56/22/929785622.db2.gz XBCPOBOJKOMAKU-UHFFFAOYSA-N -1 1 370.814 3.674 20 5 FHBDMM CC1CCN(c2ccc(C(=O)Nc3c([O-])cccc3F)cc2[N+](=O)[O-])CC1 ZINC000610339902 930031306 /nfs/dbraw/zinc/03/13/06/930031306.db2.gz ZQOMQFYICRLWIM-UHFFFAOYSA-N -1 1 373.384 3.928 20 5 FHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1C ZINC000048230602 931522158 /nfs/dbraw/zinc/52/21/58/931522158.db2.gz WBLDQQSRVASQJK-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 ZINC000126802448 932559422 /nfs/dbraw/zinc/55/94/22/932559422.db2.gz PHCXJSYTNNTMBZ-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000536077099 938309559 /nfs/dbraw/zinc/30/95/59/938309559.db2.gz YAYIZRZMWYJOKB-UHFFFAOYSA-N -1 1 362.798 3.682 20 5 FHBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000189224248 941154918 /nfs/dbraw/zinc/15/49/18/941154918.db2.gz UIFIMIPNVMDASG-UHFFFAOYSA-N -1 1 360.313 3.500 20 5 FHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)[n-]1 ZINC000504809171 943807382 /nfs/dbraw/zinc/80/73/82/943807382.db2.gz HQXBLZQENUCYNS-UHFFFAOYSA-N -1 1 363.333 3.614 20 5 FHBDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000515699346 944139872 /nfs/dbraw/zinc/13/98/72/944139872.db2.gz MZDFHKKMORDODV-UHFFFAOYSA-N -1 1 364.423 3.801 20 5 FHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)c(C)c1C ZINC000473755937 944364916 /nfs/dbraw/zinc/36/49/16/944364916.db2.gz IXKNTQQDMHZUGD-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc(Cl)c(O)cc1Cl ZINC000436774592 944604101 /nfs/dbraw/zinc/60/41/01/944604101.db2.gz UCVBDAFFVNWSEH-UPHRSURJSA-N -1 1 355.133 3.871 20 5 FHBDMM CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(OCc2ccccc2)cc1 ZINC000440578635 947287039 /nfs/dbraw/zinc/28/70/39/947287039.db2.gz WLNPOAZKABTLKB-UHFFFAOYSA-N -1 1 351.362 3.779 20 5 FHBDMM COc1cc(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)cc([N+](=O)[O-])c1O ZINC000440617590 947377215 /nfs/dbraw/zinc/37/72/15/947377215.db2.gz UHNJBIQNFSOUHQ-GORDUTHDSA-N -1 1 366.329 3.726 20 5 FHBDMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523730247 947550683 /nfs/dbraw/zinc/55/06/83/947550683.db2.gz JERKRNHHQNMBCK-UHFFFAOYSA-N -1 1 364.423 3.800 20 5 FHBDMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452890753 567903816 /nfs/dbraw/zinc/90/38/16/567903816.db2.gz VAKXGPOTAZJQRG-CYBMUJFWSA-N -1 1 360.797 3.974 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000481465216 567967697 /nfs/dbraw/zinc/96/76/97/567967697.db2.gz NLUPJTWUJGUBEP-UMSPYCQHSA-N -1 1 372.855 3.534 20 5 FHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)cc1[N+](=O)[O-] ZINC000481850396 568159455 /nfs/dbraw/zinc/15/94/55/568159455.db2.gz WYOUWPHBNCGEBD-UHFFFAOYSA-N -1 1 371.418 3.869 20 5 FHBDMM COc1c(C)ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000481958948 568196910 /nfs/dbraw/zinc/19/69/10/568196910.db2.gz VADUKSBJFFXBNM-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM Cc1cc2cc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)ccc2[nH]1 ZINC000481974857 568212536 /nfs/dbraw/zinc/21/25/36/568212536.db2.gz TVUZWYXEMXALEG-UHFFFAOYSA-N -1 1 359.407 3.802 20 5 FHBDMM CCOc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)c1 ZINC000481984550 568215481 /nfs/dbraw/zinc/21/54/81/568215481.db2.gz VIFFPUQNVALTIL-UHFFFAOYSA-N -1 1 364.423 3.720 20 5 FHBDMM O=[N+]([O-])c1cnc(Oc2ccc(-c3ccccc3)cc2)c(-c2nnn[n-]2)c1 ZINC000738374947 599325368 /nfs/dbraw/zinc/32/53/68/599325368.db2.gz UPDJOHHTNDVHSV-UHFFFAOYSA-N -1 1 360.333 3.629 20 5 FHBDMM O=[N+]([O-])c1cnc(Oc2ccc(-c3ccccc3)cc2)c(-c2nn[n-]n2)c1 ZINC000738374947 599325370 /nfs/dbraw/zinc/32/53/70/599325370.db2.gz UPDJOHHTNDVHSV-UHFFFAOYSA-N -1 1 360.333 3.629 20 5 FHBDMM O=[N+]([O-])c1cccc2ccc(C=Cc3ccc(-c4nn[n-]n4)s3)nc21 ZINC000823648421 606389966 /nfs/dbraw/zinc/38/99/66/606389966.db2.gz WTSFHDVWUUTGQA-VOTSOKGWSA-N -1 1 350.363 3.555 20 5 FHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1cc(Cl)ccc1Cl ZINC000823629667 607163857 /nfs/dbraw/zinc/16/38/57/607163857.db2.gz DROIVGQPYAVICN-UHFFFAOYSA-N -1 1 369.193 3.628 20 5 FHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1cc(Cl)ccc1Cl ZINC000823629667 607163859 /nfs/dbraw/zinc/16/38/59/607163859.db2.gz DROIVGQPYAVICN-UHFFFAOYSA-N -1 1 369.193 3.628 20 5 FHBDMM O=C(Nc1cc(Br)ccc1[O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000176437710 937162573 /nfs/dbraw/zinc/16/25/73/937162573.db2.gz IGZWTTWRJYIGAC-UHFFFAOYSA-N -1 1 371.574 3.969 20 5 FHBDMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000608875298 928717471 /nfs/dbraw/zinc/71/74/71/928717471.db2.gz LQEMEQQKCDKOHK-ZDUSSCGKSA-N -1 1 364.423 3.720 20 5 FHBDMM O=C(Nc1c([O-])cccc1F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000610339764 930032201 /nfs/dbraw/zinc/03/22/01/930032201.db2.gz LCLCCPHSDUXXHJ-UHFFFAOYSA-N -1 1 359.338 3.815 20 5 FHBDMM C[C@@H]1CCCN(c2ccc(C(=O)Nc3c([O-])cccc3F)cc2[N+](=O)[O-])C1 ZINC000610339804 930032496 /nfs/dbraw/zinc/03/24/96/930032496.db2.gz QULHWPMNFWPZTA-GFCCVEGCSA-N -1 1 373.384 3.928 20 5 FHBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000275735671 930072037 /nfs/dbraw/zinc/07/20/37/930072037.db2.gz BGDFQNWNQGGLRL-UHFFFAOYSA-N -1 1 354.819 3.958 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1 ZINC000050534611 931237366 /nfs/dbraw/zinc/23/73/66/931237366.db2.gz MBSXVEQKUSZPJF-UHFFFAOYSA-N -1 1 371.374 3.583 20 5 FHBDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2)n1 ZINC000126789144 932547604 /nfs/dbraw/zinc/54/76/04/932547604.db2.gz ZKJHOVMWOJJZQW-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c(C)c1C ZINC000091054438 934051574 /nfs/dbraw/zinc/05/15/74/934051574.db2.gz HMDXLWJIENMHGF-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM CC(C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000728591708 938957674 /nfs/dbraw/zinc/95/76/74/938957674.db2.gz KSDCVTUSBDHYCR-UHFFFAOYSA-N -1 1 372.805 3.601 20 5 FHBDMM CCOc1cc([N-]C(=O)c2cc(C(C)C)on2)c([N+](=O)[O-])cc1OCC ZINC000179223378 938993428 /nfs/dbraw/zinc/99/34/28/938993428.db2.gz IGXKRKQMJGGOGU-UHFFFAOYSA-N -1 1 363.370 3.756 20 5 FHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(OCc4ccccc4)n3)no2)[n-]1 ZINC000582561538 940725003 /nfs/dbraw/zinc/72/50/03/940725003.db2.gz RSBUHMPAZAFWGB-UHFFFAOYSA-N -1 1 363.333 3.614 20 5 FHBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180383883 940996374 /nfs/dbraw/zinc/99/63/74/940996374.db2.gz FAVHWMQRPUANFG-UHFFFAOYSA-N -1 1 354.284 3.591 20 5 FHBDMM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1F ZINC000377486135 941758353 /nfs/dbraw/zinc/75/83/53/941758353.db2.gz BMJWTFDFGOIFII-UHFFFAOYSA-N -1 1 356.313 3.653 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc3ccccc32)s1 ZINC000430007538 941804973 /nfs/dbraw/zinc/80/49/73/941804973.db2.gz MTDTYYBCCHHOLM-LSDHHAIUSA-N -1 1 374.443 3.644 20 5 FHBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)c1F ZINC000377561515 941809153 /nfs/dbraw/zinc/80/91/53/941809153.db2.gz CYSYHTNQRQSFEN-UHFFFAOYSA-N -1 1 364.383 3.875 20 5 FHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000103181343 942232587 /nfs/dbraw/zinc/23/25/87/942232587.db2.gz LURVVWYTBYWSPG-UHFFFAOYSA-N -1 1 364.276 3.554 20 5 FHBDMM COc1c(C)cc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1C ZINC000473768188 944394380 /nfs/dbraw/zinc/39/43/80/944394380.db2.gz WPPWTZWQHSDEDK-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)c(C)c1 ZINC000473771594 944419624 /nfs/dbraw/zinc/41/96/24/944419624.db2.gz DRBXGBSIFFRZGQ-UHFFFAOYSA-N -1 1 364.423 3.720 20 5 FHBDMM CSCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000517592839 944424550 /nfs/dbraw/zinc/42/45/50/944424550.db2.gz FGLBSRUKEDQAMF-UHFFFAOYSA-N -1 1 352.437 3.567 20 5 FHBDMM O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000516069732 944478303 /nfs/dbraw/zinc/47/83/03/944478303.db2.gz FAZVCNGHMQTYDA-UHFFFAOYSA-N -1 1 374.372 3.833 20 5 FHBDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000436750543 944590129 /nfs/dbraw/zinc/59/01/29/944590129.db2.gz GMZVLLWHFYPCSE-UHFFFAOYSA-N -1 1 366.295 3.518 20 5 FHBDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000432065205 944972496 /nfs/dbraw/zinc/97/24/96/944972496.db2.gz XJOIFZCDJOUUNI-UHFFFAOYSA-N -1 1 368.798 3.560 20 5 FHBDMM Cc1cccc(C(C)(C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000522972004 946169831 /nfs/dbraw/zinc/16/98/31/946169831.db2.gz KZLBICQNEPIFAW-UHFFFAOYSA-N -1 1 368.842 3.770 20 5 FHBDMM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444997860 947392374 /nfs/dbraw/zinc/39/23/74/947392374.db2.gz QBGAEOCHRYKKEY-CXAGYDPISA-N -1 1 355.394 3.617 20 5 FHBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[nH]n1 ZINC000541784968 567833136 /nfs/dbraw/zinc/83/31/36/567833136.db2.gz OOIGFGNMUUJSNK-NSHDSACASA-N -1 1 366.443 3.639 20 5 FHBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000481600190 568061583 /nfs/dbraw/zinc/06/15/83/568061583.db2.gz RCVRYGFQXJCDHH-UHFFFAOYSA-N -1 1 354.815 3.974 20 5 FHBDMM O=[N+]([O-])c1cnc(Sc2ccc(Cl)c(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000823651437 599078154 /nfs/dbraw/zinc/07/81/54/599078154.db2.gz JQIWMZJVHMUQDG-UHFFFAOYSA-N -1 1 369.193 3.628 20 5 FHBDMM Cc1c(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000593746573 600325403 /nfs/dbraw/zinc/32/54/03/600325403.db2.gz MASAWSQEWYCQJA-UHFFFAOYSA-N -1 1 364.348 3.658 20 5 FHBDMM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000263421149 604524729 /nfs/dbraw/zinc/52/47/29/604524729.db2.gz OXLVVHPHYGVNRV-CQSZACIVSA-N -1 1 350.758 3.557 20 5 FHBDMM CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(C)(C)C(=O)[O-] ZINC000833694265 604627771 /nfs/dbraw/zinc/62/77/71/604627771.db2.gz NKHDPTMJCUYIME-UHFFFAOYSA-N -1 1 352.774 3.803 20 5 FHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(-c2cccs2)c1 ZINC000823624741 606707450 /nfs/dbraw/zinc/70/74/50/606707450.db2.gz HZCVUWXAZLXENG-UHFFFAOYSA-N -1 1 365.378 3.642 20 5 FHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(-c2cccs2)c1 ZINC000823624741 606707451 /nfs/dbraw/zinc/70/74/51/606707451.db2.gz HZCVUWXAZLXENG-UHFFFAOYSA-N -1 1 365.378 3.642 20 5 FHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000610194308 927900420 /nfs/dbraw/zinc/90/04/20/927900420.db2.gz YOBCBSRFQHGQPI-UHFFFAOYSA-N -1 1 374.340 3.809 20 5 FHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1C ZINC000579883957 929616531 /nfs/dbraw/zinc/61/65/31/929616531.db2.gz GTNWLPYEDDXZCT-UHFFFAOYSA-N -1 1 358.778 3.805 20 5 FHBDMM COc1c([O-])c(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)ccc1[N+](=O)[O-] ZINC000278203455 937350805 /nfs/dbraw/zinc/35/08/05/937350805.db2.gz SFTGRZQGIMPAPA-UHFFFAOYSA-N -1 1 373.390 3.565 20 5 FHBDMM O=C(Nc1c([O-])cccc1F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000610339834 930031982 /nfs/dbraw/zinc/03/19/82/930031982.db2.gz VNQRCQAXVALUQQ-UHFFFAOYSA-N -1 1 359.338 3.815 20 5 FHBDMM CC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc1-c1ccccc1 ZINC000471694280 932638225 /nfs/dbraw/zinc/63/82/25/932638225.db2.gz UAVJASSMSJQAIK-UHFFFAOYSA-N -1 1 356.363 3.501 20 5 FHBDMM CCCN(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000263407073 935199168 /nfs/dbraw/zinc/19/91/68/935199168.db2.gz KGLNVKGYWYRQCH-UHFFFAOYSA-N -1 1 352.774 3.805 20 5 FHBDMM CCOc1cc([N-]C(=O)c2coc(C3CC3)n2)c([N+](=O)[O-])cc1OCC ZINC000614395044 939909000 /nfs/dbraw/zinc/90/90/00/939909000.db2.gz QKVQLOIOKKAVNC-UHFFFAOYSA-N -1 1 361.354 3.510 20 5 FHBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2CC)cc1C ZINC000582273876 940663519 /nfs/dbraw/zinc/66/35/19/940663519.db2.gz OIRXJVIWTKWNST-UHFFFAOYSA-N -1 1 364.423 3.665 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1 ZINC000175776431 940926247 /nfs/dbraw/zinc/92/62/47/940926247.db2.gz DKCLZNPMNBMUIE-UHFFFAOYSA-N -1 1 374.340 3.891 20 5 FHBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000189270027 941154473 /nfs/dbraw/zinc/15/44/73/941154473.db2.gz UOWAEBNRRZQGAB-UHFFFAOYSA-N -1 1 370.814 3.674 20 5 FHBDMM Cc1nc2cc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc2s1 ZINC000782964801 941348000 /nfs/dbraw/zinc/34/80/00/941348000.db2.gz LXYRZQGBMWOXQP-UHFFFAOYSA-N -1 1 369.449 3.722 20 5 FHBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC(F)F ZINC000513381241 941876719 /nfs/dbraw/zinc/87/67/19/941876719.db2.gz AHWGNEQOSQHPKA-UHFFFAOYSA-N -1 1 372.349 3.614 20 5 FHBDMM CCSc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000505282339 942443289 /nfs/dbraw/zinc/44/32/89/942443289.db2.gz YLQHKBUOTFSUSO-UHFFFAOYSA-N -1 1 352.437 3.816 20 5 FHBDMM CC(C)Oc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000434553138 942752132 /nfs/dbraw/zinc/75/21/32/942752132.db2.gz FCPIJQQYMLLPDL-UHFFFAOYSA-N -1 1 368.187 3.725 20 5 FHBDMM O=C([N-]c1nnc(C2CC2)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549464387 943339602 /nfs/dbraw/zinc/33/96/02/943339602.db2.gz YKHSLXODBCDZRR-UHFFFAOYSA-N -1 1 358.301 3.595 20 5 FHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1[N+](=O)[O-] ZINC000517257886 944152464 /nfs/dbraw/zinc/15/24/64/944152464.db2.gz IZUYREIIEYINQI-UHFFFAOYSA-N -1 1 358.778 3.805 20 5 FHBDMM COc1c(Br)cc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000515786231 944212288 /nfs/dbraw/zinc/21/22/88/944212288.db2.gz GREDTWZBSOFHLW-UHFFFAOYSA-N -1 1 374.578 3.600 20 5 FHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000509597002 944761331 /nfs/dbraw/zinc/76/13/31/944761331.db2.gz WWEIMSHTEMTQBT-UHFFFAOYSA-N -1 1 356.350 3.896 20 5 FHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000438770397 945010036 /nfs/dbraw/zinc/01/00/36/945010036.db2.gz ZROQYPMCFWGGCI-UHFFFAOYSA-N -1 1 374.340 3.809 20 5 FHBDMM Cc1nc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])sc1C ZINC000444829205 947242972 /nfs/dbraw/zinc/24/29/72/947242972.db2.gz VBQVGMOLRLYLLT-UHFFFAOYSA-N -1 1 362.230 3.744 20 5 FHBDMM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000523418968 947249254 /nfs/dbraw/zinc/24/92/54/947249254.db2.gz LTUZJAOERYJHPI-GFCCVEGCSA-N -1 1 368.842 3.639 20 5 FHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000445189692 947582085 /nfs/dbraw/zinc/58/20/85/947582085.db2.gz SXNDYGDSDDNRCF-UHFFFAOYSA-N -1 1 363.373 3.653 20 5 FHBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000432352403 948198034 /nfs/dbraw/zinc/19/80/34/948198034.db2.gz XOOZVPDUDZVRPD-UHFFFAOYSA-N -1 1 369.402 3.599 20 5 FHBDMM Cc1cc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1Br ZINC000569773325 568422995 /nfs/dbraw/zinc/42/29/95/568422995.db2.gz SPYUPLQBIUOKFB-UHFFFAOYSA-N -1 1 363.171 3.635 20 5 FHBDMM CN(C)Cc1cc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])ccc1F ZINC000737367664 600623761 /nfs/dbraw/zinc/62/37/61/600623761.db2.gz BJOJWZMCZWRJPN-YVMONPNESA-N -1 1 373.384 3.505 20 5 FHBDMM C[C@H](Oc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)C(=O)[O-] ZINC000833537007 604535028 /nfs/dbraw/zinc/53/50/28/604535028.db2.gz FWQQDHXDWTWYBC-AWEZNQCLSA-N -1 1 370.405 3.611 20 5 FHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc2c(c1)[nH]c1ccccc12 ZINC000823629815 607164221 /nfs/dbraw/zinc/16/42/21/607164221.db2.gz IIGNEQGFJGILCQ-UHFFFAOYSA-N -1 1 373.332 3.597 20 5 FHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc2c(c1)[nH]c1ccccc12 ZINC000823629815 607164222 /nfs/dbraw/zinc/16/42/22/607164222.db2.gz IIGNEQGFJGILCQ-UHFFFAOYSA-N -1 1 373.332 3.597 20 5 FHBDMM Cc1ccc(-c2nc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cs2)n1C ZINC000120267929 927925649 /nfs/dbraw/zinc/92/56/49/927925649.db2.gz WXZULUXLVJFHFS-UHFFFAOYSA-N -1 1 360.370 3.757 20 5 FHBDMM CCC(CC)c1cc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)on1 ZINC000175993998 933074755 /nfs/dbraw/zinc/07/47/55/933074755.db2.gz WBRPTDFJBWZIHZ-UHFFFAOYSA-N -1 1 