smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000417611054 1090939162 /nfs/dbraw/zinc/93/91/62/1090939162.db2.gz AGORIFHAFHYFPR-ZWKOTPCHSA-N -1 3 354.406 4.121 20 5 FIBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000473336837 1092743984 /nfs/dbraw/zinc/74/39/84/1092743984.db2.gz ANKOBDGKOKQGPF-UHFFFAOYSA-N -1 3 361.716 4.295 20 5 FIBDHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000515722635 1098875474 /nfs/dbraw/zinc/87/54/74/1098875474.db2.gz DLXPEKFSYCMUKJ-MRXNPFEDSA-N -1 3 368.480 4.112 20 5 FIBDHM COc1ccc2oc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)c(C)c2c1 ZINC000897471278 1102725272 /nfs/dbraw/zinc/72/52/72/1102725272.db2.gz LQALLEHTWYMVJJ-UHFFFAOYSA-N -1 3 362.288 4.189 20 5 FIBDHM Cc1cccc(F)c1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486121241 1113509237 /nfs/dbraw/zinc/50/92/37/1113509237.db2.gz ZNJXZLISLVRTKM-UHFFFAOYSA-N -1 3 359.176 4.119 20 5 FIBDHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)s2)o1 ZINC000059742150 1115555219 /nfs/dbraw/zinc/55/52/19/1115555219.db2.gz WXNDVGUHYNVLSY-UHFFFAOYSA-N -1 3 361.354 4.320 20 5 FIBDHM CCCCOc1ccc([C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC000596080764 1115573735 /nfs/dbraw/zinc/57/37/35/1115573735.db2.gz MMUKUVXAJQDRKN-GFCCVEGCSA-N -1 3 361.398 4.056 20 5 FIBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000596177093 1115578775 /nfs/dbraw/zinc/57/87/75/1115578775.db2.gz CXFWEKWOJJDWAR-WCQYABFASA-N -1 3 367.327 4.462 20 5 FIBDHM O=c1[n-]ccc(N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000596230461 1115579834 /nfs/dbraw/zinc/57/98/34/1115579834.db2.gz LFEYEQBSURJEGX-GFCCVEGCSA-N -1 3 367.327 4.098 20 5 FIBDHM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154595628 1122512354 /nfs/dbraw/zinc/51/23/54/1122512354.db2.gz SYBRPRGUNYAKDO-UHFFFAOYSA-N -1 3 366.811 4.081 20 5 FIBDHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1ccccc1[N+](=O)[O-] ZINC000078189222 1125436823 /nfs/dbraw/zinc/43/68/23/1125436823.db2.gz KZLJQEVEXTZGGO-UHFFFAOYSA-N -1 3 356.325 4.343 20 5 FIBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3F)co2)c1 ZINC000482134835 568280045 /nfs/dbraw/zinc/28/00/45/568280045.db2.gz DAWZZWXTPAEIGE-UHFFFAOYSA-N -1 3 373.365 4.363 20 5 FIBDHM Cc1cc(C)c(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)c(C)c1 ZINC000007796186 1092422036 /nfs/dbraw/zinc/42/20/36/1092422036.db2.gz CZNVLXBWFDBLNJ-UHFFFAOYSA-N -1 3 357.391 4.489 20 5 FIBDHM CC(C)c1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c([O-])c1 ZINC000436934931 1099447549 /nfs/dbraw/zinc/44/75/49/1099447549.db2.gz UTXNQVJJRXAJMT-UHFFFAOYSA-N -1 3 368.393 4.128 20 5 FIBDHM CCc1c([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)onc1C(F)(F)F ZINC000505949225 1099558319 /nfs/dbraw/zinc/55/83/19/1099558319.db2.gz ZNTVSZWNFSHVLQ-UHFFFAOYSA-N -1 3 369.255 4.163 20 5 FIBDHM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000426742432 1102959126 /nfs/dbraw/zinc/95/91/26/1102959126.db2.gz JTRJTYZRRUZAAL-KRWDZBQOSA-N -1 3 362.813 4.287 20 5 FIBDHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000426808149 1102989213 /nfs/dbraw/zinc/98/92/13/1102989213.db2.gz KZDSPMPRHNZNRV-QGZVFWFLSA-N -1 3 372.421 4.032 20 5 FIBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SC(F)F)c1 ZINC000067538839 1107781879 /nfs/dbraw/zinc/78/18/79/1107781879.db2.gz ZOECLYBISROFPZ-UHFFFAOYSA-N -1 3 354.334 4.170 20 5 FIBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000057681300 1114975971 /nfs/dbraw/zinc/97/59/71/1114975971.db2.gz DUQBZXURANYLPC-VIFPVBQESA-N -1 3 352.799 4.073 20 5 FIBDHM O=c1[n-]ccc(N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596074470 