370.369 3.524 20 5 FHBDMM CCc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1[N+](=O)[O-] ZINC000472500719 940439941 /nfs/dbraw/zinc/43/99/41/940439941.db2.gz NDAKYBSLACMIGR-UHFFFAOYSA-N -1 1 352.350 3.505 20 5 FHBDMM CCC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000433596687 941782867 /nfs/dbraw/zinc/78/28/67/941782867.db2.gz PJBSSQBIUJYKHD-UHFFFAOYSA-N -1 1 362.407 3.605 20 5 FHBDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2)o1 ZINC000066814863 942691852 /nfs/dbraw/zinc/69/18/52/942691852.db2.gz UBLBYXRBMWPOBH-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000053208165 943344671 /nfs/dbraw/zinc/34/46/71/943344671.db2.gz BJGWCLKSYMCUBS-UHFFFAOYSA-N -1 1 350.743 3.612 20 5 FHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)[n-]1 ZINC000504809536 943806652 /nfs/dbraw/zinc/80/66/52/943806652.db2.gz KHWNWZDUAWJZCN-UHFFFAOYSA-N -1 1 363.333 3.614 20 5 FHBDMM CC(C)(C)c1nc2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2[nH]1 ZINC000505741526 943924638 /nfs/dbraw/zinc/92/46/38/943924638.db2.gz GMCKBTFLUVPAQQ-UHFFFAOYSA-N -1 1 354.366 3.727 20 5 FHBDMM CCSc1nnc([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000439206355 944422483 /nfs/dbraw/zinc/42/24/83/944422483.db2.gz QHIRNLJQBOTECX-UHFFFAOYSA-N -1 1 358.832 3.772 20 5 FHBDMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ccc([N+](=O)[O-])cc1Cl ZINC000107197767 945517789 /nfs/dbraw/zinc/51/77/89/945517789.db2.gz CNYWIGTZIBNJKJ-UHFFFAOYSA-N -1 1 374.809 3.943 20 5 FHBDMM Cc1cccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C ZINC000523734406 947554629 /nfs/dbraw/zinc/55/46/29/947554629.db2.gz RHJHHWOPQYLMEB-LBPRGKRZSA-N -1 1 368.842 3.905 20 5 FHBDMM CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000445271976 947653701 /nfs/dbraw/zinc/65/37/01/947653701.db2.gz GJXRNJQDJUYHPP-NSHDSACASA-N -1 1 369.381 3.668 20 5 FHBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436674069 568291024 /nfs/dbraw/zinc/29/10/24/568291024.db2.gz GSZVMNWRHDMXQC-UHFFFAOYSA-N -1 1 368.311 3.634 20 5 FHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000570493115 568488318 /nfs/dbraw/zinc/48/83/18/568488318.db2.gz HAXRUSFCKRLRKD-UHFFFAOYSA-N -1 1 370.814 3.620 20 5 FHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(Nc2ccccc2)c1 ZINC000823624560 607163389 /nfs/dbraw/zinc/16/33/89/607163389.db2.gz COXRLLSYIMUOJS-UHFFFAOYSA-N -1 1 374.364 3.657 20 5 FHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(Nc2ccccc2)c1 ZINC000823624560 607163390 /nfs/dbraw/zinc/16/33/90/607163390.db2.gz COXRLLSYIMUOJS-UHFFFAOYSA-N -1 1 374.364 3.657 20 5 FHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000134047802 929749144 /nfs/dbraw/zinc/74/91/44/929749144.db2.gz KUKAVFAUUQQJPQ-UHFFFAOYSA-N -1 1 374.422 3.635 20 5 FHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000134066329 929832903 /nfs/dbraw/zinc/83/29/03/929832903.db2.gz BKWQPWOUDFWNOU-UHFFFAOYSA-N -1 1 362.741 3.636 20 5 FHBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[nH]n1 ZINC000471508232 930087550 /nfs/dbraw/zinc/08/75/50/930087550.db2.gz ORGBXTZJZFLRKD-JTQLQIEISA-N -1 1 366.443 3.639 20 5 FHBDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000134683535 932959939 /nfs/dbraw/zinc/95/99/39/932959939.db2.gz ZHGRPCLPMYFCFD-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c(F)c1 ZINC000135636926 936051524 /nfs/dbraw/zinc/05/15/24/936051524.db2.gz RZSQRCQKZSHDOJ-UHFFFAOYSA-N -1 1 365.169 3.842 20 5 FHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)C)CC2)cc1F ZINC001211593933 938360348 /nfs/dbraw/zinc/36/03/48/938360348.db2.gz AOENIUFIKXOGAW-ZIAGYGMSSA-N -1 1 372.462 3.926 20 5 FHBDMM O=c1cc(C2CC2)nc(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[n-]1 ZINC000189439382 941159865 /nfs/dbraw/zinc/15/98/65/941159865.db2.gz YASVYMYQDQDCCB-UHFFFAOYSA-N -1 1 370.390 3.915 20 5 FHBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000085590275 941164690 /nfs/dbraw/zinc/16/46/90/941164690.db2.gz MONIJMVSCIJLII-UHFFFAOYSA-N -1 1 351.156 3.624 20 5 FHBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2Oc2ccccc2)n1 ZINC000503152504 943009576 /nfs/dbraw/zinc/00/95/76/943009576.db2.gz ODAVTROKAGLOIK-UHFFFAOYSA-N -1 1 356.313 3.512 20 5 FHBDMM CCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000515695451 944137275 /nfs/dbraw/zinc/13/72/75/944137275.db2.gz BIPFJCBBNHTAHJ-UHFFFAOYSA-N -1 1 364.423 3.801 20 5 FHBDMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000426729063 944736682 /nfs/dbraw/zinc/73/66/82/944736682.db2.gz ZPKZWUDEWVFGJW-HNNXBMFYSA-N -1 1 352.749 3.611 20 5 FHBDMM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000516341912 944744461 /nfs/dbraw/zinc/74/44/61/944744461.db2.gz DQRFQOMSTSFNEV-LBPRGKRZSA-N -1 1 368.842 3.548 20 5 FHBDMM COc1ccccc1[C@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426784216 944801285 /nfs/dbraw/zinc/80/12/85/944801285.db2.gz PVISZWZCHVDNSH-SFHVURJKSA-N -1 1 358.394 3.642 20 5 FHBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(OCc2ccccc2)c1 ZINC000439868474 945042453 /nfs/dbraw/zinc/04/24/53/945042453.db2.gz FTUIISDRJWYKSA-UHFFFAOYSA-N -1 1 367.361 3.763 20 5 FHBDMM CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000445218642 947618621 /nfs/dbraw/zinc/61/86/21/947618621.db2.gz RDAHOPCVPSVGDO-HNNXBMFYSA-N -1 1 369.421 3.524 20 5 FHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000568404468 568030921 /nfs/dbraw/zinc/03/09/21/568030921.db2.gz SZHLJCDWAQWVQX-UHFFFAOYSA-N -1 1 372.421 3.511 20 5 FHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000481949143 568195313 /nfs/dbraw/zinc/19/53/13/568195313.db2.gz BCRLNFGHNRPAPD-UHFFFAOYSA-N -1 1 356.350 3.950 20 5 FHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1C(F)(F)F ZINC000541998332 568382056 /nfs/dbraw/zinc/38/20/56/568382056.db2.gz CNGULUHNJLAELK-UHFFFAOYSA-N -1 1 360.313 3.723 20 5 FHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(Nc2ccccc2)cc1 ZINC000823624501 607161900 /nfs/dbraw/zinc/16/19/00/607161900.db2.gz ANAFNZBKGAFDAW-UHFFFAOYSA-N -1 1 374.364 3.657 20 5 FHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(Nc2ccccc2)cc1 ZINC000823624501 607161902 /nfs/dbraw/zinc/16/19/02/607161902.db2.gz ANAFNZBKGAFDAW-UHFFFAOYSA-N -1 1 374.364 3.657 20 5 FHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cs1 ZINC000120240827 927833897 /nfs/dbraw/zinc/83/38/97/927833897.db2.gz SSCZANAUCNRUCV-UHFFFAOYSA-N -1 1 370.305 3.615 20 5 FHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000187166243 928243794 /nfs/dbraw/zinc/24/37/94/928243794.db2.gz QAPDQNKYIYPCDN-UHFFFAOYSA-N -1 1 374.777 3.505 20 5 FHBDMM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000548147070 931357236 /nfs/dbraw/zinc/35/72/36/931357236.db2.gz SKTQIGMAUSMKRC-NSHDSACASA-N -1 1 374.768 3.566 20 5 FHBDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000072027105 935217631 /nfs/dbraw/zinc/21/76/31/935217631.db2.gz QDSOBJLCUQVQMF-UHFFFAOYSA-N -1 1 372.402 3.948 20 5 FHBDMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3C)cc2s1 ZINC000427106269 945090147 /nfs/dbraw/zinc/09/01/47/945090147.db2.gz DICHCYBSILKMKX-UHFFFAOYSA-N -1 1 363.420 3.622 20 5 FHBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[nH]n1 ZINC000479129433 935800368 /nfs/dbraw/zinc/80/03/68/935800368.db2.gz PZRZQPNXUALSLT-SNVBAGLBSA-N -1 1 366.443 3.639 20 5 FHBDMM CC(C)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001211553345 935916068 /nfs/dbraw/zinc/91/60/68/935916068.db2.gz WNTQRPPTYXIXGA-UHFFFAOYSA-N -1 1 369.270 3.862 20 5 FHBDMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c([N+](=O)[O-])c3)cc2)co1 ZINC000135602365 936015362 /nfs/dbraw/zinc/01/53/62/936015362.db2.gz ZSYYNZMDAKCBBC-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000135630908 936038469 /nfs/dbraw/zinc/03/84/69/936038469.db2.gz QYBKARCHJQTWPK-UHFFFAOYSA-N -1 1 365.169 3.842 20 5 FHBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000516787859 945241214 /nfs/dbraw/zinc/24/12/14/945241214.db2.gz SNNYLVUPPGIULD-OAHLLOKOSA-N -1 1 368.842 3.924 20 5 FHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189224408 941154886 /nfs/dbraw/zinc/15/48/86/941154886.db2.gz KDZBNARTLYWNSS-UHFFFAOYSA-N -1 1 374.340 3.809 20 5 FHBDMM COc1ccc(-c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)cn1 ZINC000513339949 941853528 /nfs/dbraw/zinc/85/35/28/941853528.db2.gz XGJLOMZIFMYRAT-UHFFFAOYSA-N -1 1 352.350 3.554 20 5 FHBDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)o1 ZINC000066814687 942526796 /nfs/dbraw/zinc/52/67/96/942526796.db2.gz IZFQRSONRVGUQU-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000516939282 943846960 /nfs/dbraw/zinc/84/69/60/943846960.db2.gz STAXGYYZWGGLQP-NRUUGDAUSA-N -1 1 360.332 3.687 20 5 FHBDMM CCOc1ccc(F)c([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])c1F ZINC000436039612 943964157 /nfs/dbraw/zinc/96/41/57/943964157.db2.gz ZGYLYIFRUALVHR-UHFFFAOYSA-N -1 1 352.293 3.533 20 5 FHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000436167596 944070078 /nfs/dbraw/zinc/07/00/78/944070078.db2.gz GUYFAYYHMSZUMB-UHFFFAOYSA-N -1 1 356.350 3.816 20 5 FHBDMM O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505792475 944193680 /nfs/dbraw/zinc/19/36/80/944193680.db2.gz HMMRPAOIIHQIOI-UHFFFAOYSA-N -1 1 364.317 3.689 20 5 FHBDMM Cc1cc(-c2nc(C(=O)[N-]c3c(C)c([N+](=O)[O-])ccc3F)co2)ccn1 ZINC001270144725 944819114 /nfs/dbraw/zinc/81/91/14/944819114.db2.gz ODPNMTWZRCHPRQ-UHFFFAOYSA-N -1 1 356.313 3.653 20 5 FHBDMM CCc1csc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000445187442 947578614 /nfs/dbraw/zinc/57/86/14/947578614.db2.gz NBWDQFYKNOHBKI-UHFFFAOYSA-N -1 1 362.230 3.690 20 5 FHBDMM CN(Cc1nc(-c2ccc([O-])cc2Cl)no1)c1ccccc1[N+](=O)[O-] ZINC000445450380 948811263 /nfs/dbraw/zinc/81/12/63/948811263.db2.gz YGGFFUIAOAYAEC-UHFFFAOYSA-N -1 1 360.757 3.640 20 5 FHBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436629884 568107822 /nfs/dbraw/zinc/10/78/22/568107822.db2.gz LPEWWXIBGVFGAZ-UHFFFAOYSA-N -1 1 350.374 3.768 20 5 FHBDMM O=C([O-])c1ccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000426690855 597134869 /nfs/dbraw/zinc/13/48/69/597134869.db2.gz CYNSUPQEFYACEM-UHFFFAOYSA-N -1 1 352.346 3.843 20 5 FHBDMM O=[N+]([O-])c1cnc(SCc2cccc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738374981 598501449 /nfs/dbraw/zinc/50/14/49/598501449.db2.gz WNWSFVPMRLLEJS-UHFFFAOYSA-N -1 1 364.390 3.615 20 5 FHBDMM O=C([O-])[C@@H](NCc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833169881 601973913 /nfs/dbraw/zinc/97/39/13/601973913.db2.gz MQCQCLQCKWPLEF-AWEZNQCLSA-N -1 1 355.177 3.817 20 5 FHBDMM O=C([O-])CN(Cc1ccc(F)c(F)c1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833249189 604789895 /nfs/dbraw/zinc/78/98/95/604789895.db2.gz JZAHGTYDWXBEFN-UHFFFAOYSA-N -1 1 370.739 3.613 20 5 FHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176433589 937166468 /nfs/dbraw/zinc/16/64/68/937166468.db2.gz MJWBMIYDSZABLQ-UHFFFAOYSA-N -1 1 351.156 3.624 20 5 FHBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000176635720 937323286 /nfs/dbraw/zinc/32/32/86/937323286.db2.gz LXLQWFSRMASAQN-UHFFFAOYSA-N -1 1 362.741 3.636 20 5 FHBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000471498840 930022604 /nfs/dbraw/zinc/02/26/04/930022604.db2.gz GJTFFTFRFPRPSQ-VIFPVBQESA-N -1 1 372.834 3.676 20 5 FHBDMM CCOc1cc(CSc2nc(C(F)F)cc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000562028999 935365205 /nfs/dbraw/zinc/36/52/05/935365205.db2.gz BJOPHWZPUVKXMW-UHFFFAOYSA-N -1 1 357.338 3.719 20 5 FHBDMM CCCCn1ccnc1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000478611967 935665070 /nfs/dbraw/zinc/66/50/70/935665070.db2.gz QJODABHMEIFKJC-UHFFFAOYSA-N -1 1 353.382 3.839 20 5 FHBDMM CCCc1coc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000584121109 938608799 /nfs/dbraw/zinc/60/87/99/938608799.db2.gz ALDJRTKYGWNNJD-UHFFFAOYSA-N -1 1 360.189 3.612 20 5 FHBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC000188272034 939125990 /nfs/dbraw/zinc/12/59/90/939125990.db2.gz DWDNJUHUQBKLMS-NSHDSACASA-N -1 1 355.350 3.665 20 5 FHBDMM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)s1 ZINC000516783708 945236473 /nfs/dbraw/zinc/23/64/73/945236473.db2.gz AGGPNDNLOOPBPG-SECBINFHSA-N -1 1 374.871 3.966 20 5 FHBDMM COc1ccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cc1[N+](=O)[O-] ZINC000582160955 940651883 /nfs/dbraw/zinc/65/18/83/940651883.db2.gz KTTABMABLKGEOQ-UHFFFAOYSA-N -1 1 361.741 3.603 20 5 FHBDMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000433592112 941780935 /nfs/dbraw/zinc/78/09/35/941780935.db2.gz FHYAPHSRKIBKGL-UHFFFAOYSA-N -1 1 362.407 3.605 20 5 FHBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000182932110 942010481 /nfs/dbraw/zinc/01/04/81/942010481.db2.gz JZKKLUMUKJHQOL-UHFFFAOYSA-N -1 1 365.183 3.932 20 5 FHBDMM O=c1cc(C(F)(F)F)nc(SCc2nc3cc([N+](=O)[O-])ccc3o2)[n-]1 ZINC000434791547 942969903 /nfs/dbraw/zinc/96/99/03/942969903.db2.gz AKVBHSGCOOOSPH-UHFFFAOYSA-N -1 1 372.284 3.543 20 5 FHBDMM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000435972507 943896792 /nfs/dbraw/zinc/89/67/92/943896792.db2.gz LSJLZBZNRHYEFG-UHFFFAOYSA-N -1 1 364.423 3.529 20 5 FHBDMM COc1ccc(-c2ccc(CN3CCC[C@H](C)[C@@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000424414093 943911120 /nfs/dbraw/zinc/91/11/20/943911120.db2.gz GXPZNNWWPMFHHY-KPZWWZAWSA-N -1 1 374.393 3.549 20 5 FHBDMM Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n1 ZINC000515763548 944175026 /nfs/dbraw/zinc/17/50/26/944175026.db2.gz ANKBCZKMHQEQIT-UHFFFAOYSA-N -1 1 369.406 3.733 20 5 FHBDMM O=[N+]([O-])c1ccc(O)cc1CSc1n[n-]c(=NC2CCCCC2)s1 ZINC000436473234 944354523 /nfs/dbraw/zinc/35/45/23/944354523.db2.gz FVSOAIAYYADNOP-UHFFFAOYSA-N -1 1 366.468 3.611 20 5 FHBDMM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000505870403 944559164 /nfs/dbraw/zinc/55/91/64/944559164.db2.gz WTTUTINNKGTHIK-UHFFFAOYSA-N -1 1 363.679 3.770 20 5 FHBDMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000436735688 944565528 /nfs/dbraw/zinc/56/55/28/944565528.db2.gz MKNOIJKWSBPNQB-VIFPVBQESA-N -1 1 365.183 3.554 20 5 FHBDMM CC(C)CN1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])c2C1 ZINC000436999789 944917444 /nfs/dbraw/zinc/91/74/44/944917444.db2.gz LWJJXKOFZNZDQG-UHFFFAOYSA-N -1 1 355.394 3.524 20 5 FHBDMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000511740121 944974929 /nfs/dbraw/zinc/97/49/29/944974929.db2.gz UIWJAQOWVALNQT-LBPRGKRZSA-N -1 1 364.423 3.881 20 5 FHBDMM Cc1ccc(Cc2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3F)s2)cc1 ZINC000108248636 945897200 /nfs/dbraw/zinc/89/72/00/945897200.db2.gz CFRQSIGHSVPFPL-UHFFFAOYSA-N -1 1 372.381 3.737 20 5 FHBDMM O=C(c1ccc(Cl)cc1[O-])N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000436586618 567946657 /nfs/dbraw/zinc/94/66/57/567946657.db2.gz BVSSHKJWWKZCAO-MRXNPFEDSA-N -1 1 364.810 3.842 20 5 FHBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436629339 568104063 /nfs/dbraw/zinc/10/40/63/568104063.db2.gz KIVOYUYYELIHIH-UHFFFAOYSA-N -1 1 350.374 3.768 20 5 FHBDMM CC[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000820925127 606644734 /nfs/dbraw/zinc/64/47/34/606644734.db2.gz DSGGHZSRCGOBSO-AWEZNQCLSA-N -1 1 358.789 3.992 20 5 FHBDMM CCOc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1C ZINC000540206737 935379318 /nfs/dbraw/zinc/37/93/18/935379318.db2.gz WRJVCMZIKCRBMO-UHFFFAOYSA-N -1 1 364.423 3.720 20 5 FHBDMM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188240549 939073113 /nfs/dbraw/zinc/07/31/13/939073113.db2.gz OZUPHALWELPYPB-UHFFFAOYSA-N -1 1 370.192 3.665 20 5 FHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000427312984 945278143 /nfs/dbraw/zinc/27/81/43/945278143.db2.gz LBNLXGWZHBYFPH-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000612628088 940189708 /nfs/dbraw/zinc/18/97/08/940189708.db2.gz OUBPSUWXKBHDRC-UHFFFAOYSA-N -1 1 372.768 3.905 20 5 FHBDMM CCOc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c(C)c1 ZINC000180160380 940721094 /nfs/dbraw/zinc/72/10/94/940721094.db2.gz BRGJZFBEZUHZFD-UHFFFAOYSA-N -1 1 364.423 3.720 20 5 FHBDMM O=C(Nc1cc(Br)ccc1NC1CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000469088734 941802668 /nfs/dbraw/zinc/80/26/68/941802668.db2.gz VUCMZZMAJRVPDX-UHFFFAOYSA-N -1 1 365.187 3.512 20 5 FHBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1OC(F)F ZINC000513394083 941888964 /nfs/dbraw/zinc/88/89/64/941888964.db2.gz FZTUKNXGJMOEDA-UHFFFAOYSA-N -1 1 372.349 3.614 20 5 FHBDMM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc([O-])ccc1Cl ZINC000513741444 942347899 /nfs/dbraw/zinc/34/78/99/942347899.db2.gz NGKYOVLWRPCPOU-UHFFFAOYSA-N -1 1 371.574 3.969 20 5 FHBDMM CCCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000515697006 944138258 /nfs/dbraw/zinc/13/82/58/944138258.db2.gz JAINWIIOEZKFLJ-UHFFFAOYSA-N -1 1 364.423 3.801 20 5 FHBDMM Cc1nn([C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1[N+](=O)[O-] ZINC000436475131 944355778 /nfs/dbraw/zinc/35/57/78/944355778.db2.gz RTXINGRGVAXXJE-SECBINFHSA-N -1 1 371.378 3.679 20 5 FHBDMM Cc1cc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc(C)c1F ZINC000473761420 944371994 /nfs/dbraw/zinc/37/19/94/944371994.db2.gz DUOKXTRGMCJADI-UHFFFAOYSA-N -1 1 352.387 3.768 20 5 FHBDMM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000473778220 944425592 /nfs/dbraw/zinc/42/55/92/944425592.db2.gz UDDJEVSWSKNIFY-UHFFFAOYSA-N -1 1 364.423 3.801 20 5 FHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000500320575 944511132 /nfs/dbraw/zinc/51/11/32/944511132.db2.gz ZPKFZFDNRRUFMJ-UHFFFAOYSA-N -1 1 360.313 3.723 20 5 FHBDMM C[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000436795487 944648399 /nfs/dbraw/zinc/64/83/99/944648399.db2.gz FVLZIVDYSWEWHH-SECBINFHSA-N -1 1 365.183 3.554 20 5 FHBDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000426729064 944736612 /nfs/dbraw/zinc/73/66/12/944736612.db2.gz ZPKZWUDEWVFGJW-OAHLLOKOSA-N -1 1 352.749 3.611 20 5 FHBDMM O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000506627534 944783754 /nfs/dbraw/zinc/78/37/54/944783754.db2.gz XIHMCZCVZFSVGP-UHFFFAOYSA-N -1 1 361.251 3.646 20 5 FHBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F ZINC000445165546 947560480 /nfs/dbraw/zinc/56/04/80/947560480.db2.gz ZDTCBRUQVKCIEY-AWEZNQCLSA-N -1 1 367.764 3.615 20 5 FHBDMM O=C([N-]c1ccc(F)cc1F)c1sc(Br)cc1[N+](=O)[O-] ZINC000445251446 947626042 /nfs/dbraw/zinc/62/60/42/947626042.db2.gz SHPCNXVCUFLFDP-UHFFFAOYSA-N -1 1 363.139 3.949 20 5 FHBDMM O=C([O-])C[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 ZINC000585731851 948241339 /nfs/dbraw/zinc/24/13/39/948241339.db2.gz SBEFJRHOAQDPJH-NSHDSACASA-N -1 1 372.349 3.563 20 5 FHBDMM O=C(Nc1ccc(Br)cc1[O-])c1ccc([N+](=O)[O-])cc1Cl ZINC000125985363 948457199 /nfs/dbraw/zinc/45/71/99/948457199.db2.gz PQYUBKGOEZRMPG-UHFFFAOYSA-N -1 1 371.574 3.969 20 5 FHBDMM COc1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)ccc1Cl ZINC000432479115 948545035 /nfs/dbraw/zinc/54/50/35/948545035.db2.gz RDCUVOCDITZWRG-UHFFFAOYSA-N -1 1 370.814 3.674 20 5 FHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1[N+](=O)[O-] ZINC000007055735 568145053 /nfs/dbraw/zinc/14/50/53/568145053.db2.gz MRWXCMOMMQOUFP-UHFFFAOYSA-N -1 1 350.396 3.528 20 5 FHBDMM C[C@H](CN(Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736583245 600215381 /nfs/dbraw/zinc/21/53/81/600215381.db2.gz LUPSURIRXQCNEQ-CYBMUJFWSA-N -1 1 362.813 3.971 20 5 FHBDMM CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000825148828 607449622 /nfs/dbraw/zinc/44/96/22/607449622.db2.gz UOSOSRVKXNKJSS-AWEZNQCLSA-N -1 1 358.789 3.992 20 5 FHBDMM CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000825148828 607449623 /nfs/dbraw/zinc/44/96/23/607449623.db2.gz UOSOSRVKXNKJSS-AWEZNQCLSA-N -1 1 358.789 3.992 20 5 FHBDMM CN(C)Cc1cc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])ccc1F ZINC000737367663 600623624 /nfs/dbraw/zinc/62/36/24/600623624.db2.gz BJOJWZMCZWRJPN-VMPITWQZSA-N -1 1 373.384 3.505 20 5 FHBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[nH]n1 ZINC000471508233 930087672 /nfs/dbraw/zinc/08/76/72/930087672.db2.gz ORGBXTZJZFLRKD-SNVBAGLBSA-N -1 1 366.443 3.639 20 5 FHBDMM Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000516786252 945239521 /nfs/dbraw/zinc/23/95/21/945239521.db2.gz YBSPNDZSUAVCGV-CQSZACIVSA-N -1 1 366.826 3.522 20 5 FHBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[n-]c1=O ZINC000427271434 945241604 /nfs/dbraw/zinc/24/16/04/945241604.db2.gz FDQZDIRLBLWGAT-WQLSENKSSA-N -1 1 371.393 3.951 20 5 FHBDMM COc1ccc(-c2nnc([N-]C(=O)c3ccc(F)cc3[N+](=O)[O-])s2)cc1 ZINC000136389150 939945345 /nfs/dbraw/zinc/94/53/45/939945345.db2.gz LPSGITXABWVWEX-UHFFFAOYSA-N -1 1 374.353 3.513 20 5 FHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000613263942 940496947 /nfs/dbraw/zinc/49/69/47/940496947.db2.gz FGNIZJMYHVRYSU-UHFFFAOYSA-N -1 1 371.418 3.869 20 5 FHBDMM CCOc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc(Cl)c1[O-] ZINC000186447410 941000362 /nfs/dbraw/zinc/00/03/62/941000362.db2.gz AMXHUEPPANILHG-UHFFFAOYSA-N -1 1 362.769 3.555 20 5 FHBDMM O=C([O-])c1cccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000617338517 942422448 /nfs/dbraw/zinc/42/24/48/942422448.db2.gz DNUVPAALKUSZOM-UHFFFAOYSA-N -1 1 352.346 3.843 20 5 FHBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000515630283 944062783 /nfs/dbraw/zinc/06/27/83/944062783.db2.gz WGYKGQDTUMLCBL-UHFFFAOYSA-N -1 1 370.814 3.756 20 5 FHBDMM CCOc1c(Cl)cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1OC ZINC000545533546 944391365 /nfs/dbraw/zinc/39/13/65/944391365.db2.gz RIACTOYGDQEYEJ-UHFFFAOYSA-N -1 1 364.745 3.701 20 5 FHBDMM CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000518461899 944402209 /nfs/dbraw/zinc/40/22/09/944402209.db2.gz GRONJIRPDROCFT-UHFFFAOYSA-N -1 1 357.288 3.983 20 5 FHBDMM O=C([O-])Cc1ccccc1CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426711903 944734597 /nfs/dbraw/zinc/73/45/97/944734597.db2.gz SPYFNQSSZDGYTR-UHFFFAOYSA-N -1 1 366.373 3.772 20 5 FHBDMM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000516341911 944744609 /nfs/dbraw/zinc/74/46/09/944744609.db2.gz DQRFQOMSTSFNEV-GFCCVEGCSA-N -1 1 368.842 3.548 20 5 FHBDMM O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507199589 945026019 /nfs/dbraw/zinc/02/60/19/945026019.db2.gz APHHPSPHPJMYCD-UHFFFAOYSA-N -1 1 364.317 3.689 20 5 FHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444669912 947093755 /nfs/dbraw/zinc/09/37/55/947093755.db2.gz XIDUCWYHZIIMTA-AWEZNQCLSA-N -1 1 361.785 3.716 20 5 FHBDMM CC(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)s1 ZINC000294400457 948028461 /nfs/dbraw/zinc/02/84/61/948028461.db2.gz CMEKOSBZOJRQQO-UHFFFAOYSA-N -1 1 360.317 3.841 20 5 FHBDMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000541801517 567865814 /nfs/dbraw/zinc/86/58/14/567865814.db2.gz ZUUYAOXQLBHNFL-ZDUSSCGKSA-N -1 1 364.423 3.720 20 5 FHBDMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481965579 568200205 /nfs/dbraw/zinc/20/02/05/568200205.db2.gz DYLMLDOBJDXQTK-ZDUSSCGKSA-N -1 1 364.423 3.720 20 5 FHBDMM CCC(C)(C)c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000820847692 599349374 /nfs/dbraw/zinc/34/93/74/599349374.db2.gz JESGNYBRFJDNCU-UHFFFAOYSA-N -1 1 354.370 3.650 20 5 FHBDMM CCC(C)(C)c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000820847692 599349375 /nfs/dbraw/zinc/34/93/75/599349375.db2.gz JESGNYBRFJDNCU-UHFFFAOYSA-N -1 1 354.370 3.650 20 5 FHBDMM O=C([O-])[C@H](NCc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000833169047 601973691 /nfs/dbraw/zinc/97/36/91/601973691.db2.gz CVZFNIWHGRODLW-CQSZACIVSA-N -1 1 355.177 3.817 20 5 FHBDMM O=C([O-])[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000833169046 601973782 /nfs/dbraw/zinc/97/37/82/601973782.db2.gz CVZFNIWHGRODLW-AWEZNQCLSA-N -1 1 355.177 3.817 20 5 FHBDMM C[C@@H](Oc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)C(=O)[O-] ZINC000833537008 604534954 /nfs/dbraw/zinc/53/49/54/604534954.db2.gz FWQQDHXDWTWYBC-CQSZACIVSA-N -1 1 370.405 3.611 20 5 FHBDMM O=C([O-])CCCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000833226938 604784884 /nfs/dbraw/zinc/78/48/84/604784884.db2.gz VELYYRBRGFDPMU-UHFFFAOYSA-N -1 1 369.377 3.603 20 5 FHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Cc2ccccc2)cc1 ZINC000823629649 606706105 /nfs/dbraw/zinc/70/61/05/606706105.db2.gz DCKWMJNHWFYFIY-UHFFFAOYSA-N -1 1 374.360 3.553 20 5 FHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(Cc2ccccc2)cc1 ZINC000823629649 606706108 /nfs/dbraw/zinc/70/61/08/606706108.db2.gz DCKWMJNHWFYFIY-UHFFFAOYSA-N -1 1 374.360 3.553 20 5 FHBDMM CCCCCc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821061015 607162789 /nfs/dbraw/zinc/16/27/89/607162789.db2.gz JXOKQIVMTNDECY-UHFFFAOYSA-N -1 1 354.370 3.695 20 5 FHBDMM CCCCCc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821061015 607162790 /nfs/dbraw/zinc/16/27/90/607162790.db2.gz JXOKQIVMTNDECY-UHFFFAOYSA-N -1 1 354.370 3.695 20 5 FHBDMM O=C(Nc1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])cc1Cl ZINC000176433933 937166432 /nfs/dbraw/zinc/16/64/32/937166432.db2.gz UTVFEBVCEHQBND-UHFFFAOYSA-N -1 1 371.574 3.969 20 5 FHBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(F)cc2F)cc1SC ZINC000175298006 927694823 /nfs/dbraw/zinc/69/48/23/927694823.db2.gz SRGPXLYIOSQCMN-UHFFFAOYSA-N -1 1 372.324 3.995 20 5 FHBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)cc1 ZINC000134057477 929785564 /nfs/dbraw/zinc/78/55/64/929785564.db2.gz DKMSCTIJWJZUIE-UHFFFAOYSA-N -1 1 370.814 3.756 20 5 FHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000056128025 938698811 /nfs/dbraw/zinc/69/88/11/938698811.db2.gz RHGBMODFEASLIF-GFCCVEGCSA-N -1 1 374.340 3.567 20 5 FHBDMM Cc1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cccc1-c1ncco1 ZINC000427345299 945302158 /nfs/dbraw/zinc/30/21/58/945302158.db2.gz NXFKEDZIOTUBBS-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM CCCCCc1nnc([N-]C(=O)c2cc(OCC)ccc2[N+](=O)[O-])s1 ZINC000548959137 940274131 /nfs/dbraw/zinc/27/41/31/940274131.db2.gz QACGCSALWRWJTG-UHFFFAOYSA-N -1 1 364.427 3.830 20 5 FHBDMM CCOc1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(F)c1 ZINC000414419079 941120068 /nfs/dbraw/zinc/12/00/68/941120068.db2.gz ZNUJSGIKZHZALX-UHFFFAOYSA-N -1 1 368.386 3.550 20 5 FHBDMM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000101677387 941999462 /nfs/dbraw/zinc/99/94/62/941999462.db2.gz CJSYUPUHSIEKOE-UHFFFAOYSA-N -1 1 363.373 3.635 20 5 FHBDMM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(F)(F)F ZINC000416605885 943007770 /nfs/dbraw/zinc/00/77/70/943007770.db2.gz YXRAVAFTKHHKJB-QMMMGPOBSA-N -1 1 374.768 3.505 20 5 FHBDMM COc1ccc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)c([N+](=O)[O-])c1 ZINC000515205023 943565646 /nfs/dbraw/zinc/56/56/46/943565646.db2.gz KQKLRHFZCZOJQG-UHFFFAOYSA-N -1 1 357.297 3.650 20 5 FHBDMM Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)c2)n1 ZINC000504859879 943869583 /nfs/dbraw/zinc/86/95/83/943869583.db2.gz UPCINNKMOWWSCZ-UHFFFAOYSA-N -1 1 364.365 3.502 20 5 FHBDMM COc1ccc(-c2ccc(CN3CCC[C@@H](C)[C@@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000424414096 943910906 /nfs/dbraw/zinc/91/09/06/943910906.db2.gz GXPZNNWWPMFHHY-KZULUSFZSA-N -1 1 374.393 3.549 20 5 FHBDMM CC(C)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000516341742 944744566 /nfs/dbraw/zinc/74/45/66/944744566.db2.gz XBQCFKGXMAFQKN-UHFFFAOYSA-N -1 1 368.842 3.850 20 5 FHBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2Oc2ccccc2)n1 ZINC000427465469 945411064 /nfs/dbraw/zinc/41/10/64/945411064.db2.gz NMRSPMHEQOYSEP-UHFFFAOYSA-N -1 1 370.340 3.995 20 5 FHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000519853914 945823595 /nfs/dbraw/zinc/82/35/95/945823595.db2.gz VRQORNOZRSEJPF-UHFFFAOYSA-N -1 1 352.387 3.714 20 5 FHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000150790986 947576906 /nfs/dbraw/zinc/57/69/06/947576906.db2.gz IAHYMJPASKDCNU-UHFFFAOYSA-N -1 1 372.406 3.539 20 5 FHBDMM Cc1ccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1C ZINC000568320757 568024161 /nfs/dbraw/zinc/02/41/61/568024161.db2.gz KYVZNLPSXDYVTL-UHFFFAOYSA-N -1 1 371.418 3.702 20 5 FHBDMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000569752965 568420200 /nfs/dbraw/zinc/42/02/00/568420200.db2.gz OVFJLALYIDIYQF-UHFFFAOYSA-N -1 1 370.427 3.955 20 5 FHBDMM CCCCCOc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821060372 599427936 /nfs/dbraw/zinc/42/79/36/599427936.db2.gz CKZXBADFRJUXNT-UHFFFAOYSA-N -1 1 370.369 3.531 20 5 FHBDMM CCCCCOc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821060372 599427937 /nfs/dbraw/zinc/42/79/37/599427937.db2.gz CKZXBADFRJUXNT-UHFFFAOYSA-N -1 1 370.369 3.531 20 5 FHBDMM O=C([O-])[C@H](NCc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833169883 601973833 /nfs/dbraw/zinc/97/38/33/601973833.db2.gz MQCQCLQCKWPLEF-CQSZACIVSA-N -1 1 355.177 3.817 20 5 FHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc2oc3ccccc3c2c1 ZINC000823629742 607161808 /nfs/dbraw/zinc/16/18/08/607161808.db2.gz GFBCYGQURONPRZ-UHFFFAOYSA-N -1 1 374.316 3.862 20 5 FHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc2oc3ccccc3c2c1 ZINC000823629742 607161809 /nfs/dbraw/zinc/16/18/09/607161809.db2.gz GFBCYGQURONPRZ-UHFFFAOYSA-N -1 1 374.316 3.862 20 5 FHBDMM O=[N+]([O-])c1cc(-c2ccccc2)ccc1Oc1cccc(-c2nnn[n-]2)n1 ZINC000826497893 607897810 /nfs/dbraw/zinc/89/78/10/607897810.db2.gz XZRZGEBKLFNNJZ-UHFFFAOYSA-N -1 1 360.333 3.629 20 5 FHBDMM O=[N+]([O-])c1cc(-c2ccccc2)ccc1Oc1cccc(-c2nn[n-]n2)n1 ZINC000826497893 607897811 /nfs/dbraw/zinc/89/78/11/607897811.db2.gz XZRZGEBKLFNNJZ-UHFFFAOYSA-N -1 1 360.333 3.629 20 5 FHBDMM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186885975 927445136 /nfs/dbraw/zinc/44/51/36/927445136.db2.gz TWJDNXSMYHWAQP-QMMMGPOBSA-N -1 1 370.192 3.835 20 5 FHBDMM CCOc1cc(C(=O)[N-]c2c(F)cc(F)cc2F)c([N+](=O)[O-])cc1OC ZINC000175311934 927817512 /nfs/dbraw/zinc/81/75/12/927817512.db2.gz FJRMOOYZNTULHU-UHFFFAOYSA-N -1 1 370.283 3.672 20 5 FHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000134042924 929731049 /nfs/dbraw/zinc/73/10/49/929731049.db2.gz JHLCNKMLNAGQSC-UHFFFAOYSA-N -1 1 374.422 3.635 20 5 FHBDMM Nc1c(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)cccc1[N+](=O)[O-] ZINC001167440933 931433034 /nfs/dbraw/zinc/43/30/34/931433034.db2.gz YAPWUWRVIXCHMS-UHFFFAOYSA-N -1 1 357.753 3.942 20 5 FHBDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)n1 ZINC000126803666 932576696 /nfs/dbraw/zinc/57/66/96/932576696.db2.gz DLFCTUVXLQHVHQ-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1c([N+](=O)[O-])cnn1C ZINC000119597481 934907958 /nfs/dbraw/zinc/90/79/58/934907958.db2.gz ZMDQOYQNEBYHCW-UHFFFAOYSA-N -1 1 354.819 3.735 20 5 FHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC000582933193 936305494 /nfs/dbraw/zinc/30/54/94/936305494.db2.gz HZLLSGRPHYVFQK-UHFFFAOYSA-N -1 1 357.391 3.561 20 5 FHBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 ZINC000188272061 939126054 /nfs/dbraw/zinc/12/60/54/939126054.db2.gz DWDNJUHUQBKLMS-LLVKDONJSA-N -1 1 355.350 3.665 20 5 FHBDMM Cc1ccc(CN(Cc2ccco2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000188296224 939150354 /nfs/dbraw/zinc/15/03/54/939150354.db2.gz KLZMNNQJGYQNHT-UHFFFAOYSA-N -1 1 373.390 3.501 20 5 FHBDMM Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000516786251 945239375 /nfs/dbraw/zinc/23/93/75/945239375.db2.gz