1115573426 /nfs/dbraw/zinc/57/34/26/1115573426.db2.gz UZEIMFDTQGWKKT-JIGDXULJSA-N -1 3 373.253 4.017 20 5 FIBDHM O=c1[n-]ccc(N2CCC[C@@H](Cc3csc4ccccc34)C2)c1[N+](=O)[O-] ZINC000596196607 1115576980 /nfs/dbraw/zinc/57/69/80/1115576980.db2.gz SEJZGXREENZGHM-ZDUSSCGKSA-N -1 3 369.446 4.369 20 5 FIBDHM O=c1[n-]ccc(N2CCC(Sc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000596169745 1115578203 /nfs/dbraw/zinc/57/82/03/1115578203.db2.gz KPOKYWVDXDGDIA-UHFFFAOYSA-N -1 3 365.842 4.110 20 5 FIBDHM O=c1[n-]ccc(N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000596219514 1115579141 /nfs/dbraw/zinc/57/91/41/1115579141.db2.gz BOQOXGGSOPJDQQ-MGCOHNPYSA-N -1 3 354.193 4.360 20 5 FIBDHM Cc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2Sc2cccs2)on1 ZINC000153645157 1122298006 /nfs/dbraw/zinc/29/80/06/1122298006.db2.gz RCPQHOWQUICYMK-UHFFFAOYSA-N -1 3 361.404 4.356 20 5 FIBDHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc(F)cc([N+](=O)[O-])c3)s2)c1 ZINC000609648268 1123780988 /nfs/dbraw/zinc/78/09/88/1123780988.db2.gz UGFFBGJUIFCYHX-UHFFFAOYSA-N -1 3 372.381 4.122 20 5 FIBDHM O=c1ccnc(C=Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)[n-]1 ZINC000131725331 1124551389 /nfs/dbraw/zinc/55/13/89/1124551389.db2.gz UNFIYVBOGTZMQA-SOFGYWHQSA-N -1 3 369.764 4.294 20 5 FIBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000181912532 1125176884 /nfs/dbraw/zinc/17/68/84/1125176884.db2.gz AMDUHPAZOQNDPS-UHFFFAOYSA-N -1 3 350.371 4.192 20 5 FIBDHM CC(C)c1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c([O-])c1 ZINC000436601297 567982992 /nfs/dbraw/zinc/98/29/92/567982992.db2.gz JQIDTQCRVZQSSA-UHFFFAOYSA-N -1 3 354.406 4.229 20 5 FIBDHM O=C([O-])c1ccc(Cl)c(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000569123573 568281930 /nfs/dbraw/zinc/28/19/30/568281930.db2.gz XLOJOKQSTGKIPZ-OAHLLOKOSA-N -1 3 374.824 4.326 20 5 FIBDHM O=C([N-]c1cc(Cl)ccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])o1 ZINC000029903328 568309368 /nfs/dbraw/zinc/30/93/68/568309368.db2.gz IYRQXOYJWPKTEG-UHFFFAOYSA-N -1 3 364.663 4.035 20 5 FIBDHM CC(=O)c1ccc(Cl)c([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000150863219 568503360 /nfs/dbraw/zinc/50/33/60/568503360.db2.gz NAXMYSISJXLJDB-UHFFFAOYSA-N -1 3 353.161 4.357 20 5 FIBDHM CCc1ccc(-c2cc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3F)no2)cc1 ZINC001125338172 1080874150 /nfs/dbraw/zinc/87/41/50/1080874150.db2.gz QNHGUJITIVNUKL-UHFFFAOYSA-N -1 3 355.325 4.204 20 5 FIBDHM COc1ccc(-c2nc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cs2)cc1 ZINC000071804375 1084137904 /nfs/dbraw/zinc/13/79/04/1084137904.db2.gz JDVLEOUMLQHZFG-UHFFFAOYSA-N -1 3 373.365 4.118 20 5 FIBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000549089854 1088221447 /nfs/dbraw/zinc/22/14/47/1088221447.db2.gz IMCZMJCKLGDEPT-UHFFFAOYSA-N -1 3 358.394 4.249 20 5 FIBDHM CSc1ccc(Cl)cc1[N-]C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000142501211 1092930396 /nfs/dbraw/zinc/93/03/96/1092930396.db2.gz JTZHNKURQBXELQ-UHFFFAOYSA-N -1 3 362.798 4.099 20 5 FIBDHM Cc1c(Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)cccc1[N+](=O)[O-] ZINC000436943198 1099455399 /nfs/dbraw/zinc/45/53/99/1099455399.db2.gz JGHNPRXEJXBXLL-UHFFFAOYSA-N -1 3 353.378 4.373 20 5 FIBDHM CC[C@H](NCc1cccc([O-])c1Br)c1cccc([N+](=O)[O-])c1 ZINC000459414510 1100139136 /nfs/dbraw/zinc/13/91/36/1100139136.db2.gz AABKOYHTVRUPOJ-AWEZNQCLSA-N -1 3 365.227 4.304 20 5 FIBDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000476137287 1101963716 /nfs/dbraw/zinc/96/37/16/1101963716.db2.gz FQSBBKYAUXTLGD-UHFFFAOYSA-N -1 3 365.267 4.053 20 