YBSPNDZSUAVCGV-AWEZNQCLSA-N -1 1 366.826 3.522 20 5 FHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000188131106 942350598 /nfs/dbraw/zinc/35/05/98/942350598.db2.gz ZXWYHDOHNXIZHM-UHFFFAOYSA-N -1 1 363.373 3.538 20 5 FHBDMM CCSc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000505323847 942463044 /nfs/dbraw/zinc/46/30/44/942463044.db2.gz ZJHGIZKVAAFBSH-UHFFFAOYSA-N -1 1 352.437 3.816 20 5 FHBDMM CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(F)(F)F ZINC000416591962 942994416 /nfs/dbraw/zinc/99/44/16/942994416.db2.gz IPDWOIXIWGGZBR-QMMMGPOBSA-N -1 1 374.768 3.505 20 5 FHBDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000505044533 943980679 /nfs/dbraw/zinc/98/06/79/943980679.db2.gz PQZJNFZKRYMDBV-UHFFFAOYSA-N -1 1 370.814 3.836 20 5 FHBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436829109 944674728 /nfs/dbraw/zinc/67/47/28/944674728.db2.gz RVWPHZREOMWNNZ-UHFFFAOYSA-N -1 1 368.311 3.634 20 5 FHBDMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000511709473 944934536 /nfs/dbraw/zinc/93/45/36/944934536.db2.gz APKXHEJFKNOUBG-CYBMUJFWSA-N -1 1 364.423 3.881 20 5 FHBDMM Cc1cc(N2CCc3c(cccc3C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000519863761 945836265 /nfs/dbraw/zinc/83/62/65/945836265.db2.gz CCIAYLOMLBUDSI-UHFFFAOYSA-N -1 1 363.373 3.712 20 5 FHBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522874824 946039365 /nfs/dbraw/zinc/03/93/65/946039365.db2.gz HDNLIWYJEATVLB-UHFFFAOYSA-N -1 1 350.743 3.612 20 5 FHBDMM Cc1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1-c1ccccc1 ZINC000445219549 947619558 /nfs/dbraw/zinc/61/95/58/947619558.db2.gz XUVGLYZBSYIDIF-UHFFFAOYSA-N -1 1 363.373 3.601 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c2ncccc12 ZINC000184764330 948386144 /nfs/dbraw/zinc/38/61/44/948386144.db2.gz KMMIAGBNYTYWNI-UHFFFAOYSA-N -1 1 363.782 3.597 20 5 FHBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1Cl ZINC000541799354 567849383 /nfs/dbraw/zinc/84/93/83/567849383.db2.gz FTBMEQWTXNEHJY-UHFFFAOYSA-N -1 1 370.814 3.674 20 5 FHBDMM CCCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000518087897 567984945 /nfs/dbraw/zinc/98/49/45/567984945.db2.gz BAMWAZHBXNPBHK-UHFFFAOYSA-N -1 1 364.423 3.883 20 5 FHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000481959673 568196946 /nfs/dbraw/zinc/19/69/46/568196946.db2.gz BGEKNFGYXNLWKX-UHFFFAOYSA-N -1 1 372.349 3.614 20 5 FHBDMM CCOc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1F ZINC000481972794 568202883 /nfs/dbraw/zinc/20/28/83/568202883.db2.gz NXQVEUDVKAHFPW-UHFFFAOYSA-N -1 1 368.386 3.550 20 5 FHBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000828495050 600822144 /nfs/dbraw/zinc/82/21/44/600822144.db2.gz UWQQRBMTCRVCSJ-CABCVRRESA-N -1 1 369.421 3.565 20 5 FHBDMM CN(C)[C@@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1ccsc1 ZINC000830584926 602250528 /nfs/dbraw/zinc/25/05/28/602250528.db2.gz HHRGCDGSZBRNHC-AWEZNQCLSA-N -1 1 369.830 3.723 20 5 FHBDMM O=[N+]([O-])c1ccc2sc(C=Cc3ccc(-c4nn[n-]n4)s3)nc2c1 ZINC000823644654 606387986 /nfs/dbraw/zinc/38/79/86/606387986.db2.gz JXKUQDZBOMPLJV-UTCJRWHESA-N -1 1 356.392 3.617 20 5 FHBDMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000610194234 927891266 /nfs/dbraw/zinc/89/12/66/927891266.db2.gz UUDVCYYTHSNLDM-UHFFFAOYSA-N -1 1 366.464 3.957 20 5 FHBDMM C[C@H]1CCCN(c2ccc(C(=O)Nc3c([O-])cccc3F)cc2[N+](=O)[O-])C1 ZINC000610339805 930032255 /nfs/dbraw/zinc/03/22/55/930032255.db2.gz QULHWPMNFWPZTA-LBPRGKRZSA-N -1 1 373.384 3.928 20 5 FHBDMM CC(C)c1ccc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000187548343 933001252 /nfs/dbraw/zinc/00/12/52/933001252.db2.gz XNHYEMUVTCEGSF-UHFFFAOYSA-N -1 1 355.394 3.624 20 5 FHBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000119442368 934808655 /nfs/dbraw/zinc/80/86/55/934808655.db2.gz NONGMYYRBPVISP-UHFFFAOYSA-N -1 1 360.367 3.748 20 5 FHBDMM CCC(CC)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000427129542 945119151 /nfs/dbraw/zinc/11/91/51/945119151.db2.gz YFAREXNGZWILSA-UHFFFAOYSA-N -1 1 350.400 3.611 20 5 FHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000519202789 945213948 /nfs/dbraw/zinc/21/39/48/945213948.db2.gz LBPYIODTRVASHB-UHFFFAOYSA-N -1 1 372.349 3.559 20 5 FHBDMM Cc1oc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])nc1C1CC1 ZINC000892525151 940467355 /nfs/dbraw/zinc/46/73/55/940467355.db2.gz UHISIAFQKPULNW-UHFFFAOYSA-N -1 1 372.200 3.845 20 5 FHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000581965102 940635473 /nfs/dbraw/zinc/63/54/73/940635473.db2.gz SUHPURFAFXOUIY-UHFFFAOYSA-N -1 1 356.350 3.950 20 5 FHBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000124918183 945356133 /nfs/dbraw/zinc/35/61/33/945356133.db2.gz SRWJFJNMIVITQZ-UHFFFAOYSA-N -1 1 357.656 3.687 20 5 FHBDMM Cc1cc(C(=O)[N-]c2ccc(OCc3ccccc3)cc2[N+](=O)[O-])on1 ZINC000188971716 941135655 /nfs/dbraw/zinc/13/56/55/941135655.db2.gz UYCNLEVOBAIPKJ-UHFFFAOYSA-N -1 1 353.334 3.723 20 5 FHBDMM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000377175326 941541845 /nfs/dbraw/zinc/54/18/45/941541845.db2.gz LUADCGLHBRXLQI-UHFFFAOYSA-N -1 1 368.389 3.602 20 5 FHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000513380005 941877013 /nfs/dbraw/zinc/87/70/13/941877013.db2.gz ZXJWCKVOFUWOLW-UHFFFAOYSA-N -1 1 372.349 3.614 20 5 FHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1C ZINC000015243279 942079211 /nfs/dbraw/zinc/07/92/11/942079211.db2.gz GAPCAZIVRSPNFX-UHFFFAOYSA-N -1 1 354.815 3.974 20 5 FHBDMM O=C(Nc1cccc(COCCc2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000502806528 942759605 /nfs/dbraw/zinc/75/96/05/942759605.db2.gz QSJLWHOXWJIDPE-UHFFFAOYSA-N -1 1 365.389 3.935 20 5 FHBDMM O=c1[n-]c(-c2ccc([N+](=O)[O-])s2)nc2cc(Br)c(F)cc12 ZINC000504508405 943648264 /nfs/dbraw/zinc/64/82/64/943648264.db2.gz UPIYKUIODMCSTE-UHFFFAOYSA-N -1 1 370.159 3.874 20 5 FHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1[N+](=O)[O-] ZINC000436165735 944070255 /nfs/dbraw/zinc/07/02/55/944070255.db2.gz YUCNFOUVTNKLCB-UHFFFAOYSA-N -1 1 356.350 3.816 20 5 FHBDMM O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506175309 944329582 /nfs/dbraw/zinc/32/95/82/944329582.db2.gz HGHYETIVJJGHFO-UHFFFAOYSA-N -1 1 352.350 3.697 20 5 FHBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000473778037 944423302 /nfs/dbraw/zinc/42/33/02/944423302.db2.gz SKWWAVFMYLKCQW-UHFFFAOYSA-N -1 1 364.423 3.800 20 5 FHBDMM O=C([O-])c1coc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000426714410 944716341 /nfs/dbraw/zinc/71/63/41/944716341.db2.gz MRXMHONHYBUJQF-UHFFFAOYSA-N -1 1 358.375 3.904 20 5 FHBDMM CC(C)CN1Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])c2C1 ZINC000436889017 944764016 /nfs/dbraw/zinc/76/40/16/944764016.db2.gz WZYRPGFWPFAFMB-UHFFFAOYSA-N -1 1 355.394 3.524 20 5 FHBDMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000511699030 944943145 /nfs/dbraw/zinc/94/31/45/944943145.db2.gz RKFLCYJRGNSXBH-CYBMUJFWSA-N -1 1 364.423 3.881 20 5 FHBDMM Cc1ccc(Cc2nnc([N-]C(=O)c3ccc(F)cc3[N+](=O)[O-])s2)cc1 ZINC000129490460 946398515 /nfs/dbraw/zinc/39/85/15/946398515.db2.gz YYKPKLIBRNDDCW-UHFFFAOYSA-N -1 1 372.381 3.737 20 5 FHBDMM C[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001211683493 947217457 /nfs/dbraw/zinc/21/74/57/947217457.db2.gz GLJQIUDXCAQARU-LLVKDONJSA-N -1 1 360.863 3.885 20 5 FHBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F ZINC000445165548 947560605 /nfs/dbraw/zinc/56/06/05/947560605.db2.gz ZDTCBRUQVKCIEY-CQSZACIVSA-N -1 1 367.764 3.615 20 5 FHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)c(Cl)c1 ZINC000521415748 567962936 /nfs/dbraw/zinc/96/29/36/567962936.db2.gz HWOCCVJSOUJXFP-UHFFFAOYSA-N -1 1 370.814 3.620 20 5 FHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000827058533 601657978 /nfs/dbraw/zinc/65/79/78/601657978.db2.gz IWMSLXDDIHIPHC-IFXJQAMLSA-N -1 1 372.421 3.934 20 5 FHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000827058532 601658175 /nfs/dbraw/zinc/65/81/75/601658175.db2.gz IWMSLXDDIHIPHC-AUUYWEPGSA-N -1 1 372.421 3.934 20 5 FHBDMM O=C([O-])[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000263421148 604524031 /nfs/dbraw/zinc/52/40/31/604524031.db2.gz OXLVVHPHYGVNRV-AWEZNQCLSA-N -1 1 350.758 3.557 20 5 FHBDMM O=[N+]([O-])c1cccc2nc(C=Cc3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000823648321 606389924 /nfs/dbraw/zinc/38/99/24/606389924.db2.gz ULUBPOYPJYYIDL-XQRVVYSFSA-N -1 1 350.363 3.555 20 5 FHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1snc(Cl)c1-c1nn[n-]n1 ZINC000826267533 608184556 /nfs/dbraw/zinc/18/45/56/608184556.db2.gz JUXUCDPCUGRTER-UHFFFAOYSA-N -1 1 373.181 3.639 20 5 FHBDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000134061349 929783128 /nfs/dbraw/zinc/78/31/28/929783128.db2.gz FFGSRWXFKGJEPW-UHFFFAOYSA-N -1 1 368.798 3.560 20 5 FHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000458121303 934317599 /nfs/dbraw/zinc/31/75/99/934317599.db2.gz HMSOSKHXHBIGRJ-QGZVFWFLSA-N -1 1 367.405 3.843 20 5 FHBDMM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000536197892 938554828 /nfs/dbraw/zinc/55/48/28/938554828.db2.gz NDYREYZBYMZJRW-UHFFFAOYSA-N -1 1 352.350 3.560 20 5 FHBDMM CC(C)(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000180860011 941086007 /nfs/dbraw/zinc/08/60/07/941086007.db2.gz UZSIVAXSMSGIPY-UHFFFAOYSA-N -1 1 372.353 3.598 20 5 FHBDMM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000072499264 941155190 /nfs/dbraw/zinc/15/51/90/941155190.db2.gz LAPCOSFSNLJMFC-UHFFFAOYSA-N -1 1 350.352 3.556 20 5 FHBDMM O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414677202 941434313 /nfs/dbraw/zinc/43/43/13/941434313.db2.gz HVNXSRABXVXRFR-MRXNPFEDSA-N -1 1 374.368 3.965 20 5 FHBDMM CC1=CCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000435597352 943510095 /nfs/dbraw/zinc/51/00/95/943510095.db2.gz LPSHWSPIQPFOFN-UHFFFAOYSA-N -1 1 373.434 3.552 20 5 FHBDMM CSc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000014871259 943952873 /nfs/dbraw/zinc/95/28/73/943952873.db2.gz KZVDBZQYFLCNJH-UHFFFAOYSA-N -1 1 358.828 3.771 20 5 FHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c1 ZINC000436162283 944066036 /nfs/dbraw/zinc/06/60/36/944066036.db2.gz RFHXQZAUKZSTFQ-UHFFFAOYSA-N -1 1 359.407 3.802 20 5 FHBDMM CC(C)n1c(CCNc2ccc([N+](=O)[O-])c3cccnc23)n[n-]c1=S ZINC000092655460 944135744 /nfs/dbraw/zinc/13/57/44/944135744.db2.gz BWYUCJXLKLTPEF-UHFFFAOYSA-N -1 1 358.427 3.633 20 5 FHBDMM Cc1ccc(-c2cc(=NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])[nH][n-]2)s1 ZINC000518484212 944428661 /nfs/dbraw/zinc/42/86/61/944428661.db2.gz MNGQTFMPLQDRDK-UHFFFAOYSA-N -1 1 362.798 3.682 20 5 FHBDMM O=C([O-])[C@H](CC1CCCC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426762978 944785942 /nfs/dbraw/zinc/78/59/42/944785942.db2.gz PAYRQAYTQJXBBJ-KRWDZBQOSA-N -1 1 358.394 3.978 20 5 FHBDMM CC(C)(C)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000511712368 944939026 /nfs/dbraw/zinc/93/90/26/944939026.db2.gz MUVIIPLFYJXGIT-UHFFFAOYSA-N -1 1 363.439 3.854 20 5 FHBDMM Cc1sc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000522967235 946175991 /nfs/dbraw/zinc/17/59/91/946175991.db2.gz RDQXTFIKJNGRJQ-UHFFFAOYSA-N -1 1 363.786 3.656 20 5 FHBDMM Cc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729489999 946736397 /nfs/dbraw/zinc/73/63/97/946736397.db2.gz AODDSSMGQIGHEL-AWEZNQCLSA-N -1 1 366.826 3.522 20 5 FHBDMM Cc1ccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000444849587 947262151 /nfs/dbraw/zinc/26/21/51/947262151.db2.gz NMVMWQDDMBWCPA-SFHVURJKSA-N -1 1 363.373 3.523 20 5 FHBDMM CC(C)c1ccc(C[C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000445218644 947618282 /nfs/dbraw/zinc/61/82/82/947618282.db2.gz RDAHOPCVPSVGDO-OAHLLOKOSA-N -1 1 369.421 3.524 20 5 FHBDMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000603969813 568191765 /nfs/dbraw/zinc/19/17/65/568191765.db2.gz SSGLNFZOJKVKMD-UHFFFAOYSA-N -1 1 364.423 3.821 20 5 FHBDMM CCCCc1nc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2[nH]1 ZINC000436639417 568195468 /nfs/dbraw/zinc/19/54/68/568195468.db2.gz OZDQWZPPCRSBRK-UHFFFAOYSA-N -1 1 354.366 3.772 20 5 FHBDMM CCOCc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481969671 568201881 /nfs/dbraw/zinc/20/18/81/568201881.db2.gz GRAUBJUFVJBBOE-UHFFFAOYSA-N -1 1 364.423 3.549 20 5 FHBDMM O=C([O-])[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000739500060 599792060 /nfs/dbraw/zinc/79/20/60/599792060.db2.gz NOORMQISKQPRRW-CQSZACIVSA-N -1 1 354.284 3.529 20 5 FHBDMM O=C([O-])CN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000739796671 600216300 /nfs/dbraw/zinc/21/63/00/600216300.db2.gz HOWMAAMJDSELMC-UHFFFAOYSA-N -1 1 369.204 3.988 20 5 FHBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000828495056 600821805 /nfs/dbraw/zinc/82/18/05/600821805.db2.gz UWQQRBMTCRVCSJ-LSDHHAIUSA-N -1 1 369.421 3.565 20 5 FHBDMM C[C@H](Oc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)C(=O)[O-] ZINC000833537059 604535255 /nfs/dbraw/zinc/53/52/55/604535255.db2.gz HAIWRJMDZDNMFB-AWEZNQCLSA-N -1 1 370.405 3.611 20 5 FHBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[nH]n1 ZINC000479129432 935800429 /nfs/dbraw/zinc/80/04/29/935800429.db2.gz PZRZQPNXUALSLT-JTQLQIEISA-N -1 1 366.443 3.639 20 5 FHBDMM CC(C)C(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001211552409 935893360 /nfs/dbraw/zinc/89/33/60/935893360.db2.gz HXLKOSMXNLWDDB-UHFFFAOYSA-N -1 1 369.270 3.862 20 5 FHBDMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000136768907 941054632 /nfs/dbraw/zinc/05/46/32/941054632.db2.gz XCFGDFSZKRHZDW-VIFPVBQESA-N -1 1 365.183 3.554 20 5 FHBDMM Cc1c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000189229380 941155008 /nfs/dbraw/zinc/15/50/08/941155008.db2.gz ZTZMGCWNWRDHDP-UHFFFAOYSA-N -1 1 374.340 3.809 20 5 FHBDMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414680849 941435446 /nfs/dbraw/zinc/43/54/46/941435446.db2.gz LSXPYFDCWGZWLL-LBPRGKRZSA-N -1 1 362.382 3.549 20 5 FHBDMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000122657007 942015782 /nfs/dbraw/zinc/01/57/82/942015782.db2.gz RXQJPWRUDUZOGK-UHFFFAOYSA-N -1 1 368.305 3.719 20 5 FHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000101959574 942028670 /nfs/dbraw/zinc/02/86/70/942028670.db2.gz ZYIDPSXDXMSFCB-UHFFFAOYSA-N -1 1 361.357 3.518 20 5 FHBDMM O=C([O-])[C@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000414678906 943221992 /nfs/dbraw/zinc/22/19/92/943221992.db2.gz JXWAGXAQKROHKR-AWEZNQCLSA-N -1 1 374.368 3.823 20 5 FHBDMM O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000504276930 943568828 /nfs/dbraw/zinc/56/88/28/943568828.db2.gz LOFYQHMGTOCWGB-UHFFFAOYSA-N -1 1 363.679 3.770 20 5 FHBDMM O=C(Nc1cccc(OCCc2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000506169756 944278405 /nfs/dbraw/zinc/27/84/05/944278405.db2.gz COGTYXRMGQLEEX-UHFFFAOYSA-N -1 1 351.362 3.797 20 5 FHBDMM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000426825026 944848737 /nfs/dbraw/zinc/84/87/37/944848737.db2.gz KKJBVGAHZRHDDX-AWEZNQCLSA-N -1 1 364.785 3.562 20 5 FHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCC1 ZINC000729485463 946270861 /nfs/dbraw/zinc/27/08/61/946270861.db2.gz GSSMVQQEKOCAKK-INIZCTEOSA-N -1 1 364.398 3.554 20 5 FHBDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3ccc([N+](=O)[O-])cc3Cl)[nH][n-]2)c1 ZINC000444812949 947247182 /nfs/dbraw/zinc/24/71/82/947247182.db2.gz LZMYWCXPJZCMKL-UHFFFAOYSA-N -1 1 374.759 3.760 20 5 FHBDMM Cc1ccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000444849583 947262060 /nfs/dbraw/zinc/26/20/60/947262060.db2.gz NMVMWQDDMBWCPA-GOSISDBHSA-N -1 1 363.373 3.523 20 5 FHBDMM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444997861 947391825 /nfs/dbraw/zinc/39/18/25/947391825.db2.gz QBGAEOCHRYKKEY-DYVFJYSZSA-N -1 1 355.394 3.617 20 5 FHBDMM CC(C)Sc1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445193283 947592364 /nfs/dbraw/zinc/59/23/64/947592364.db2.gz XEOFGQSAJMWOSM-NSHDSACASA-N -1 1 361.423 3.687 20 5 FHBDMM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1c([O-])cccc1F ZINC000585701374 948184048 /nfs/dbraw/zinc/18/40/48/948184048.db2.gz GDZLSJDOVKTQFU-UHFFFAOYSA-N -1 1 369.146 3.763 20 5 FHBDMM C[C@@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000520629019 948443595 /nfs/dbraw/zinc/44/35/95/948443595.db2.gz QFUVBCQSSRLQOI-LBPRGKRZSA-N -1 1 368.480 3.691 20 5 FHBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000512147916 948550986 /nfs/dbraw/zinc/55/09/86/948550986.db2.gz PJPRSSLWEGPZQF-UHFFFAOYSA-N -1 1 374.871 3.566 20 5 FHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000290995868 567944557 /nfs/dbraw/zinc/94/45/57/567944557.db2.gz UOXXXHKOHVSGFS-UHFFFAOYSA-N -1 1 374.418 3.531 20 5 FHBDMM CCOCc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000481954516 568196860 /nfs/dbraw/zinc/19/68/60/568196860.db2.gz BHZIDKPDUXRMQX-UHFFFAOYSA-N -1 1 364.423 3.549 20 5 FHBDMM O=[N+]([O-])c1cccc2nc(C=Cc3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000823648320 606389756 /nfs/dbraw/zinc/38/97/56/606389756.db2.gz ULUBPOYPJYYIDL-GQCTYLIASA-N -1 1 350.363 3.555 20 5 FHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000187169439 928288380 /nfs/dbraw/zinc/28/83/80/928288380.db2.gz UHRXZDMXRHNNSN-UHFFFAOYSA-N -1 1 368.386 3.667 20 5 FHBDMM O=C([N-]c1nc(Sc2ccccc2)ns1)c1ccccc1[N+](=O)[O-] ZINC000109725732 929621902 /nfs/dbraw/zinc/62/19/02/929621902.db2.gz XSDBNLNLZRILCS-UHFFFAOYSA-N -1 1 358.404 3.850 20 5 FHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780366424 930244654 /nfs/dbraw/zinc/24/46/54/930244654.db2.gz UQNNWMCIWFMYKC-UHFFFAOYSA-N -1 1 356.350 3.950 20 5 FHBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000110768919 945095438 /nfs/dbraw/zinc/09/54/38/945095438.db2.gz LORCBFAPONHSIL-UHFFFAOYSA-N -1 1 373.419 3.553 20 5 FHBDMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3C)cc2)co1 ZINC000135666181 936088676 /nfs/dbraw/zinc/08/86/76/936088676.db2.gz GNKLZOSYQXMIIB-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)c1 ZINC000536041273 938268696 /nfs/dbraw/zinc/26/86/96/938268696.db2.gz CMABJBCCTKVQRV-UHFFFAOYSA-N -1 1 362.798 3.682 20 5 FHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000188277410 939128016 /nfs/dbraw/zinc/12/80/16/939128016.db2.gz UFZIGQLAFVKSIH-QGZVFWFLSA-N -1 1 363.373 3.826 20 5 FHBDMM COc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3F)s2)cc1 ZINC000136401400 939948998 /nfs/dbraw/zinc/94/89/98/939948998.db2.gz CFGHHDSLPAGYTJ-UHFFFAOYSA-N -1 1 374.353 3.513 20 5 FHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000005598818 940104108 /nfs/dbraw/zinc/10/41/08/940104108.db2.gz HZZWBXAEZKZALR-UHFFFAOYSA-N -1 1 360.313 3.723 20 5 FHBDMM Cc1cc(C)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000613112132 940455812 /nfs/dbraw/zinc/45/58/12/940455812.db2.gz REKXNARWTCKCKI-UHFFFAOYSA-N -1 1 354.815 3.974 20 5 FHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000507581819 945340809 /nfs/dbraw/zinc/34/08/09/945340809.db2.gz HTSBYACGKVXNCS-UHFFFAOYSA-N -1 1 374.777 3.505 20 5 FHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000436165324 942563030 /nfs/dbraw/zinc/56/30/30/942563030.db2.gz XKAWULVQBBXVED-UHFFFAOYSA-N -1 1 356.350 3.816 20 5 FHBDMM COc1cc(C)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1C ZINC000435736049 943588174 /nfs/dbraw/zinc/58/81/74/943588174.db2.gz STROCBGVJWSGTI-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM COc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1F ZINC000436177847 944091202 /nfs/dbraw/zinc/09/12/02/944091202.db2.gz RNKUGPAZACOYNZ-UHFFFAOYSA-N -1 1 374.777 3.505 20 5 FHBDMM CC(C)c1nnc([N-]C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])s1 ZINC000550167163 944313534 /nfs/dbraw/zinc/31/35/34/944313534.db2.gz RNGXTYOKIJROQH-UHFFFAOYSA-N -1 1 369.406 3.884 20 5 FHBDMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1C ZINC000473760257 944370715 /nfs/dbraw/zinc/37/07/15/944370715.db2.gz AZIUBTACRWFCQV-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM O=C([O-])Cc1ccccc1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426715741 944716451 /nfs/dbraw/zinc/71/64/51/944716451.db2.gz STDPABXFDRIZPP-UHFFFAOYSA-N -1 1 366.373 3.772 20 5 FHBDMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452864462 567837505 /nfs/dbraw/zinc/83/75/05/567837505.db2.gz WNJFQYZEFIBQRV-LBPRGKRZSA-N -1 1 362.332 3.598 20 5 FHBDMM CCCCCc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821060366 599195104 /nfs/dbraw/zinc/19/51/04/599195104.db2.gz CAAQUPJUPWQGJP-UHFFFAOYSA-N -1 1 354.370 3.695 20 5 FHBDMM CCCCCc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821060366 599195106 /nfs/dbraw/zinc/19/51/06/599195106.db2.gz CAAQUPJUPWQGJP-UHFFFAOYSA-N -1 1 354.370 3.695 20 5 FHBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)c3ccccc23)c(-c2nnn[n-]2)c1 ZINC000823650779 599363532 /nfs/dbraw/zinc/36/35/32/599363532.db2.gz AQVRUZJIXCPHRG-UHFFFAOYSA-N -1 1 368.740 3.769 20 5 FHBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)c3ccccc23)c(-c2nn[n-]n2)c1 ZINC000823650779 599363534 /nfs/dbraw/zinc/36/35/34/599363534.db2.gz AQVRUZJIXCPHRG-UHFFFAOYSA-N -1 1 368.740 3.769 20 5 FHBDMM O=C([O-])C=Cc1ccc(NCc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000739627746 600177948 /nfs/dbraw/zinc/17/79/48/600177948.db2.gz ZMSKTRHPXPKHIY-KXFIGUGUSA-N -1 1 372.768 3.834 20 5 FHBDMM O=C([O-])C=Cc1ccc(NCc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000739627747 600178061 /nfs/dbraw/zinc/17/80/61/600178061.db2.gz ZMSKTRHPXPKHIY-QHHAFSJGSA-N -1 1 372.768 3.834 20 5 FHBDMM Cc1ccc2nc(CNc3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000832958588 604271201 /nfs/dbraw/zinc/27/12/01/604271201.db2.gz AUTSEMOOOVAFSS-UHFFFAOYSA-N -1 1 360.757 3.743 20 5 FHBDMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000820925128 606644689 /nfs/dbraw/zinc/64/46/89/606644689.db2.gz DSGGHZSRCGOBSO-CQSZACIVSA-N -1 1 358.789 3.992 20 5 FHBDMM CC(C)Cc1ccc([C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820107832 607161827 /nfs/dbraw/zinc/16/18/27/607161827.db2.gz CRQZPCWNXVZMGP-GFCCVEGCSA-N -1 1 367.413 3.542 20 5 FHBDMM CC(C)Cc1ccc([C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820107832 607161829 /nfs/dbraw/zinc/16/18/29/607161829.db2.gz CRQZPCWNXVZMGP-GFCCVEGCSA-N -1 1 367.413 3.542 20 5 FHBDMM CC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1-c1ccccc1 ZINC000070755311 928482664 /nfs/dbraw/zinc/48/26/64/928482664.db2.gz GMGZHFKHSSTVAI-UHFFFAOYSA-N -1 1 357.347 3.766 20 5 FHBDMM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000022975313 929783380 /nfs/dbraw/zinc/78/33/80/929783380.db2.gz ZTCPXCNPYCPJDW-UHFFFAOYSA-N -1 1 350.400 3.611 20 5 FHBDMM CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000180857449 934148778 /nfs/dbraw/zinc/14/87/78/934148778.db2.gz QKVGVDKLSYJMFZ-UHFFFAOYSA-N -1 1 372.353 3.643 20 5 FHBDMM CCOc1cc(C(=O)[N-]c2c(F)cccc2F)c([N+](=O)[O-])cc1OC ZINC000061196664 936202844 /nfs/dbraw/zinc/20/28/44/936202844.db2.gz RQROAQITQQBQTB-UHFFFAOYSA-N -1 1 352.293 3.533 20 5 FHBDMM Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725826691 938795865 /nfs/dbraw/zinc/79/58/65/938795865.db2.gz ZKSBUELJNAOSLA-AWEZNQCLSA-N -1 1 366.826 3.522 20 5 FHBDMM COc1ccc(C)cc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000518211468 945213159 /nfs/dbraw/zinc/21/31/59/945213159.db2.gz KCGOKJMDGJIVRY-UHFFFAOYSA-N -1 1 358.379 3.616 20 5 FHBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000179643064 939906977 /nfs/dbraw/zinc/90/69/77/939906977.db2.gz DQSIZBGCWAMEEM-UHFFFAOYSA-N -1 1 360.313 3.556 20 5 FHBDMM Cc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1O ZINC000612997873 940386403 /nfs/dbraw/zinc/38/64/03/940386403.db2.gz OTZSHMMKNPJWMS-UHFFFAOYSA-N -1 1 370.814 3.680 20 5 FHBDMM O=C([N-]c1c(F)cc(Br)cc1F)c1csc([N+](=O)[O-])c1 ZINC000175246626 940836200 /nfs/dbraw/zinc/83/62/00/940836200.db2.gz SSLJMDUBZAVEKE-UHFFFAOYSA-N -1 1 363.139 3.949 20 5 FHBDMM CCOc1cc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000186653110 941042778 /nfs/dbraw/zinc/04/27/78/941042778.db2.gz JJSGKZQQWRCPSG-JTQLQIEISA-N -1 1 364.785 3.844 20 5 FHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000189224375 941154953 /nfs/dbraw/zinc/15/49/53/941154953.db2.gz RPPJNHKUNDQDDN-UHFFFAOYSA-N -1 1 374.340 3.809 20 5 FHBDMM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001143491407 941626749 /nfs/dbraw/zinc/62/67/49/941626749.db2.gz MSQRNGPJPBXDPK-QGZVFWFLSA-N -1 1 371.437 3.959 20 5 FHBDMM Cc1nc2ccc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2s1 ZINC000541173715 941981339 /nfs/dbraw/zinc/98/13/39/941981339.db2.gz KRJAAENUZYZBLN-UHFFFAOYSA-N -1 1 369.449 3.722 20 5 FHBDMM Cc1cc(Br)c([O-])c(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000182903435 941992493 /nfs/dbraw/zinc/99/24/93/941992493.db2.gz DAHRRJGZOIMWEW-UHFFFAOYSA-N -1 1 357.185 3.685 20 5 FHBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000434097925 942185889 /nfs/dbraw/zinc/18/58/89/942185889.db2.gz NQUKBRIOZJJZBB-UHFFFAOYSA-N -1 1 369.308 3.576 20 5 FHBDMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000517002122 943918190 /nfs/dbraw/zinc/91/81/90/943918190.db2.gz GJOYBYBUDPGHQW-UHFFFAOYSA-N -1 1 370.427 3.955 20 5 FHBDMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000511696205 944910797 /nfs/dbraw/zinc/91/07/97/944910797.db2.gz VAWSMQYHUNDXJJ-LBPRGKRZSA-N -1 1 350.396 3.573 20 5 FHBDMM O=C(Nc1ccc(F)cc1[O-])c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444253924 946131565 /nfs/dbraw/zinc/13/15/65/946131565.db2.gz ZKOBNYQNUCPZQU-UHFFFAOYSA-N -1 1 366.323 3.917 20 5 FHBDMM O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000481506907 568021138 /nfs/dbraw/zinc/02/11/38/568021138.db2.gz RDFMXVRTDXOUGA-UHFFFAOYSA-N -1 1 365.324 3.858 20 5 FHBDMM COc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1Cl ZINC000481972702 568202905 /nfs/dbraw/zinc/20/29/05/568202905.db2.gz NOPBYZGOBRMRHH-UHFFFAOYSA-N -1 1 370.814 3.674 20 5 FHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000542001192 568427200 /nfs/dbraw/zinc/42/72/00/568427200.db2.gz YQJXUXHYUKIHKZ-UHFFFAOYSA-N -1 1 350.396 3.528 20 5 FHBDMM O=C([O-])[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000739500059 599792035 /nfs/dbraw/zinc/79/20/35/599792035.db2.gz NOORMQISKQPRRW-AWEZNQCLSA-N -1 1 354.284 3.529 20 5 FHBDMM C[C@@H](CN(Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000736584095 600402071 /nfs/dbraw/zinc/40/20/71/600402071.db2.gz PBDYVEUAYBDPOU-ZDUSSCGKSA-N -1 1 362.813 3.971 20 5 FHBDMM C[C@@H](Oc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)C(=O)[O-] ZINC000833537060 604534940 /nfs/dbraw/zinc/53/49/40/604534940.db2.gz HAIWRJMDZDNMFB-CQSZACIVSA-N -1 1 370.405 3.611 20 5 FHBDMM CC(C)Cc1ccc([C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820107835 607161728 /nfs/dbraw/zinc/16/17/28/607161728.db2.gz CRQZPCWNXVZMGP-LBPRGKRZSA-N -1 1 367.413 3.542 20 5 FHBDMM CC(C)Cc1ccc([C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820107835 607161730 /nfs/dbraw/zinc/16/17/30/607161730.db2.gz CRQZPCWNXVZMGP-LBPRGKRZSA-N -1 1 367.413 3.542 20 5 FHBDMM O=C([N-]c1nc2c(cccc2Br)s1)c1ccc([N+](=O)[O-])o1 ZINC000004348416 928900679 /nfs/dbraw/zinc/90/06/79/928900679.db2.gz JFCJVVZSFHACBB-UHFFFAOYSA-N -1 1 368.168 3.812 20 5 FHBDMM Cc1noc(C(F)F)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000610431399 930524363 /nfs/dbraw/zinc/52/43/63/930524363.db2.gz KCMDQTLPAMSHKQ-UHFFFAOYSA-N -1 1 363.223 3.683 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Cl)sc2Cl)s1 ZINC000537747313 931214808 /nfs/dbraw/zinc/21/48/08/931214808.db2.gz LYCVAWAAMKZVTK-UHFFFAOYSA-N -1 1 373.264 3.503 20 5 FHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000458121302 934317792 /nfs/dbraw/zinc/31/77/92/934317792.db2.gz HMSOSKHXHBIGRJ-KRWDZBQOSA-N -1 1 367.405 3.843 20 5 FHBDMM O=C([O-])[C@H]1CCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000263389735 935201945 /nfs/dbraw/zinc/20/19/45/935201945.db2.gz DWCLPEZORDZHIZ-OAHLLOKOSA-N -1 1 364.785 3.947 20 5 FHBDMM COc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1C ZINC000584313340 938683353 /nfs/dbraw/zinc/68/33/53/938683353.db2.gz MXBROTSTMUFMIJ-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000188480882 939913326 /nfs/dbraw/zinc/91/33/26/939913326.db2.gz SYYQYDSAPMCHNB-JTQLQIEISA-N -1 1 364.354 3.520 20 5 FHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000506795089 945333532 /nfs/dbraw/zinc/33/35/32/945333532.db2.gz JPNIORDVCSDMDB-UHFFFAOYSA-N -1 1 364.423 3.739 20 5 FHBDMM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(Cl)cc1F ZINC000507596286 945356504 /nfs/dbraw/zinc/35/65/04/945356504.db2.gz NRKKEFYHPCJFJW-UHFFFAOYSA-N -1 1 358.778 3.805 20 5 FHBDMM Cc1cc(Br)c([O-])c(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000182923717 941998200 /nfs/dbraw/zinc/99/82/00/941998200.db2.gz JTQISEHZRPMEQX-UHFFFAOYSA-N -1 1 365.183 3.553 20 5 FHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000549346713 942028141 /nfs/dbraw/zinc/02/81/41/942028141.db2.gz WPMRNHNTSPBJMP-UHFFFAOYSA-N -1 1 350.758 3.913 20 5 FHBDMM CC(C)CN1Cc2cccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2C1 ZINC000183392965 942172725 /nfs/dbraw/zinc/17/27/25/942172725.db2.gz OLSKPTXALGVDGF-UHFFFAOYSA-N -1 1 355.394 3.524 20 5 FHBDMM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414680847 943230540 /nfs/dbraw/zinc/23/05/40/943230540.db2.gz LSXPYFDCWGZWLL-GFCCVEGCSA-N -1 1 362.382 3.549 20 5 FHBDMM O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000515786073 944212474 /nfs/dbraw/zinc/21/24/74/944212474.db2.gz HPWUQXHEJDXYQD-UHFFFAOYSA-N -1 1 365.349 3.819 20 5 FHBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000473757272 944381326 /nfs/dbraw/zinc/38/13/26/944381326.db2.gz RAFHXVMWKIXPTO-UHFFFAOYSA-N -1 1 354.815 3.974 20 5 FHBDMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000511699032 944943240 /nfs/dbraw/zinc/94/32/40/944943240.db2.gz RKFLCYJRGNSXBH-ZDUSSCGKSA-N -1 1 364.423 3.881 20 5 FHBDMM CSc1cccc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1[N+](=O)[O-] ZINC000186227367 946634259 /nfs/dbraw/zinc/63/42/59/946634259.db2.gz NPVACDHUMMISCY-UHFFFAOYSA-N -1 1 352.441 3.718 20 5 FHBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[nH]n1 ZINC000541784967 567821580 /nfs/dbraw/zinc/82/15/80/567821580.db2.gz OOIGFGNMUUJSNK-LLVKDONJSA-N -1 1 366.443 3.639 20 5 FHBDMM Cc1cc(C(C)(C)C)ccc1Oc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822191588 599137196 /nfs/dbraw/zinc/13/71/96/599137196.db2.gz KZLKPBRYYCEGKD-UHFFFAOYSA-N -1 1 354.370 3.568 20 5 FHBDMM Cc1cc(C(C)(C)C)ccc1Oc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822191588 599137199 /nfs/dbraw/zinc/13/71/99/599137199.db2.gz KZLKPBRYYCEGKD-UHFFFAOYSA-N -1 1 354.370 3.568 20 5 FHBDMM CC(C)c1ccc(CSc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735928214 598499878 /nfs/dbraw/zinc/49/98/78/598499878.db2.gz ITWUREAPYKZSCL-UHFFFAOYSA-N -1 1 356.411 3.586 20 5 FHBDMM O=C([O-])[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000739505413 599792826 /nfs/dbraw/zinc/79/28/26/599792826.db2.gz NXFZUUFZNGPSPB-AWEZNQCLSA-N -1 1 354.284 3.529 20 5 FHBDMM CC[C@](NCc1cc([N+](=O)[O-])ccc1OC(C)C)(C(=O)[O-])c1ccccc1 ZINC000736918293 600129958 /nfs/dbraw/zinc/12/99/58/600129958.db2.gz SUUUZYDPNGDDJJ-HXUWFJFHSA-N -1 1 372.421 3.862 20 5 FHBDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000833419941 