5 FIBDHM Cc1cccc(Oc2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)c1 ZINC001648982266 1102472324 /nfs/dbraw/zinc/47/23/24/1102472324.db2.gz SQMZCWRDURVADY-UHFFFAOYSA-N -1 3 365.345 4.048 20 5 FIBDHM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000451013564 1106893293 /nfs/dbraw/zinc/89/32/93/1106893293.db2.gz JHGKVMPGZZWVTP-UHFFFAOYSA-N -1 3 370.377 4.091 20 5 FIBDHM Cc1nocc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000603092156 1115742987 /nfs/dbraw/zinc/74/29/87/1115742987.db2.gz KFFKNVRMNKLYPG-UHFFFAOYSA-N -1 3 361.423 4.426 20 5 FIBDHM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000443461525 1118369135 /nfs/dbraw/zinc/36/91/35/1118369135.db2.gz PLNNOZMTFGYHSW-UHFFFAOYSA-N -1 3 361.206 4.011 20 5 FIBDHM CC[C@@H](C)Sc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000193498171 1120929894 /nfs/dbraw/zinc/92/98/94/1120929894.db2.gz MBZCYCJSLSOWIZ-LLVKDONJSA-N -1 3 361.423 4.147 20 5 FIBDHM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000918179607 1122583268 /nfs/dbraw/zinc/58/32/68/1122583268.db2.gz DLNNJXDMDCZALK-UHFFFAOYSA-N -1 3 366.811 4.081 20 5 FIBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1[O-] ZINC000064739287 568005471 /nfs/dbraw/zinc/00/54/71/568005471.db2.gz ALVZBJYLNGGQFN-QMMMGPOBSA-N -1 3 371.176 4.013 20 5 FIBDHM O=[N+]([O-])c1ccc(OCc2nc(-c3ccc([O-])c4ccccc34)no2)cc1 ZINC000436606086 568033847 /nfs/dbraw/zinc/03/38/47/568033847.db2.gz DGKJPPHRMGGAQV-UHFFFAOYSA-N -1 3 363.329 4.083 20 5 FIBDHM O=C([N-]c1nc(-c2ccccc2F)co1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000482117629 568280371 /nfs/dbraw/zinc/28/03/71/568280371.db2.gz AMHSQYIBDVMQSR-UHFFFAOYSA-N -1 3 367.292 4.387 20 5 FIBDHM O=C([N-]c1nc(-c2ccccc2F)cs1)c1c(F)cccc1[N+](=O)[O-] ZINC001125376074 1081131240 /nfs/dbraw/zinc/13/12/40/1081131240.db2.gz FMMCHDIVJRVULY-UHFFFAOYSA-N -1 3 361.329 4.249 20 5 FIBDHM CN(CC(=O)[O-])Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000414637808 1088914230 /nfs/dbraw/zinc/91/42/30/1088914230.db2.gz MWBSJONYCLBETE-UHFFFAOYSA-N -1 3 372.421 4.201 20 5 FIBDHM O=c1ccnc(C(=Cc2ccc([N+](=O)[O-])cc2Cl)Cc2ccccc2)[n-]1 ZINC000432695834 1092123427 /nfs/dbraw/zinc/12/34/27/1092123427.db2.gz RVOARVWFKCLCNU-PTNGSMBKSA-N -1 3 367.792 4.115 20 5 FIBDHM CC(C)Oc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)ccc1[N+](=O)[O-] ZINC000413714661 1095593191 /nfs/dbraw/zinc/59/31/91/1095593191.db2.gz PWEUVAMQLHNLQX-CYBMUJFWSA-N -1 3 370.405 4.242 20 5 FIBDHM O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000446236952 1109155786 /nfs/dbraw/zinc/15/57/86/1109155786.db2.gz XKJGOJPGQBPCEH-UHFFFAOYSA-N -1 3 353.382 4.099 20 5 FIBDHM O=C([N-]c1ccc(F)c(F)c1F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448099630 1109724357 /nfs/dbraw/zinc/72/43/57/1109724357.db2.gz UDTXBBPUXRZVOC-UHFFFAOYSA-N -1 3 364.201 4.283 20 5 FIBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(C3CCC3)c2)s1 ZINC000461864384 1111386207 /nfs/dbraw/zinc/38/62/07/1111386207.db2.gz JFHBHIHKFRRRHI-UHFFFAOYSA-N -1 3 352.437 4.071 20 5 FIBDHM COc1cc(CNc2ccnc(Oc3ccccc3)c2)c([N+](=O)[O-])cc1[O-] ZINC000589598012 1114815782 /nfs/dbraw/zinc/81/57/82/1114815782.db2.gz PLOCXFXVUWXSPK-UHFFFAOYSA-N -1 3 367.361 4.108 20 5 FIBDHM O=c1[n-]ccc(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000596186092 1115576755 /nfs/dbraw/zinc/57/67/55/1115576755.db2.gz TWWZRVOHXSHDBG-UHFFFAOYSA-N -1 3 367.327 4.098 20 5 FIBDHM O=c1[n-]ccc(N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000596177091 1115578804 /nfs/dbraw/zinc/57/88/04/1115578804.db2.gz CXFWEKWOJJDWAR-AAEUAGOBSA-N -1 3 367.327 4.462 20 5 FIBDHM