605548956 /nfs/dbraw/zinc/54/89/56/605548956.db2.gz KFSFJYAWNPZFLI-GFCCVEGCSA-N -1 1 372.368 3.519 20 5 FHBDMM O=[N+]([O-])c1cc(-c2ccccc2)ccc1Oc1ncccc1-c1nn[n-]n1 ZINC000823629591 606430785 /nfs/dbraw/zinc/43/07/85/606430785.db2.gz AYPKZWQTUCKEHU-UHFFFAOYSA-N -1 1 360.333 3.629 20 5 FHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccc(Cl)c(Cl)c1 ZINC000823630495 606714793 /nfs/dbraw/zinc/71/47/93/606714793.db2.gz YJXLVXDEZPGAOZ-UHFFFAOYSA-N -1 1 369.193 3.628 20 5 FHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ccc(Cl)c(Cl)c1 ZINC000823630495 606714794 /nfs/dbraw/zinc/71/47/94/606714794.db2.gz YJXLVXDEZPGAOZ-UHFFFAOYSA-N -1 1 369.193 3.628 20 5 FHBDMM CCCCCOc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821062608 607160644 /nfs/dbraw/zinc/16/06/44/607160644.db2.gz ZJLTWYQKNNJASE-UHFFFAOYSA-N -1 1 370.369 3.531 20 5 FHBDMM CCCCCOc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821062608 607160645 /nfs/dbraw/zinc/16/06/45/607160645.db2.gz ZJLTWYQKNNJASE-UHFFFAOYSA-N -1 1 370.369 3.531 20 5 FHBDMM CCC(C)(C)c1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820847990 607161055 /nfs/dbraw/zinc/16/10/55/607161055.db2.gz PODGPZAKCLMOHA-UHFFFAOYSA-N -1 1 354.370 3.650 20 5 FHBDMM CCC(C)(C)c1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820847990 607161057 /nfs/dbraw/zinc/16/10/57/607161057.db2.gz PODGPZAKCLMOHA-UHFFFAOYSA-N -1 1 354.370 3.650 20 5 FHBDMM CCCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1ccccc1C ZINC000430171107 927512912 /nfs/dbraw/zinc/51/29/12/927512912.db2.gz SBEVVHABFVWDHT-UHFFFAOYSA-N -1 1 353.382 3.622 20 5 FHBDMM COc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)cc1C ZINC000478699930 935681012 /nfs/dbraw/zinc/68/10/12/935681012.db2.gz LETCCZCOQZNGSU-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1c([O-])cccc1F ZINC000612313834 939992051 /nfs/dbraw/zinc/99/20/51/939992051.db2.gz RCLJJGKLUDKISH-UHFFFAOYSA-N -1 1 356.762 3.824 20 5 FHBDMM CCN(CC)Cc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000612628191 940189691 /nfs/dbraw/zinc/18/96/91/940189691.db2.gz YQVMJJVYECRTGG-UHFFFAOYSA-N -1 1 367.789 3.641 20 5 FHBDMM Cc1cc(Br)c([O-])c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000182931460 942009780 /nfs/dbraw/zinc/00/97/80/942009780.db2.gz RSBCCKDIVCSBOI-UHFFFAOYSA-N -1 1 365.183 3.553 20 5 FHBDMM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000150718101 943556967 /nfs/dbraw/zinc/55/69/67/943556967.db2.gz PTLPRHLIKWNVNL-UHFFFAOYSA-N -1 1 360.420 3.816 20 5 FHBDMM CSCc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000518311647 944273328 /nfs/dbraw/zinc/27/33/28/944273328.db2.gz YGDOFGYJFAVETB-UHFFFAOYSA-N -1 1 352.437 3.567 20 5 FHBDMM O=[N+]([O-])c1ccc([O-])cc1CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000436472743 944352233 /nfs/dbraw/zinc/35/22/33/944352233.db2.gz AGLCMKLWZPZDJX-UHFFFAOYSA-N -1 1 364.333 3.656 20 5 FHBDMM Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426754950 944775171 /nfs/dbraw/zinc/77/51/71/944775171.db2.gz VJUSOIQNOGTBDL-OAHLLOKOSA-N -1 1 352.749 3.611 20 5 FHBDMM CC(C)CN1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c2C1 ZINC000436958562 944855140 /nfs/dbraw/zinc/85/51/40/944855140.db2.gz IPPLFGYGLREHOI-UHFFFAOYSA-N -1 1 355.394 3.524 20 5 FHBDMM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444861764 947287648 /nfs/dbraw/zinc/28/76/48/947287648.db2.gz UXSAXCDNCWXZQN-VIFPVBQESA-N -1 1 369.299 3.547 20 5 FHBDMM COc1cc(/C=C\c2ccc3cc(C(=O)[O-])ccc3n2)cc([N+](=O)[O-])c1O ZINC000440617587 947376858 /nfs/dbraw/zinc/37/68/58/947376858.db2.gz UHNJBIQNFSOUHQ-DJWKRKHSSA-N -1 1 366.329 3.726 20 5 FHBDMM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445145250 947536769 /nfs/dbraw/zinc/53/67/69/947536769.db2.gz UHEKGMQEUQYXBZ-INIZCTEOSA-N -1 1 355.394 3.796 20 5 FHBDMM C/C=C\c1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1 ZINC000570426810 568475774 /nfs/dbraw/zinc/47/57/74/568475774.db2.gz BRNHXYYWEZAIRL-ARJAWSKDSA-N -1 1 366.370 3.576 20 5 FHBDMM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C ZINC000007417104 568505483 /nfs/dbraw/zinc/50/54/83/568505483.db2.gz GXULEQIIYIYWSS-UHFFFAOYSA-N -1 1 354.815 3.974 20 5 FHBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cc3ccccc3)cc2)c(-c2nnn[n-]2)c1 ZINC000738373750 598501241 /nfs/dbraw/zinc/50/12/41/598501241.db2.gz GRFJWWDGPOGCCM-UHFFFAOYSA-N -1 1 374.360 3.553 20 5 FHBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cc3ccccc3)cc2)c(-c2nn[n-]n2)c1 ZINC000738373750 598501243 /nfs/dbraw/zinc/50/12/43/598501243.db2.gz GRFJWWDGPOGCCM-UHFFFAOYSA-N -1 1 374.360 3.553 20 5 FHBDMM CC[C@@](NCc1cc([N+](=O)[O-])ccc1OC(C)C)(C(=O)[O-])c1ccccc1 ZINC000736918292 600130096 /nfs/dbraw/zinc/13/00/96/600130096.db2.gz SUUUZYDPNGDDJJ-FQEVSTJZSA-N -1 1 372.421 3.862 20 5 FHBDMM CN(C)[C@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1ccsc1 ZINC000830584927 602250695 /nfs/dbraw/zinc/25/06/95/602250695.db2.gz HHRGCDGSZBRNHC-CQSZACIVSA-N -1 1 369.830 3.723 20 5 FHBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000833419943 605549271 /nfs/dbraw/zinc/54/92/71/605549271.db2.gz KFSFJYAWNPZFLI-LBPRGKRZSA-N -1 1 372.368 3.519 20 5 FHBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826497376 607867414 /nfs/dbraw/zinc/86/74/14/607867414.db2.gz FKGTUWOFTVIMIK-UHFFFAOYSA-N -1 1 369.234 3.725 20 5 FHBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826497376 607867415 /nfs/dbraw/zinc/86/74/15/607867415.db2.gz FKGTUWOFTVIMIK-UHFFFAOYSA-N -1 1 369.234 3.725 20 5 FHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000610194430 927901089 /nfs/dbraw/zinc/90/10/89/927901089.db2.gz FRJWHGFBWPKNDR-UHFFFAOYSA-N -1 1 364.423 3.881 20 5 FHBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000182934252 929412374 /nfs/dbraw/zinc/41/23/74/929412374.db2.gz VDINYQVKDDAQMH-UHFFFAOYSA-N -1 1 365.183 3.932 20 5 FHBDMM CCCCCc1nnc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC000119868527 935306310 /nfs/dbraw/zinc/30/63/10/935306310.db2.gz PCFRIPNMZDMABR-UHFFFAOYSA-N -1 1 356.354 3.710 20 5 FHBDMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000136768952 941054701 /nfs/dbraw/zinc/05/47/01/941054701.db2.gz XCFGDFSZKRHZDW-SECBINFHSA-N -1 1 365.183 3.554 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(Cl)c1 ZINC000102748706 942096588 /nfs/dbraw/zinc/09/65/88/942096588.db2.gz RQBISZFENURBTK-UHFFFAOYSA-N -1 1 365.169 3.842 20 5 FHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(OC)cc1C ZINC000435736612 943589161 /nfs/dbraw/zinc/58/91/61/943589161.db2.gz YMEPWXDPOXCBMQ-UHFFFAOYSA-N -1 1 364.423 3.583 20 5 FHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1C ZINC000425959499 944411685 /nfs/dbraw/zinc/41/16/85/944411685.db2.gz KRKZPWVLLQVMCP-UHFFFAOYSA-N -1 1 374.418 3.531 20 5 FHBDMM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426679851 944693755 /nfs/dbraw/zinc/69/37/55/944693755.db2.gz YGAIJNGVYCXAFJ-GOSISDBHSA-N -1 1 366.373 3.640 20 5 FHBDMM O=C([O-])c1coc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000426713260 944715233 /nfs/dbraw/zinc/71/52/33/944715233.db2.gz DDTUUSKDUHTMAK-UHFFFAOYSA-N -1 1 358.375 3.904 20 5 FHBDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000432045356 944946361 /nfs/dbraw/zinc/94/63/61/944946361.db2.gz AVMMEVACVMTLFN-UHFFFAOYSA-N -1 1 374.827 3.622 20 5 FHBDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000516576388 945029275 /nfs/dbraw/zinc/02/92/75/945029275.db2.gz KFCHQIARLFLBJO-UHFFFAOYSA-N -1 1 371.393 3.809 20 5 FHBDMM Cc1sc(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)cc1[N+](=O)[O-] ZINC000108249614 945898679 /nfs/dbraw/zinc/89/86/79/945898679.db2.gz SRTJRUNCWPVJRJ-UHFFFAOYSA-N -1 1 374.447 3.968 20 5 FHBDMM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444848658 947259422 /nfs/dbraw/zinc/25/94/22/947259422.db2.gz MEGAFLXCTOTUEG-SECBINFHSA-N -1 1 369.299 3.547 20 5 FHBDMM COc1cc(C(=O)[N-]c2c(F)cccc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000585698184 948169893 /nfs/dbraw/zinc/16/98/93/948169893.db2.gz OQDVYAHNBSCLFE-UHFFFAOYSA-N -1 1 374.246 3.735 20 5 FHBDMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000536461167 948661856 /nfs/dbraw/zinc/66/18/56/948661856.db2.gz WSWFPXXNCWSYDR-UHFFFAOYSA-N -1 1 364.423 3.800 20 5 FHBDMM O=C(c1ccc(Cl)cc1[O-])N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000436586617 567945502 /nfs/dbraw/zinc/94/55/02/567945502.db2.gz BVSSHKJWWKZCAO-INIZCTEOSA-N -1 1 364.810 3.842 20 5 FHBDMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000569221441 568314176 /nfs/dbraw/zinc/31/41/76/568314176.db2.gz NTHBYBNLFRNZHX-UHFFFAOYSA-N -1 1 370.427 3.955 20 5 FHBDMM Cc1cccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1Cl ZINC000570378037 568481795 /nfs/dbraw/zinc/48/17/95/568481795.db2.gz SHGPAEYQTUGSPX-UHFFFAOYSA-N -1 1 354.815 3.974 20 5 FHBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000007417127 568505394 /nfs/dbraw/zinc/50/53/94/568505394.db2.gz FLELSAWIQCOFSO-UHFFFAOYSA-N -1 1 354.815 3.974 20 5 FHBDMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000007421202 568505956 /nfs/dbraw/zinc/50/59/56/568505956.db2.gz NJUMYXBTXPISHA-UHFFFAOYSA-N -1 1 358.778 3.805 20 5 FHBDMM O=C([O-])c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000426685072 597137184 /nfs/dbraw/zinc/13/71/84/597137184.db2.gz FUMJJOJFEQIQAR-UHFFFAOYSA-N -1 1 352.346 3.843 20 5 FHBDMM O=[N+]([O-])c1cnc(Sc2c(Cl)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000823651696 599258174 /nfs/dbraw/zinc/25/81/74/599258174.db2.gz NUEOKBHXTVACQT-UHFFFAOYSA-N -1 1 369.193 3.628 20 5 FHBDMM C[C@@H](Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736190482 598500399 /nfs/dbraw/zinc/50/03/99/598500399.db2.gz FPTSJHFYYALMND-MRVPVSSYSA-N -1 1 362.802 3.677 20 5 FHBDMM CC(C)c1ccc(CSc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820192395 606705908 /nfs/dbraw/zinc/70/59/08/606705908.db2.gz MFYPRHQAEUGMHW-UHFFFAOYSA-N -1 1 356.411 3.586 20 5 FHBDMM CC(C)c1ccc(CSc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820192395 606705909 /nfs/dbraw/zinc/70/59/09/606705909.db2.gz MFYPRHQAEUGMHW-UHFFFAOYSA-N -1 1 356.411 3.586 20 5 FHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000572896908 936325911 /nfs/dbraw/zinc/32/59/11/936325911.db2.gz PYEWIJUSSLIKBG-UHFFFAOYSA-N -1 1 364.423 3.583 20 5 FHBDMM Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000119681373 935014872 /nfs/dbraw/zinc/01/48/72/935014872.db2.gz ZKUSUBHOFNIKEG-UHFFFAOYSA-N -1 1 360.313 3.723 20 5 FHBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(C)C)s2)cc1SC ZINC000263978167 935521058 /nfs/dbraw/zinc/52/10/58/935521058.db2.gz BCQAXKPYCZQNHO-UHFFFAOYSA-N -1 1 368.440 3.553 20 5 FHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(OC)c1C ZINC000519202005 945212008 /nfs/dbraw/zinc/21/20/08/945212008.db2.gz QFLDMSQYSVUOKH-UHFFFAOYSA-N -1 1 364.423 3.583 20 5 FHBDMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000511262220 938966835 /nfs/dbraw/zinc/96/68/35/938966835.db2.gz ZLOZBXLTLNNKND-UHFFFAOYSA-N -1 1 364.423 3.883 20 5 FHBDMM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)ccc1[N+](=O)[O-] ZINC000179609108 939893714 /nfs/dbraw/zinc/89/37/14/939893714.db2.gz JFAMJFJWCITEFI-UHFFFAOYSA-N -1 1 367.402 3.663 20 5 FHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1[N+](=O)[O-] ZINC000188563644 940077379 /nfs/dbraw/zinc/07/73/79/940077379.db2.gz JTPNINDFVVQATA-UHFFFAOYSA-N -1 1 372.349 3.516 20 5 FHBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c(C)c1O ZINC000177824173 940455780 /nfs/dbraw/zinc/45/57/80/940455780.db2.gz UGAXVEVTKLPWMA-UHFFFAOYSA-N -1 1 370.814 3.680 20 5 FHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000507562912 945333336 /nfs/dbraw/zinc/33/33/36/945333336.db2.gz GHTUVYNOLNYKKB-UHFFFAOYSA-N -1 1 374.777 3.505 20 5 FHBDMM Cc1ccc(SCC(F)(F)F)c([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000137162577 942217968 /nfs/dbraw/zinc/21/79/68/942217968.db2.gz CHVUTMVXOJSQGI-UHFFFAOYSA-N -1 1 360.317 3.533 20 5 FHBDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)o1 ZINC000066814637 942711231 /nfs/dbraw/zinc/71/12/31/942711231.db2.gz JUEUTRMEGMMKQD-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc3ccccc3c2)s1 ZINC000435438111 943417102 /nfs/dbraw/zinc/41/71/02/943417102.db2.gz NTPCQRHBWZRBKR-LSDHHAIUSA-N -1 1 374.443 3.644 20 5 FHBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1C ZINC000435732761 943586545 /nfs/dbraw/zinc/58/65/45/943586545.db2.gz RLTFCMCNTKOWDO-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000515851164 944274424 /nfs/dbraw/zinc/27/44/24/944274424.db2.gz MYILLBCCVXBTNO-INIZCTEOSA-N -1 1 359.382 3.525 20 5 FHBDMM CCc1ccc(-c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)c([O-])c1 ZINC000436877231 944745301 /nfs/dbraw/zinc/74/53/01/944745301.db2.gz FJBBQCAURPSIMQ-UHFFFAOYSA-N -1 1 355.350 3.512 20 5 FHBDMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000107356586 945563673 /nfs/dbraw/zinc/56/36/73/945563673.db2.gz JOXZJVDPHDXVOG-UHFFFAOYSA-N -1 1 374.809 3.943 20 5 FHBDMM CC(C)Sc1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445193280 947591704 /nfs/dbraw/zinc/59/17/04/947591704.db2.gz XEOFGQSAJMWOSM-LLVKDONJSA-N -1 1 361.423 3.687 20 5 FHBDMM O=C([O-])C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 ZINC000585731850 948241135 /nfs/dbraw/zinc/24/11/35/948241135.db2.gz SBEFJRHOAQDPJH-LLVKDONJSA-N -1 1 372.349 3.563 20 5 FHBDMM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])ccc1[N+](=O)[O-] ZINC000075472722 948371934 /nfs/dbraw/zinc/37/19/34/948371934.db2.gz LLCXAABXUNTTQL-UHFFFAOYSA-N -1 1 351.156 3.624 20 5 FHBDMM Cc1cc(C)cc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000500449839 948659384 /nfs/dbraw/zinc/65/93/84/948659384.db2.gz CLNLDTIXPZXIQW-LBPRGKRZSA-N -1 1 368.842 3.905 20 5 FHBDMM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1F ZINC000071977998 221393032 /nfs/dbraw/zinc/39/30/32/221393032.db2.gz JUAXCLQGTZVHCL-UHFFFAOYSA-N -1 1 368.386 3.550 20 5 FHBDMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452878200 567865865 /nfs/dbraw/zinc/86/58/65/567865865.db2.gz MPNYWOTVYJJCRR-CYBMUJFWSA-N -1 1 360.797 3.974 20 5 FHBDMM CCCc1nnc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000079691661 937186878 /nfs/dbraw/zinc/18/68/78/937186878.db2.gz GDMLVTJZDMHASC-UHFFFAOYSA-N -1 1 360.317 3.670 20 5 FHBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000187054319 927877482 /nfs/dbraw/zinc/87/74/82/927877482.db2.gz MRKPIYPEBXVVRT-UHFFFAOYSA-N -1 1 374.777 3.505 20 5 FHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000187178633 928961730 /nfs/dbraw/zinc/96/17/30/928961730.db2.gz RMMFAUFPMBJTDF-MRXNPFEDSA-N -1 1 366.377 3.544 20 5 FHBDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000177717731 930271098 /nfs/dbraw/zinc/27/10/98/930271098.db2.gz PTAYYPKBLCOHKF-UHFFFAOYSA-N -1 1 368.798 3.560 20 5 FHBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(Br)ccc1[O-] ZINC000610664676 933684848 /nfs/dbraw/zinc/68/48/48/933684848.db2.gz ORMGXEZXWCBZSB-UHFFFAOYSA-N -1 1 365.183 3.932 20 5 FHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c([N+](=O)[O-])c1 ZINC000158719625 935934039 /nfs/dbraw/zinc/93/40/39/935934039.db2.gz CDMZRYARUJOECO-UHFFFAOYSA-N -1 1 368.386 3.630 20 5 FHBDMM CSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])cc1 ZINC001211625046 938992597 /nfs/dbraw/zinc/99/25/97/938992597.db2.gz OWCDHGODNCFHJU-SNVBAGLBSA-N -1 1 372.493 3.726 20 5 FHBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000427369646 945319932 /nfs/dbraw/zinc/31/99/32/945319932.db2.gz IYBWQNKKZMFXOL-UHFFFAOYSA-N -1 1 353.334 3.819 20 5 FHBDMM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001143491406 941626867 /nfs/dbraw/zinc/62/68/67/941626867.db2.gz MSQRNGPJPBXDPK-KRWDZBQOSA-N -1 1 371.437 3.959 20 5 FHBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CC(C)C)s2)c1 ZINC000024469580 941661308 /nfs/dbraw/zinc/66/13/08/941661308.db2.gz MWKOHHAXJQLYDI-UHFFFAOYSA-N -1 1 352.441 3.619 20 5 FHBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1C ZINC000435719070 943577917 /nfs/dbraw/zinc/57/79/17/943577917.db2.gz IIFDPTJDRIOWPS-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccco3)s2)c1 ZINC000053315919 943744720 /nfs/dbraw/zinc/74/47/20/943744720.db2.gz DIHHDQBOAFNYQF-UHFFFAOYSA-N -1 1 362.392 3.681 20 5 FHBDMM Cc1nn([C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1[N+](=O)[O-] ZINC000436475133 944356408 /nfs/dbraw/zinc/35/64/08/944356408.db2.gz RTXINGRGVAXXJE-VIFPVBQESA-N -1 1 371.378 3.679 20 5 FHBDMM COc1cc(-c2nc3ccc(Br)cc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000436734754 944564836 /nfs/dbraw/zinc/56/48/36/944564836.db2.gz CHSZFDNIEWYUHC-UHFFFAOYSA-N -1 1 364.155 3.615 20 5 FHBDMM C[C@H](NC(=O)c1cc(Br)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000436795490 944648448 /nfs/dbraw/zinc/64/84/48/944648448.db2.gz FVLZIVDYSWEWHH-VIFPVBQESA-N -1 1 365.183 3.554 20 5 FHBDMM O=C([O-])[C@H](Cc1ccccc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426679852 944693533 /nfs/dbraw/zinc/69/35/33/944693533.db2.gz YGAIJNGVYCXAFJ-SFHVURJKSA-N -1 1 366.373 3.640 20 5 FHBDMM CCSc1cccc(F)c1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000518850700 944843878 /nfs/dbraw/zinc/84/38/78/944843878.db2.gz UGKIBDWQDKTSSC-UHFFFAOYSA-N -1 1 370.427 3.788 20 5 FHBDMM CCOc1cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000092687624 946588189 /nfs/dbraw/zinc/58/81/89/946588189.db2.gz XOLHBEATXIDCQS-UHFFFAOYSA-N -1 1 370.405 3.798 20 5 FHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444669934 947093606 /nfs/dbraw/zinc/09/36/06/947093606.db2.gz XIDUCWYHZIIMTA-CQSZACIVSA-N -1 1 361.785 3.716 20 5 FHBDMM O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4ccc([O-])cc4Cl)no3)c2c1 ZINC000445450655 948810573 /nfs/dbraw/zinc/81/05/73/948810573.db2.gz ZUQPUSRTZPQUEB-UHFFFAOYSA-N -1 1 357.713 3.547 20 5 FHBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000828495054 600821903 /nfs/dbraw/zinc/82/19/03/600821903.db2.gz UWQQRBMTCRVCSJ-HUUCEWRRSA-N -1 1 369.421 3.565 20 5 FHBDMM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186885994 927445435 /nfs/dbraw/zinc/44/54/35/927445435.db2.gz TWJDNXSMYHWAQP-MRVPVSSYSA-N -1 1 370.192 3.835 20 5 FHBDMM Cc1c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000119678419 935020012 /nfs/dbraw/zinc/02/00/12/935020012.db2.gz JNZYZYMPLHRUHD-UHFFFAOYSA-N -1 1 360.313 3.723 20 5 FHBDMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C)c([N+](=O)[O-])c3)cc2s1 ZINC000427116347 945090444 /nfs/dbraw/zinc/09/04/44/945090444.db2.gz GIPVJXHUBWWUCB-UHFFFAOYSA-N -1 1 363.420 3.622 20 5 FHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)C)CC2)cc1F ZINC001211593931 938360565 /nfs/dbraw/zinc/36/05/65/938360565.db2.gz AOENIUFIKXOGAW-KGLIPLIRSA-N -1 1 372.462 3.926 20 5 FHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000543658671 945182310 /nfs/dbraw/zinc/18/23/10/945182310.db2.gz MSRZDGXLRUDLLL-UHFFFAOYSA-N -1 1 356.350 3.950 20 5 FHBDMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000103420716 942261934 /nfs/dbraw/zinc/26/19/34/942261934.db2.gz BYVIRIDCKBDQPH-UHFFFAOYSA-N -1 1 364.402 3.961 20 5 FHBDMM Cc1ccc(-c2nc([N-]C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n[nH]2)cc1 ZINC000514056607 942710424 /nfs/dbraw/zinc/71/04/24/942710424.db2.gz IBGFVZBIKPJYIG-UHFFFAOYSA-N -1 1 363.333 3.687 20 5 FHBDMM CCCCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000517122466 944028247 /nfs/dbraw/zinc/02/82/47/944028247.db2.gz IXEMBEQEQCPETH-UHFFFAOYSA-N -1 1 364.423 3.883 20 5 FHBDMM COc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000438198530 944398327 /nfs/dbraw/zinc/39/83/27/944398327.db2.gz FTNIUMZBPKLAJM-UHFFFAOYSA-N -1 1 353.334 3.976 20 5 FHBDMM O=C([O-])[C@@H](CC1CCCC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426762979 944786252 /nfs/dbraw/zinc/78/62/52/944786252.db2.gz PAYRQAYTQJXBBJ-QGZVFWFLSA-N -1 1 358.394 3.978 20 5 FHBDMM COc1ccccc1[C@@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426784206 944800967 /nfs/dbraw/zinc/80/09/67/944800967.db2.gz PVISZWZCHVDNSH-GOSISDBHSA-N -1 1 358.394 3.642 20 5 FHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000438761650 945000208 /nfs/dbraw/zinc/00/02/08/945000208.db2.gz BZBYBBJCDWTYGX-UHFFFAOYSA-N -1 1 374.340 3.809 20 5 FHBDMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000469887184 945863411 /nfs/dbraw/zinc/86/34/11/945863411.db2.gz HEAPPJINAZPHLZ-UHFFFAOYSA-N -1 1 364.383 3.875 20 5 FHBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000127160829 945977637 /nfs/dbraw/zinc/97/76/37/945977637.db2.gz IYRCFNQZXUJUBC-UHFFFAOYSA-N -1 1 360.313 3.556 20 5 FHBDMM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444861763 947287624 /nfs/dbraw/zinc/28/76/24/947287624.db2.gz UXSAXCDNCWXZQN-SECBINFHSA-N -1 1 369.299 3.547 20 5 FHBDMM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445005787 947428478 /nfs/dbraw/zinc/42/84/78/947428478.db2.gz AFUCIQWNDMJUOT-HNNXBMFYSA-N -1 1 361.785 3.620 20 5 FHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000517909657 567916038 /nfs/dbraw/zinc/91/60/38/567916038.db2.gz IFZIDQFKXVWLLX-UHFFFAOYSA-N -1 1 366.826 3.606 20 5 FHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000007418708 568505462 /nfs/dbraw/zinc/50/54/62/568505462.db2.gz LTKQOEIFSRTNLT-UHFFFAOYSA-N -1 1 362.741 3.636 20 5 FHBDMM O=[N+]([O-])c1cnc(Oc2ccc3oc4ccccc4c3c2)c(-c2nnn[n-]2)c1 ZINC000823651461 599355548 /nfs/dbraw/zinc/35/55/48/599355548.db2.gz KOBIHRFMCDIWFK-UHFFFAOYSA-N -1 1 374.316 3.862 20 5 FHBDMM O=[N+]([O-])c1cnc(Oc2ccc3oc4ccccc4c3c2)c(-c2nn[n-]n2)c1 ZINC000823651461 599355550 /nfs/dbraw/zinc/35/55/50/599355550.db2.gz KOBIHRFMCDIWFK-UHFFFAOYSA-N -1 1 374.316 3.862 20 5 FHBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000825148834 607450170 /nfs/dbraw/zinc/45/01/70/607450170.db2.gz UOSOSRVKXNKJSS-CQSZACIVSA-N -1 1 358.789 3.992 20 5 FHBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000825148834 607450172 /nfs/dbraw/zinc/45/01/72/607450172.db2.gz UOSOSRVKXNKJSS-CQSZACIVSA-N -1 1 358.789 3.992 20 5 FHBDMM O=[N+]([O-])c1ccc2sc(C=Cc3ccc(-c4nn[n-]n4)s3)nc2c1 ZINC000823644657 606388355 /nfs/dbraw/zinc/38/83/55/606388355.db2.gz JXKUQDZBOMPLJV-ZZXKWVIFSA-N -1 1 356.392 3.617 20 5 FHBDMM O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c2ccccc21 ZINC000823644650 606802883 /nfs/dbraw/zinc/80/28/83/606802883.db2.gz JWQBFUDOKZMCDP-UHFFFAOYSA-N -1 1 368.740 3.769 20 5 FHBDMM O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c2ccccc21 ZINC000823644650 606802884 /nfs/dbraw/zinc/80/28/84/606802884.db2.gz JWQBFUDOKZMCDP-UHFFFAOYSA-N -1 1 368.740 3.769 20 5 FHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1C ZINC000135915611 936343193 /nfs/dbraw/zinc/34/31/93/936343193.db2.gz GMLNXTZXZRXKEB-UHFFFAOYSA-N -1 1 357.391 3.561 20 5 FHBDMM O=c1nc(-c2ccc([N+](=O)[O-])s2)[n-]c2sc3c(c21)CCCS3 ZINC000165047445 929085847 /nfs/dbraw/zinc/08/58/47/929085847.db2.gz KBDPYNGSUOEGLY-UHFFFAOYSA-N -1 1 351.434 3.660 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1 ZINC000580087403 930227627 /nfs/dbraw/zinc/22/76/27/930227627.db2.gz UFIQLYXSHJFWDI-UHFFFAOYSA-N -1 1 371.374 3.583 20 5 FHBDMM Cc1sc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)cc1[N+](=O)[O-] ZINC000255377519 930489789 /nfs/dbraw/zinc/48/97/89/930489789.db2.gz XWQMBVZNCCDHGB-PLNGDYQASA-N -1 1 362.392 3.832 20 5 FHBDMM CCc1ccc([C@@H]2CCCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000187565466 933003738 /nfs/dbraw/zinc/00/37/38/933003738.db2.gz WYDIZZYVPGOMNY-AWEZNQCLSA-N -1 1 359.382 3.608 20 5 FHBDMM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1F ZINC000582374280 935579765 /nfs/dbraw/zinc/57/97/65/935579765.db2.gz JIKNHDROUMKVHB-UHFFFAOYSA-N -1 1 369.146 3.763 20 5 FHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000188277389 939127783 /nfs/dbraw/zinc/12/77/83/939127783.db2.gz UFZIGQLAFVKSIH-KRWDZBQOSA-N -1 1 363.373 3.826 20 5 FHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1[N+](=O)[O-] ZINC000427346766 945302876 /nfs/dbraw/zinc/30/28/76/945302876.db2.gz XGAZOMQTPBNPTI-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2ccccn2)cc1 ZINC000579901740 940420366 /nfs/dbraw/zinc/42/03/66/940420366.db2.gz GHRRPGRWNOYGSO-UHFFFAOYSA-N -1 1 369.402 3.766 20 5 FHBDMM O=C([O-])Cc1ccccc1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426679418 944693839 /nfs/dbraw/zinc/69/38/39/944693839.db2.gz VYXPNCZOPJFBEV-UHFFFAOYSA-N -1 1 366.373 3.772 20 5 FHBDMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000511696204 944911157 /nfs/dbraw/zinc/91/11/57/944911157.db2.gz VAWSMQYHUNDXJJ-GFCCVEGCSA-N -1 1 350.396 3.573 20 5 FHBDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000519041271 945062831 /nfs/dbraw/zinc/06/28/31/945062831.db2.gz IYHWUTWJGNRBQL-UHFFFAOYSA-N -1 1 370.814 3.504 20 5 FHBDMM Cc1sc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)cc1[N+](=O)[O-] ZINC000107200302 945518328 /nfs/dbraw/zinc/51/83/28/945518328.db2.gz YZXTWSLBDNPNHM-UHFFFAOYSA-N -1 1 360.420 3.659 20 5 FHBDMM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444997863 947392579 /nfs/dbraw/zinc/39/25/79/947392579.db2.gz QBGAEOCHRYKKEY-GUYCJALGSA-N -1 1 355.394 3.617 20 5 FHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1C ZINC000071977273 221392041 /nfs/dbraw/zinc/39/20/41/221392041.db2.gz ZHMGNOFBAQWJEW-UHFFFAOYSA-N -1 1 364.423 3.800 20 5 FHBDMM O=[N+]([O-])c1cnc(Sc2cc(Cl)ccc2Cl)c(-c2nn[n-]n2)c1 ZINC000823652267 599152495 /nfs/dbraw/zinc/15/24/95/599152495.db2.gz XUIFNWBCJUEADW-UHFFFAOYSA-N -1 1 369.193 3.628 20 5 FHBDMM O=C([O-])c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)o1 ZINC000740132016 600524225 /nfs/dbraw/zinc/52/42/25/600524225.db2.gz AHQDMHCTDNRSIK-UHFFFAOYSA-N -1 1 358.375 3.904 20 5 FHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000827058534 601658064 /nfs/dbraw/zinc/65/80/64/601658064.db2.gz IWMSLXDDIHIPHC-KUHUBIRLSA-N -1 1 372.421 3.934 20 5 FHBDMM Cc1c(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000832853751 601902026 /nfs/dbraw/zinc/90/20/26/601902026.db2.gz UKKKVNPZCLXDGA-INIZCTEOSA-N -1 1 368.311 3.578 20 5 FHBDMM O=[N+]([O-])c1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)c2ccccc21 ZINC000826499519 608189727 /nfs/dbraw/zinc/18/97/27/608189727.db2.gz LZJJCQZMYPNVSU-UHFFFAOYSA-N -1 1 374.769 3.830 20 5 FHBDMM Cc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1[N+](=O)[O-] ZINC000176434057 937166401 /nfs/dbraw/zinc/16/64/01/937166401.db2.gz UDJSEOWJUPVMQF-UHFFFAOYSA-N -1 1 351.156 3.624 20 5 FHBDMM O=C(Nc1cccc(CSc2ccccn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000509835981 929033976 /nfs/dbraw/zinc/03/39/76/929033976.db2.gz CLBCAHMBRZIVBN-UHFFFAOYSA-N -1 1 354.391 3.863 20 5 FHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1[N+](=O)[O-] ZINC000134052358 929747066 /nfs/dbraw/zinc/74/70/66/929747066.db2.gz LCPWEHIUXRDZTC-UHFFFAOYSA-N -1 1 374.422 3.635 20 5 FHBDMM CCOc1cc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000601087871 932942469 /nfs/dbraw/zinc/94/24/69/932942469.db2.gz JXYOJMBRMLPOBQ-UHFFFAOYSA-N -1 1 361.423 3.967 20 5 FHBDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000134686437 933020292 /nfs/dbraw/zinc/02/02/92/933020292.db2.gz WBZVZCSJCQPTFK-UHFFFAOYSA-N -1 1 373.390 3.667 20 5 FHBDMM Cc1c([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000535654189 933454328 /nfs/dbraw/zinc/45/43/28/933454328.db2.gz DSSIULNEFVIDMX-UHFFFAOYSA-N -1 1 364.423 3.739 20 5 FHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)C)CC2)cc1F ZINC001211593930 938360409 /nfs/dbraw/zinc/36/04/09/938360409.db2.gz AOENIUFIKXOGAW-KBPBESRZSA-N -1 1 372.462 3.926 20 5 FHBDMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000543860129 940378236 /nfs/dbraw/zinc/37/82/36/940378236.db2.gz PRPSGHFECAJOQS-GFCCVEGCSA-N -1 1 364.423 3.918 20 5 FHBDMM CCSc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000505322564 942463181 /nfs/dbraw/zinc/46/31/81/942463181.db2.gz IPFKZLVFVABROY-UHFFFAOYSA-N -1 1 352.437 3.816 20 5 FHBDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(F)(F)F ZINC000416605883 943008068 /nfs/dbraw/zinc/00/80/68/943008068.db2.gz YXRAVAFTKHHKJB-MRVPVSSYSA-N -1 1 374.768 3.505 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(Cl)c3)C2)s1 ZINC000435589858 943506738 /nfs/dbraw/zinc/50/67/38/943506738.db2.gz SVTFILBVWMWHOO-UMSPYCQHSA-N -1 1 372.855 3.534 20 5 FHBDMM Cc1sc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] ZINC000504121053 943511908 /nfs/dbraw/zinc/51/19/08/943511908.db2.gz RWCBSHBJUWFYFK-UHFFFAOYSA-N -1 1 363.786 3.656 20 5 FHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)[n-]1 ZINC000504872756 943861483 /nfs/dbraw/zinc/86/14/83/943861483.db2.gz JWWBHELTCRHESJ-UHFFFAOYSA-N -1 1 367.296 3.966 20 5 FHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000515851166 944274492 /nfs/dbraw/zinc/27/44/92/944274492.db2.gz MYILLBCCVXBTNO-MRXNPFEDSA-N -1 1 359.382 3.525 20 5 FHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1Cl ZINC000473768848 944387610 /nfs/dbraw/zinc/38/76/10/944387610.db2.gz YYBLCBGFAMTRJG-UHFFFAOYSA-N -1 1 370.814 3.674 20 5 FHBDMM O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000518714745 944626671 /nfs/dbraw/zinc/62/66/71/944626671.db2.gz DKZYDRXHIQRWMP-UHFFFAOYSA-N -1 1 354.391 3.787 20 5 FHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1C ZINC000509599560 944763214 /nfs/dbraw/zinc/76/32/14/944763214.db2.gz GINDBDKOENOUQZ-UHFFFAOYSA-N -1 1 356.350 3.950 20 5 FHBDMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000511730970 944978629 /nfs/dbraw/zinc/97/86/29/944978629.db2.gz VPQYIFDAJSPGAF-CYBMUJFWSA-N -1 1 364.423 3.881 20 5 FHBDMM CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000439883279 945061302 /nfs/dbraw/zinc/06/13/02/945061302.db2.gz STZLUWNEPPCWMX-UHFFFAOYSA-N -1 1 351.746 3.997 20 5 FHBDMM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729490000 946736918 /nfs/dbraw/zinc/73/69/18/946736918.db2.gz AODDSSMGQIGHEL-CQSZACIVSA-N -1 1 366.826 3.522 20 5 FHBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000444826302 947240987 /nfs/dbraw/zinc/24/09/87/947240987.db2.gz LUTAGNAJRLKJDV-ZCFIWIBFSA-N -1 1 374.155 3.632 20 5 FHBDMM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444997865 947392221 /nfs/dbraw/zinc/39/22/21/947392221.db2.gz QBGAEOCHRYKKEY-SUMWQHHRSA-N -1 1 355.394 3.617 20 5 FHBDMM COc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000436653680 568253686 /nfs/dbraw/zinc/25/36/86/568253686.db2.gz CDLCVYVNQSLLLU-UHFFFAOYSA-N -1 1 353.256 3.871 20 5 FHBDMM C[C@@H](CN(Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736583247 600215191 /nfs/dbraw/zinc/21/51/91/600215191.db2.gz LUPSURIRXQCNEQ-ZDUSSCGKSA-N -1 1 362.813 3.971 20 5 FHBDMM O=C([O-])c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)o1 ZINC000740133143 600524571 /nfs/dbraw/zinc/52/45/71/600524571.db2.gz XZUILEHNDVCDJQ-UHFFFAOYSA-N -1 1 358.375 3.904 20 5 FHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)cc1 ZINC000610194786 927897998 /nfs/dbraw/zinc/89/79/98/927897998.db2.gz YJYADUGQVNYXKK-UHFFFAOYSA-N -1 1 364.423 3.881 20 5 FHBDMM Cc1cc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000539854576 935316266 /nfs/dbraw/zinc/31/62/66/935316266.db2.gz CXZGQAPJQNGNPF-UHFFFAOYSA-N -1 1 374.340 3.864 20 5 FHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000511131182 935748172 /nfs/dbraw/zinc/74/81/72/935748172.db2.gz NCOXWACPWQENSB-UHFFFAOYSA-N -1 1 364.423 