O=c1[n-]ccc(N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000596217080 1115579025 /nfs/dbraw/zinc/57/90/25/1115579025.db2.gz YVKGCKRMNUIYMJ-UMSPYCQHSA-N -1 3 353.300 4.072 20 5 FIBDHM O=c1[n-]ccc(N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000596216673 1115579404 /nfs/dbraw/zinc/57/94/04/1115579404.db2.gz QKWUQEOCMPHWKT-UMSPYCQHSA-N -1 3 353.300 4.072 20 5 FIBDHM O=C([N-]c1csc(-c2ccccn2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000541270819 1118454179 /nfs/dbraw/zinc/45/41/79/1118454179.db2.gz SBOQVHIRCYCJKE-UHFFFAOYSA-N -1 3 366.358 4.112 20 5 FIBDHM CC(C)c1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c([O-])c1 ZINC000917068899 1122073901 /nfs/dbraw/zinc/07/39/01/1122073901.db2.gz BDTBYYLWXHDVHE-UHFFFAOYSA-N -1 3 362.813 4.349 20 5 FIBDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000617339731 1124513910 /nfs/dbraw/zinc/51/39/10/1124513910.db2.gz JVPOTBPPPMXIEO-GOSISDBHSA-N -1 3 372.421 4.032 20 5 FIBDHM O=C([N-]c1ncc(-c2ccccc2F)s1)c1c(F)cccc1[N+](=O)[O-] ZINC001128346101 1125438866 /nfs/dbraw/zinc/43/88/66/1125438866.db2.gz XQHXFLFVHXWECR-UHFFFAOYSA-N -1 3 361.329 4.249 20 5 FIBDHM CC(C)(C)c1coc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC000569984883 568446679 /nfs/dbraw/zinc/44/66/79/568446679.db2.gz FACQGGFIUPHUCI-UHFFFAOYSA-N -1 3 357.288 4.151 20 5 FIBDHM O=C([N-]c1cccc2oc(C(F)(F)F)nc21)c1c(F)cccc1[N+](=O)[O-] ZINC001266501420 1081028610 /nfs/dbraw/zinc/02/86/10/1081028610.db2.gz XCYQTAAXCILVQF-UHFFFAOYSA-N -1 3 369.230 4.146 20 5 FIBDHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000119182060 1082008991 /nfs/dbraw/zinc/00/89/91/1082008991.db2.gz FHFMVSNORBVMKW-UHFFFAOYSA-N -1 3 366.811 4.081 20 5 FIBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000500244327 1091146243 /nfs/dbraw/zinc/14/62/43/1091146243.db2.gz DUNBLQFNEOBZTP-UHFFFAOYSA-N -1 3 367.386 4.099 20 5 FIBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533159858 1098811451 /nfs/dbraw/zinc/81/14/51/1098811451.db2.gz BLYUXLGGIDKDDP-SECBINFHSA-N -1 3 352.799 4.073 20 5 FIBDHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000530876229 1107380321 /nfs/dbraw/zinc/38/03/21/1107380321.db2.gz IJIONZRSNBFEAX-UHFFFAOYSA-N -1 3 365.267 4.053 20 5 FIBDHM O=C([N-]c1nc(-c2ccsc2)ns1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000109110851 1109779983 /nfs/dbraw/zinc/77/99/83/1109779983.db2.gz IGXHLFSSRKHFRP-UHFFFAOYSA-N -1 3 366.811 4.081 20 5 FIBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000615165499 1113236654 /nfs/dbraw/zinc/23/66/54/1113236654.db2.gz BKSHGMAKRXJMMG-AWEZNQCLSA-N -1 3 354.406 4.234 20 5 FIBDHM CC(C)(C)c1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1 ZINC000055975527 1114573055 /nfs/dbraw/zinc/57/30/55/1114573055.db2.gz MATYEHFEUIEVOM-UHFFFAOYSA-N -1 3 362.436 4.211 20 5 FIBDHM C[C@@]1(CCc2ccccc2)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593740571 1115813806 /nfs/dbraw/zinc/81/38/06/1115813806.db2.gz GDCIYECUHDNDOH-OAQYLSRUSA-N -1 3 368.433 4.138 20 5 FIBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000152578048 1119451008 /nfs/dbraw/zinc/45/10/08/1119451008.db2.gz GMPRQQYSWYCZDT-UHFFFAOYSA-N -1 3 365.342 4.006 20 5 FIBDHM COc1cccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1[N+](=O)[O-] ZINC000436619319 568061363 /nfs/dbraw/zinc/06/13/63/568061363.db2.gz RBUSWEONNCPYIZ-UHFFFAOYSA-N -1 3 363.329 4.179 20 5 FIBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc([O-])c(COC(C)C)c1 ZINC000569770262 568422920 /nfs/dbraw/zinc/42/29/20/568422920.db2.gz QPECIQZIQMCQAU-UHFFFAOYSA-N -1 3 359.382 4.178 20 5 FIBDHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000131001513 1125750427 /nfs/dbraw/zinc/75/04/27/1125750427.db2.gz PBXPYEJLULAXPE-UHFFFAOYSA-N -1 3 357.753 4.464 20 5 FIBDHM CCC(CC)c1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000003558551 1084688306 /nfs/dbraw/zinc/68/83/06/1084688306.db2.gz GEFMDRIRPGTVAW-UHFFFAOYSA-N -1 3 354.819 4.256 20 5 FIBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(C(F)(F)F)ccc1F ZINC000176848619 1088090476 /nfs/dbraw/zinc/09/04/76/1088090476.db2.gz GBIYZEVTPRDYOD-UHFFFAOYSA-N -1 3 364.201 4.283 20 5 FIBDHM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000162638610 1091179009 /nfs/dbraw/zinc/17/90/09/1091179009.db2.gz MJQPQPSYNDNGLT-UHFFFAOYSA-N -1 3 363.439 4.454 20 5 FIBDHM Cc1cccc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)c1[N+](=O)[O-] ZINC000110380438 1091256398 /nfs/dbraw/zinc/25/63/98/1091256398.db2.gz KJRLJQZZNDDCKA-UHFFFAOYSA-N -1 3 374.809 4.327 20 5 FIBDHM O=C([N-]c1ccc(F)c(F)c1F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000439282172 1093245497 /nfs/dbraw/zinc/24/54/97/1093245497.db2.gz GYLPGUUWJQSCHG-UHFFFAOYSA-N -1 3 373.290 4.326 20 5 FIBDHM O=C([N-]c1csc(-c2ccncc2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185441507 1093844547 /nfs/dbraw/zinc/84/45/47/1093844547.db2.gz YAOBVCIFKWUEKI-UHFFFAOYSA-N -1 3 360.782 4.019 20 5 FIBDHM O=C([O-])c1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000617338539 1095444215 /nfs/dbraw/zinc/44/42/15/1095444215.db2.gz XIKSXYHRDFQWIA-UHFFFAOYSA-N -1 3 368.414 4.311 20 5 FIBDHM Cc1ccc(-c2csc([N-]c3ncnc4ccncc43)n2)cc1[N+](=O)[O-] ZINC000502699532 1095723071 /nfs/dbraw/zinc/72/30/71/1095723071.db2.gz KUXITAAQGWUJDO-UHFFFAOYSA-N -1 3 364.390 4.109 20 5 FIBDHM CCC(CC)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000515722633 1098875832 /nfs/dbraw/zinc/87/58/32/1098875832.db2.gz DLXPEKFSYCMUKJ-INIZCTEOSA-N -1 3 368.480 4.112 20 5 FIBDHM CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc(C)c1CC ZINC000255948622 1099580649 /nfs/dbraw/zinc/58/06/49/1099580649.db2.gz RJUVZPWJZQGNAB-UHFFFAOYSA-N -1 3 368.436 4.018 20 5 FIBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000427399571 1103495591 /nfs/dbraw/zinc/49/55/91/1103495591.db2.gz NMJFUAJXSABTIE-UHFFFAOYSA-N -1 3 356.712 4.096 20 5 FIBDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000121734173 1109553619 /nfs/dbraw/zinc/55/36/19/1109553619.db2.gz PJBUKOUMFFERFZ-MRVPVSSYSA-N -1 3 370.228 4.015 20 5 FIBDHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000121734333 1109567147 /nfs/dbraw/zinc/56/71/47/1109567147.db2.gz PJBUKOUMFFERFZ-QMMMGPOBSA-N -1 3 370.228 4.015 20 5 FIBDHM O=C(Nc1ccc(Cl)cc1[O-])c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000490654123 1114312423 /nfs/dbraw/zinc/31/24/23/1114312423.db2.gz WNWLSHLSRYZTAE-UHFFFAOYSA-N -1 3 360.675 4.225 20 5 FIBDHM C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738872 1115811288 /nfs/dbraw/zinc/81/12/88/1115811288.db2.gz MNXGRLOVKXJQEY-GFCCVEGCSA-N -1 3 362.813 4.009 20 5 FIBDHM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1[O-] ZINC000535419705 1116304202 /nfs/dbraw/zinc/30/42/02/1116304202.db2.gz IWWGAADNELUPGA-UHFFFAOYSA-N -1 3 371.176 4.015 20 5 FIBDHM COc1ccc([N-]C(=O)c2coc(-c3ccccc3Cl)n2)c([N+](=O)[O-])c1 ZINC000540646668 1118172394 /nfs/dbraw/zinc/17/23/94/1118172394.db2.gz UBECQPHRNPOEKR-UHFFFAOYSA-N -1 3 373.752 4.164 20 5 FIBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000596231269 1118965570 /nfs/dbraw/zinc/96/55/70/1118965570.db2.gz PBRJWHMNUKZSQO-CHWSQXEVSA-N -1 3 367.327 4.462 20 5 FIBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152888794 1119531101 /nfs/dbraw/zinc/53/11/01/1119531101.db2.gz IOOBWNCQBZHCRL-UHFFFAOYSA-N -1 3 370.390 4.144 