3.739 20 5 FHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000519202617 945213964 /nfs/dbraw/zinc/21/39/64/945213964.db2.gz DEPVFSZTKOXZDZ-UHFFFAOYSA-N -1 1 354.815 3.920 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c(Cl)c1 ZINC000047521928 945260054 /nfs/dbraw/zinc/26/00/54/945260054.db2.gz XWDUENZJMOTPRL-UHFFFAOYSA-N -1 1 365.169 3.842 20 5 FHBDMM Cc1cc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)s1 ZINC000516783709 940045824 /nfs/dbraw/zinc/04/58/24/940045824.db2.gz AGGPNDNLOOPBPG-VIFPVBQESA-N -1 1 374.871 3.966 20 5 FHBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000066001398 940175829 /nfs/dbraw/zinc/17/58/29/940175829.db2.gz GXRMLZVRYUTVFM-UHFFFAOYSA-N -1 1 374.871 3.566 20 5 FHBDMM C[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000066047607 940230907 /nfs/dbraw/zinc/23/09/07/940230907.db2.gz MKNOIJKWSBPNQB-SECBINFHSA-N -1 1 365.183 3.554 20 5 FHBDMM Cc1cc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc(C)c1F ZINC000180159710 940720624 /nfs/dbraw/zinc/72/06/24/940720624.db2.gz RWZJQPXRBWFVGL-UHFFFAOYSA-N -1 1 352.387 3.768 20 5 FHBDMM Cc1sc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1[N+](=O)[O-] ZINC000182917033 941987756 /nfs/dbraw/zinc/98/77/56/941987756.db2.gz ZFBFMAHRVSODTA-UHFFFAOYSA-N -1 1 371.212 3.994 20 5 FHBDMM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444849687 947261955 /nfs/dbraw/zinc/26/19/55/947261955.db2.gz OBVDUVYQQLNMOA-MRVPVSSYSA-N -1 1 370.192 3.835 20 5 FHBDMM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445005790 947428222 /nfs/dbraw/zinc/42/82/22/947428222.db2.gz AFUCIQWNDMJUOT-OAHLLOKOSA-N -1 1 361.785 3.620 20 5 FHBDMM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(-c4nn[n-]n4)s3)nc2c1 ZINC000823644199 606339968 /nfs/dbraw/zinc/33/99/68/606339968.db2.gz GPMBZNJPHJGEEC-RMKNXTFCSA-N -1 1 374.769 3.715 20 5 FHBDMM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1[N+](=O)[O-] ZINC000176437680 937162536 /nfs/dbraw/zinc/16/25/36/937162536.db2.gz KUKHKANMAOCGMK-UHFFFAOYSA-N -1 1 351.156 3.624 20 5 FHBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1C ZINC000581510061 932185942 /nfs/dbraw/zinc/18/59/42/932185942.db2.gz DHPNQIYLAOUEAB-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM CCC(CC)c1nnc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])s1 ZINC000115857808 935906193 /nfs/dbraw/zinc/90/61/93/935906193.db2.gz HOBHSGJWSQWDEK-UHFFFAOYSA-N -1 1 350.400 3.611 20 5 FHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)C)CC2)cc1F ZINC001211593932 938360508 /nfs/dbraw/zinc/36/05/08/938360508.db2.gz AOENIUFIKXOGAW-UONOGXRCSA-N -1 1 372.462 3.926 20 5 FHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CC1 ZINC000146626898 938996493 /nfs/dbraw/zinc/99/64/93/938996493.db2.gz LSKMJKUPPKMHBB-HNNXBMFYSA-N -1 1 366.826 3.678 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c(Cl)c1 ZINC000047521879 945260120 /nfs/dbraw/zinc/26/01/20/945260120.db2.gz CTEMCLSGRLTPEH-UHFFFAOYSA-N -1 1 365.169 3.842 20 5 FHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Cl ZINC000613112166 940455752 /nfs/dbraw/zinc/45/57/52/940455752.db2.gz UXMVJBUFLFGWKZ-UHFFFAOYSA-N -1 1 370.814 3.674 20 5 FHBDMM O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414677201 941434385 /nfs/dbraw/zinc/43/43/85/941434385.db2.gz HVNXSRABXVXRFR-INIZCTEOSA-N -1 1 374.368 3.965 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1 ZINC000505304120 942459429 /nfs/dbraw/zinc/45/94/29/942459429.db2.gz FFPMDXAWMMLYQT-UHFFFAOYSA-N -1 1 371.374 3.583 20 5 FHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3Cl)C2)s1 ZINC000549990694 943774866 /nfs/dbraw/zinc/77/48/66/943774866.db2.gz XENSQGWIYLTFRC-MGCOHNPYSA-N -1 1 372.855 3.534 20 5 FHBDMM CC(C)c1ccc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC000417646980 943780757 /nfs/dbraw/zinc/78/07/57/943780757.db2.gz JZYOWSDRVGHICM-UHFFFAOYSA-N -1 1 364.348 3.984 20 5 FHBDMM O=C(Nc1ccc(N2CCCCC2)c2ncccc12)c1ccc([N+](=O)[O-])[n-]1 ZINC000473599496 944394795 /nfs/dbraw/zinc/39/47/95/944394795.db2.gz ODHKTDPLKFMAQK-UHFFFAOYSA-N -1 1 365.393 3.714 20 5 FHBDMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000511709474 944934637 /nfs/dbraw/zinc/93/46/37/944934637.db2.gz APKXHEJFKNOUBG-ZDUSSCGKSA-N -1 1 364.423 3.881 20 5 FHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000127150307 945798200 /nfs/dbraw/zinc/79/82/00/945798200.db2.gz OULVSWLCQAEPMU-UHFFFAOYSA-N -1 1 374.340 3.864 20 5 FHBDMM CSc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC000544614751 947175224 /nfs/dbraw/zinc/17/52/24/947175224.db2.gz KVJQXTPDUYRPLP-UHFFFAOYSA-N -1 1 352.437 3.734 20 5 FHBDMM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000523418969 947249740 /nfs/dbraw/zinc/24/97/40/947249740.db2.gz LTUZJAOERYJHPI-LBPRGKRZSA-N -1 1 368.842 3.639 20 5 FHBDMM CSc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000541799446 567868380 /nfs/dbraw/zinc/86/83/80/567868380.db2.gz HXVVQMNXKNWBPE-UHFFFAOYSA-N -1 1 352.437 3.734 20 5 FHBDMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000007373214 568503340 /nfs/dbraw/zinc/50/33/40/568503340.db2.gz UIDZDQFELIYUKS-UHFFFAOYSA-N -1 1 354.815 3.974 20 5 FHBDMM O=[N+]([O-])c1cnc(Oc2ccc3c(c2)[nH]c2ccccc23)c(-c2nnn[n-]2)c1 ZINC000823652275 599276228 /nfs/dbraw/zinc/27/62/28/599276228.db2.gz YEAJITUAKRFALV-UHFFFAOYSA-N -1 1 373.332 3.597 20 5 FHBDMM O=[N+]([O-])c1cnc(Oc2ccc3c(c2)[nH]c2ccccc23)c(-c2nn[n-]n2)c1 ZINC000823652275 599276229 /nfs/dbraw/zinc/27/62/29/599276229.db2.gz YEAJITUAKRFALV-UHFFFAOYSA-N -1 1 373.332 3.597 20 5 FHBDMM Cc1c(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000832853754 601902043 /nfs/dbraw/zinc/90/20/43/601902043.db2.gz UKKKVNPZCLXDGA-MRXNPFEDSA-N -1 1 368.311 3.578 20 5 FHBDMM C[C@@H](Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000820555738 606702639 /nfs/dbraw/zinc/70/26/39/606702639.db2.gz OTKVMGUHRURJRH-MRVPVSSYSA-N -1 1 362.802 3.677 20 5 FHBDMM C[C@@H](Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000820555738 606702640 /nfs/dbraw/zinc/70/26/40/606702640.db2.gz OTKVMGUHRURJRH-MRVPVSSYSA-N -1 1 362.802 3.677 20 5 FHBDMM CC(C)(C)Sc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819950248 606706475 /nfs/dbraw/zinc/70/64/75/606706475.db2.gz GGWSIDNUAOVXIB-UHFFFAOYSA-N -1 1 371.426 3.804 20 5 FHBDMM CC(C)(C)Sc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819950248 606706476 /nfs/dbraw/zinc/70/64/76/606706476.db2.gz GGWSIDNUAOVXIB-UHFFFAOYSA-N -1 1 371.426 3.804 20 5 FHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(-c2ccccc2)cc1 ZINC000823630257 607162232 /nfs/dbraw/zinc/16/22/32/607162232.db2.gz UQEWOXPTGPTDHG-UHFFFAOYSA-N -1 1 360.333 3.629 20 5 FHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(-c2ccccc2)cc1 ZINC000823630257 607162233 /nfs/dbraw/zinc/16/22/33/607162233.db2.gz UQEWOXPTGPTDHG-UHFFFAOYSA-N -1 1 360.333 3.629 20 5 FHBDMM CCCCc1nnc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])s1 ZINC000023363933 927173671 /nfs/dbraw/zinc/17/36/71/927173671.db2.gz TURRVJPKOIIJHP-UHFFFAOYSA-N -1 1 352.441 3.763 20 5 FHBDMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC000119582559 934899185 /nfs/dbraw/zinc/89/91/85/934899185.db2.gz PCUUSWSXQPTFIQ-UHFFFAOYSA-N -1 1 374.422 3.569 20 5 FHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000135606135 938981688 /nfs/dbraw/zinc/98/16/88/938981688.db2.gz NLDCFCHMTWBNMV-UHFFFAOYSA-N -1 1 362.407 3.543 20 5 FHBDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1C ZINC000518247154 945243189 /nfs/dbraw/zinc/24/31/89/945243189.db2.gz NMYCUNQUYJHIJG-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc(-c2ccccn2)n1 ZINC000066019190 940206326 /nfs/dbraw/zinc/20/63/26/940206326.db2.gz BUAACHZSTOOKOY-UHFFFAOYSA-N -1 1 362.317 3.644 20 5 FHBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c[nH]nc1-c1ccsc1 ZINC000189001535 941142854 /nfs/dbraw/zinc/14/28/54/941142854.db2.gz JTUDELYFJSDWOI-UHFFFAOYSA-N -1 1 364.770 3.658 20 5 FHBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000182915318 941987204 /nfs/dbraw/zinc/98/72/04/941987204.db2.gz MDOSNOJNIDSWMX-UHFFFAOYSA-N -1 1 351.156 3.624 20 5 FHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1C ZINC000015243265 942079565 /nfs/dbraw/zinc/07/95/65/942079565.db2.gz BEAVUWRBSWQALP-UHFFFAOYSA-N -1 1 354.815 3.974 20 5 FHBDMM CC(C)(C)c1coc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000517754960 943392425 /nfs/dbraw/zinc/39/24/25/943392425.db2.gz JGRLIFLKVKZHQC-UHFFFAOYSA-N -1 1 374.216 3.957 20 5 FHBDMM COc1ccc(-c2ccc(CN3CCC[C@@H](C)[C@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000424414103 943911270 /nfs/dbraw/zinc/91/12/70/943911270.db2.gz GXPZNNWWPMFHHY-XIKOKIGWSA-N -1 1 374.393 3.549 20 5 FHBDMM O=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000515826232 944246002 /nfs/dbraw/zinc/24/60/02/944246002.db2.gz ADFMYUOHSLKBRS-UHFFFAOYSA-N -1 1 355.325 3.893 20 5 FHBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000436515892 944384726 /nfs/dbraw/zinc/38/47/26/944384726.db2.gz UEDITRWJAASLBP-UHFFFAOYSA-N -1 1 372.358 3.554 20 5 FHBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000473774526 944427015 /nfs/dbraw/zinc/42/70/15/944427015.db2.gz SQKHFRBMIMNSSV-UHFFFAOYSA-N -1 1 357.391 3.561 20 5 FHBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc2ccccc2c1[O-] ZINC000436826265 944694427 /nfs/dbraw/zinc/69/44/27/944694427.db2.gz JTISZZOXPYYISW-UHFFFAOYSA-N -1 1 350.374 3.768 20 5 FHBDMM CC(C)(c1nc(-c2ccc([O-])c(F)c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000436879402 944753097 /nfs/dbraw/zinc/75/30/97/944753097.db2.gz NCRTVVSPYLKNMF-UHFFFAOYSA-N -1 1 361.304 3.955 20 5 FHBDMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000511710474 944935875 /nfs/dbraw/zinc/93/58/75/944935875.db2.gz QVJDAOOUSPDFGC-LBPRGKRZSA-N -1 1 364.423 3.881 20 5 FHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000507643911 945411011 /nfs/dbraw/zinc/41/10/11/945411011.db2.gz JIMZLOQMHWDZBW-UHFFFAOYSA-N -1 1 358.778 3.805 20 5 FHBDMM CC(C)Cc1coc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000894440275 945650108 /nfs/dbraw/zinc/65/01/08/945650108.db2.gz WXDCTRWYEFDHEB-UHFFFAOYSA-N -1 1 374.216 3.858 20 5 FHBDMM CC(C)[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000549536738 945873543 /nfs/dbraw/zinc/87/35/43/945873543.db2.gz WZBIMMPPXZZONP-IBGZPJMESA-N -1 1 358.394 3.559 20 5 FHBDMM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444848660 947259376 /nfs/dbraw/zinc/25/93/76/947259376.db2.gz MEGAFLXCTOTUEG-VIFPVBQESA-N -1 1 369.299 3.547 20 5 FHBDMM O=C(NCC1(Sc2ccccc2)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445193545 947583853 /nfs/dbraw/zinc/58/38/53/947583853.db2.gz ZVSILBYYKQWOPY-UHFFFAOYSA-N -1 1 373.434 3.530 20 5 FHBDMM CC(C)c1ccc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000523940027 947747213 /nfs/dbraw/zinc/74/72/13/947747213.db2.gz QHHJSIPLJZYFHT-UHFFFAOYSA-N -1 1 368.480 3.691 20 5 FHBDMM O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000487388978 947811729 /nfs/dbraw/zinc/81/17/29/947811729.db2.gz SADQPDRLCPENEX-UHFFFAOYSA-N -1 1 364.333 3.501 20 5 FHBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1Cl ZINC000006328259 948393059 /nfs/dbraw/zinc/39/30/59/948393059.db2.gz AYTBSNYIHXMCNV-UHFFFAOYSA-N -1 1 366.826 3.928 20 5 FHBDMM C[C@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000520629018 948443271 /nfs/dbraw/zinc/44/32/71/948443271.db2.gz QFUVBCQSSRLQOI-GFCCVEGCSA-N -1 1 368.480 3.691 20 5 FHBDMM Cc1cc(C)cc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000500449838 948637470 /nfs/dbraw/zinc/63/74/70/948637470.db2.gz CLNLDTIXPZXIQW-GFCCVEGCSA-N -1 1 368.842 3.905 20 5 FHBDMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452864461 567833302 /nfs/dbraw/zinc/83/33/02/567833302.db2.gz WNJFQYZEFIBQRV-GFCCVEGCSA-N -1 1 362.332 3.598 20 5 FHBDMM CCOc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc(Cl)c1[O-] ZINC000481461885 567958001 /nfs/dbraw/zinc/95/80/01/567958001.db2.gz BYBAWMVDBXNUGI-UHFFFAOYSA-N -1 1 364.785 3.591 20 5 FHBDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000007419378 568505539 /nfs/dbraw/zinc/50/55/39/568505539.db2.gz HIGIWFVNPDHCGQ-UHFFFAOYSA-N -1 1 354.815 3.974 20 5 FHBDMM C[C@H](CN(Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000736584092 600402256 /nfs/dbraw/zinc/40/22/56/600402256.db2.gz PBDYVEUAYBDPOU-CYBMUJFWSA-N -1 1 362.813 3.971 20 5 FHBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000828495052 600821889 /nfs/dbraw/zinc/82/18/89/600821889.db2.gz UWQQRBMTCRVCSJ-GJZGRUSLSA-N -1 1 369.421 3.565 20 5 FHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SCc1cccc2ccccc21 ZINC000823629743 606706454 /nfs/dbraw/zinc/70/64/54/606706454.db2.gz GFOHVYFNRPWMNB-UHFFFAOYSA-N -1 1 364.390 3.615 20 5 FHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1SCc1cccc2ccccc21 ZINC000823629743 606706455 /nfs/dbraw/zinc/70/64/55/606706455.db2.gz GFOHVYFNRPWMNB-UHFFFAOYSA-N -1 1 364.390 3.615 20 5 FHBDMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000033745410 936325992 /nfs/dbraw/zinc/32/59/92/936325992.db2.gz AGXFVJXJYSHION-UHFFFAOYSA-N -1 1 374.809 3.943 20 5 FHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000187178613 928960431 /nfs/dbraw/zinc/96/04/31/928960431.db2.gz RMMFAUFPMBJTDF-INIZCTEOSA-N -1 1 366.377 3.544 20 5 FHBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c2cccnc21 ZINC000588467844 934271307 /nfs/dbraw/zinc/27/13/07/934271307.db2.gz PSXLJINEDJVSQJ-LUAWRHEFSA-N -1 1 373.365 3.695 20 5 FHBDMM CC(C)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001211560730 936222123 /nfs/dbraw/zinc/22/21/23/936222123.db2.gz KNVGUMZKSDMGDB-UHFFFAOYSA-N -1 1 368.842 3.850 20 5 FHBDMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000516787858 945241403 /nfs/dbraw/zinc/24/14/03/945241403.db2.gz SNNYLVUPPGIULD-HNNXBMFYSA-N -1 1 368.842 3.924 20 5 FHBDMM Cc1sc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)cc1[N+](=O)[O-] ZINC000507546368 945319377 /nfs/dbraw/zinc/31/93/77/945319377.db2.gz FVHGFFLQFDEZMT-UHFFFAOYSA-N -1 1 364.807 3.866 20 5 FHBDMM Cc1c(Br)cc(C(=O)Nc2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000511635419 943692133 /nfs/dbraw/zinc/69/21/33/943692133.db2.gz GHXFBFJOHBDQEU-UHFFFAOYSA-N -1 1 369.146 3.763 20 5 FHBDMM CC(C)(c1nc(-c2ccc([O-])cc2F)no1)c1ccc([N+](=O)[O-])cc1F ZINC000436880162 944751919 /nfs/dbraw/zinc/75/19/19/944751919.db2.gz PMBDRHIASJVJLG-UHFFFAOYSA-N -1 1 361.304 3.955 20 5 FHBDMM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000426825027 944849186 /nfs/dbraw/zinc/84/91/86/944849186.db2.gz KKJBVGAHZRHDDX-CQSZACIVSA-N -1 1 364.785 3.562 20 5 FHBDMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000511710473 944935991 /nfs/dbraw/zinc/93/59/91/944935991.db2.gz QVJDAOOUSPDFGC-GFCCVEGCSA-N -1 1 364.423 3.881 20 5 FHBDMM CCOCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000438716511 944943611 /nfs/dbraw/zinc/94/36/11/944943611.db2.gz HXZCMPDKILVPOF-UHFFFAOYSA-N -1 1 364.423 3.549 20 5 FHBDMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000511740120 944974660 /nfs/dbraw/zinc/97/46/60/944974660.db2.gz UIWJAQOWVALNQT-GFCCVEGCSA-N -1 1 364.423 3.881 20 5 FHBDMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000511730972 944977937 /nfs/dbraw/zinc/97/79/37/944977937.db2.gz VPQYIFDAJSPGAF-ZDUSSCGKSA-N -1 1 364.423 3.881 20 5 FHBDMM COc1c(C)ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1C ZINC000541801179 567856870 /nfs/dbraw/zinc/85/68/70/567856870.db2.gz XOOCUQLWYHYJLQ-UHFFFAOYSA-N -1 1 364.423 3.638 20 5 FHBDMM Cc1cc(N2CCC(C(C)(C)C(=O)[O-])CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000569813241 568426888 /nfs/dbraw/zinc/42/68/88/568426888.db2.gz BGNJSQKNYZUTQD-UHFFFAOYSA-N -1 1 357.410 3.779 20 5 FHBDMM