20 5 FIBDHM CC(C)(C)c1ccc([N-]C(=O)c2cc(-c3ccccn3)no2)cc1[N+](=O)[O-] ZINC000556490133 1122919455 /nfs/dbraw/zinc/91/94/55/1122919455.db2.gz QGVCCJSGPGIRAH-UHFFFAOYSA-N -1 3 366.377 4.195 20 5 FIBDHM O=c1[n-]c(CSc2ccc([N+](=O)[O-])cc2F)nc2c3ccccc3oc21 ZINC000618964223 1125391630 /nfs/dbraw/zinc/39/16/30/1125391630.db2.gz JSDMXLCTJPJIEZ-UHFFFAOYSA-N -1 3 371.349 4.421 20 5 FIBDHM COc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436614516 568059713 /nfs/dbraw/zinc/05/97/13/568059713.db2.gz YMOSQYSONSPYHT-UHFFFAOYSA-N -1 3 363.329 4.179 20 5 FIBDHM Cc1ccc(-c2nsc([N-]C(=O)c3cccc(C)c3[N+](=O)[O-])n2)s1 ZINC000066413422 1125566982 /nfs/dbraw/zinc/56/69/82/1125566982.db2.gz JRWUSOIOTFWRMI-UHFFFAOYSA-N -1 3 360.420 4.044 20 5 FIBDHM Cc1c([N-]C(=O)c2cc(C(C)C)no2)cc(Br)cc1[N+](=O)[O-] ZINC000431235961 1083547732 /nfs/dbraw/zinc/54/77/32/1083547732.db2.gz YLSPOZLISKUNQC-UHFFFAOYSA-N -1 3 368.187 4.029 20 5 FIBDHM Cc1cccc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c1[N+](=O)[O-] ZINC000179809445 1083638917 /nfs/dbraw/zinc/63/89/17/1083638917.db2.gz CYJUGXPTMPDEIK-UHFFFAOYSA-N -1 3 362.385 4.452 20 5 FIBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000433121362 1093271113 /nfs/dbraw/zinc/27/11/13/1093271113.db2.gz NLILBBOMKYXNHZ-UHFFFAOYSA-N -1 3 372.805 4.059 20 5 FIBDHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444260236 1095913960 /nfs/dbraw/zinc/91/39/60/1095913960.db2.gz NOQYQTGMRKRXMT-UHFFFAOYSA-N -1 3 364.788 4.293 20 5 FIBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc2ccc(F)cc2s1 ZINC000897537815 1099609779 /nfs/dbraw/zinc/60/97/79/1099609779.db2.gz MHHGIXGYSDTJDF-UHFFFAOYSA-N -1 3 352.293 4.479 20 5 FIBDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000476168680 1102010836 /nfs/dbraw/zinc/01/08/36/1102010836.db2.gz QFGICBPFCVAXHG-UHFFFAOYSA-N -1 3 365.267 4.053 20 5 FIBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000441571963 1104993981 /nfs/dbraw/zinc/99/39/81/1104993981.db2.gz MZPSEGYTHWPGDD-UHFFFAOYSA-N -1 3 356.712 4.177 20 5 FIBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc([O-])c2ccccc2c1 ZINC000527170250 1109709081 /nfs/dbraw/zinc/70/90/81/1109709081.db2.gz MYUDFVSIXXDYIO-UHFFFAOYSA-N -1 3 370.792 4.080 20 5 FIBDHM CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1[O-] ZINC000552287149 1111650190 /nfs/dbraw/zinc/65/01/90/1111650190.db2.gz JWIQKGCOOYOWMH-UHFFFAOYSA-N -1 3 374.418 4.256 20 5 FIBDHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000482878316 1113387610 /nfs/dbraw/zinc/38/76/10/1113387610.db2.gz IELGOLZAYYBOGZ-UHFFFAOYSA-N -1 3 368.436 4.270 20 5 FIBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1Cc1cccc(C)c1 ZINC000055580532 1114496455 /nfs/dbraw/zinc/49/64/55/1114496455.db2.gz KAJOQFYEGZCIEM-UHFFFAOYSA-N -1 3 357.391 4.104 20 5 FIBDHM CC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1[O-] ZINC000575156105 1115549598 /nfs/dbraw/zinc/54/95/98/1115549598.db2.gz FEODQYFKDPUVAX-UHFFFAOYSA-N -1 3 356.378 4.053 20 5 FIBDHM CC(C)Oc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000596105560 1115572591 /nfs/dbraw/zinc/57/25/91/1115572591.db2.gz VLIGRPPLOVGHGL-UHFFFAOYSA-N -1 3 371.315 4.114 20 5 FIBDHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000194239871 1121240266 /nfs/dbraw/zinc/24/02/66/1121240266.db2.gz WRGABFVQNJBVAV-UHFFFAOYSA-N -1 3 374.809 4.327 20 5 FIBDHM O=[N+]([O-])c1ccccc1Cc1noc(-c2cc3cc(Cl)sc3[n-]2)n1 ZINC000569159112 568300350 /nfs/dbraw/zinc/30/03/50/568300350.db2.gz KVVWAUQFEUISAY-UHFFFAOYSA-N -1 3 360.782 4.432 20 5 FIBDHM CSc1ccccc1[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175504031 1080707675 /nfs/dbraw/zinc/70/76/75/1080707675.db2.gz LMJNRNQMALOHRZ-UHFFFAOYSA-N -1 3 367.224 4.332 20 5 FIBDHM CC(C)Oc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)ccc1[N+](=O)[O-] ZINC000413714662 1083769464 /nfs/dbraw/zinc/76/94/64/1083769464.db2.gz PWEUVAMQLHNLQX-ZDUSSCGKSA-N -1 3 370.405 4.242 20 5 FIBDHM Cc1nn(C)c(C(=O)[N-]c2cccc(Cl)c2SC(C)C)c1[N+](=O)[O-] ZINC000157503017 1084394546 /nfs/dbraw/zinc/39/45/46/1084394546.db2.gz KMAMLZYBAYPVBY-UHFFFAOYSA-N -1 3 368.846 4.043 20 5 FIBDHM O=C([N-]c1c(F)cccc1F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050256863 1085122284 /nfs/dbraw/zinc/12/22/84/1085122284.db2.gz IWKZXZMVFCPORE-UHFFFAOYSA-N -1 3 361.329 4.249 20 5 FIBDHM O=C(c1cc([O-])c2ccccc2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000472351737 1087684679 /nfs/dbraw/zinc/68/46/79/1087684679.db2.gz UCFHIBBXVQKWCH-UHFFFAOYSA-N -1 3 362.385 4.258 20 5 FIBDHM Cc1ccc(-c2nnc([N-]C(=O)c3cc(F)cc([N+](=O)[O-])c3)s2)c(C)c1 ZINC000518796522 1101590640 /nfs/dbraw/zinc/59/06/40/1101590640.db2.gz LBLYZKOOSPQCKT-UHFFFAOYSA-N -1 3 372.381 4.122 20 5 FIBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000506662547 1101712621 /nfs/dbraw/zinc/71/26/21/1101712621.db2.gz NOZLJMJOWTYQHB-UHFFFAOYSA-N -1 3 351.406 4.161 20 5 FIBDHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000426799264 1102997118 /nfs/dbraw/zinc/99/71/18/1102997118.db2.gz KPYJSGHPOHSUHG-SFHVURJKSA-N -1 3 372.421 4.032 20 5 FIBDHM CCOc1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1F ZINC000536279402 1104482819 /nfs/dbraw/zinc/48/28/19/1104482819.db2.gz DINZQEDWYNAHKS-UHFFFAOYSA-N -1 3 356.712 4.177 20 5 FIBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000615165505 1113236818 /nfs/dbraw/zinc/23/68/18/1113236818.db2.gz BKSHGMAKRXJMMG-CQSZACIVSA-N -1 3 354.406 4.234 20 5 FIBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(Br)cc2F)c1 ZINC000387992524 1124402372 /nfs/dbraw/zinc/40/23/72/1124402372.db2.gz WBEISYWAGKJJIG-UHFFFAOYSA-N -1 3 371.137 4.196 20 5 FIBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SC)cc1SC ZINC000482223240 568354514 /nfs/dbraw/zinc/35/45/14/568354514.db2.gz RYXMWDGKBQCMFK-UHFFFAOYSA-N -1 3 364.448 4.300 20 5 FIBDHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] ZINC000609657958 1080403053 /nfs/dbraw/zinc/40/30/53/1080403053.db2.gz XYPNGXKKHCRVAG-UHFFFAOYSA-N -1 3 361.206 4.011 20 5 FIBDHM CSc1ccncc1[N-]C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000610545527 1082943533 /nfs/dbraw/zinc/94/35/33/1082943533.db2.gz NQAFWJVYVBFJLF-UHFFFAOYSA-N -1 3 372.431 4.088 20 5 FIBDHM Cc1csc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1Cl ZINC000276703455 1083032549 /nfs/dbraw/zinc/03/25/49/1083032549.db2.gz CAVVPMBCZINREZ-UHFFFAOYSA-N -1 3 368.798 4.032 20 5 FIBDHM CC(C)c1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000417602287 1090936547 /nfs/dbraw/zinc/93/65/47/1090936547.db2.gz NULXKHHOMHPWCB-SFHVURJKSA-N -1 3 356.422 4.414 20 5 FIBDHM CCc1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1-c1ccc(OC)cc1 ZINC000521496692 1092723360 /nfs/dbraw/zinc/72/33/60/1092723360.db2.gz UKQINOOFAPZPGS-UHFFFAOYSA-N -1 3 373.390 4.135 20 5 FIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000047521591 1093954613 /nfs/dbraw/zinc/95/46/13/1093954613.db2.gz WQOAWEGNBKGZIE-UHFFFAOYSA-N -1 3 361.206 4.011 20 5 FIBDHM O=C(Nc1cc(Cl)ccc1[O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000533011001 1098686283 /nfs/dbraw/zinc/68/62/83/1098686283.db2.gz QSFYIDUGFNFJTM-UHFFFAOYSA-N -1 3 360.675 4.225 20 5 FIBDHM CCc1ccc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)cc1[N+](=O)[O-] ZINC000461082447 1104080518 /nfs/dbraw/zinc/08/05/18/1104080518.db2.gz BGIBOPMBQDUMKJ-UHFFFAOYSA-N -1 3 366.295 4.029 20 5 FIBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1cc(Cl)ccc1SC ZINC000427597678 1104999769 /nfs/dbraw/zinc/99/97/69/1104999769.db2.gz XEPIBGQXPRJDEE-UHFFFAOYSA-N -1 3 352.799 4.231 20 5 FIBDHM Cc1ccc(-c2nnc([N-]C(=O)c3cc(C)ccc3[N+](=O)[O-])s2)c(C)c1 ZINC000524662737 1109110879 /nfs/dbraw/zinc/11/08/79/1109110879.db2.gz CTYBOGMNKHPAND-UHFFFAOYSA-N -1 3 368.418 4.291 20 5 FIBDHM O=C([N-]c1cc(F)cc(F)c1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000554362476 1112318071 /nfs/dbraw/zinc/31/80/71/1112318071.db2.gz PDIWGVUUVNYZCA-UHFFFAOYSA-N -1 3 364.201 4.283 20 5 FIBDHM Cc1ccc(C[C@H]2CCCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000593734011 1115809238 /nfs/dbraw/zinc/80/92/38/1115809238.db2.gz JLDBDQQUCSCSTC-QGZVFWFLSA-N -1 3 368.433 4.056 20 5 FIBDHM Cc1cccc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)c1[N+](=O)[O-] ZINC000109725822 1080541114 /nfs/dbraw/zinc/54/11/14/1080541114.db2.gz XKQDRJJIXZDEQS-UHFFFAOYSA-N -1 3 372.431 4.158 20 5 FIBDHM Cc1ccc(-c2nnc([N-]C(=O)c3cccc(C)c3[N+](=O)[O-])s2)c(C)c1 ZINC000065083410 1083314642 /nfs/dbraw/zinc/31/46/42/1083314642.db2.gz MIYMYITXQKIZAR-UHFFFAOYSA-N -1 3 368.418 4.291 20 5 FIBDHM CC(C)(c1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000106685863 1085205582 /nfs/dbraw/zinc/20/55/82/1085205582.db2.gz ISSSUKHDZBZDSQ-UHFFFAOYSA-N -1 3 368.418 4.025 20 5 FIBDHM CC(C)c1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000417602286 1090936354 /nfs/dbraw/zinc/93/63/54/1090936354.db2.gz NULXKHHOMHPWCB-GOSISDBHSA-N -1 3 356.422 4.414 20 5 FIBDHM O=C([N-]c1cc(F)ccc1F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000439285169 1093267831 /nfs/dbraw/zinc/26/78/31/1093267831.db2.gz NPHFKEZHLGGKCT-UHFFFAOYSA-N -1 3 355.300 4.187 20 5 FIBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000121833777 1102061490 /nfs/dbraw/zinc/06/14/90/1102061490.db2.gz USLBLNYEPXSHJC-UHFFFAOYSA-N -1 3 373.752 4.164 20 5 FIBDHM CC(C)c1ccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426717789 1102938706 /nfs/dbraw/zinc/93/87/06/1102938706.db2.gz RXCPEBTXOXXJFH-KUHUBIRLSA-N -1 3 356.422 4.270 20 5 FIBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000426825163 1103022551 /nfs/dbraw/zinc/02/25/51/1103022551.db2.gz PSAYDNZATJBFER-LJQANCHMSA-N -1 3 356.422 4.332 20 5 FIBDHM Cc1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c(F)c1 ZINC000445248352 1108580426 /nfs/dbraw/zinc/58/04/26/1108580426.db2.gz KAHPCCLKPCPDKA-UHFFFAOYSA-N -1 3 359.176 4.119 20 5 FIBDHM Cc1ccc([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cc1[N+](=O)[O-] ZINC000525924862 1109554871 /nfs/dbraw/zinc/55/48/71/1109554871.db2.gz JXMDFXVVXJRTMV-CYBMUJFWSA-N -1 3 350.374 4.253 20 5 FIBDHM CC(C)c1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000486100673 1113502235 /nfs/dbraw/zinc/50/22/35/1113502235.db2.gz BKVGZRABKFWYMG-HYXAFXHYSA-N -1 3 362.389 4.034 20 5 FIBDHM O=c1[n-]ccc(N2CCC(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000596161094 1115577832 /nfs/dbraw/zinc/57/78/32/1115577832.db2.gz RVGMABSWPNPKRJ-UHFFFAOYSA-N -1 3 367.327 4.098 20 5 FIBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000596177092 1115578907 /nfs/dbraw/zinc/57/89/07/1115578907.db2.gz CXFWEKWOJJDWAR-DGCLKSJQSA-N -1 3 367.327 4.462 20 5 FIBDHM CC(C)(C)c1ccc([N-]C(=O)c2ncoc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000597630689 1115678067 /nfs/dbraw/zinc/67/80/67/1115678067.db2.gz GWUDENABQPZDEE-UHFFFAOYSA-N -1 3 357.288 4.151 20 5 FIBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1[O-] ZINC000542394950 1118922746 /nfs/dbraw/zinc/92/27/46/1118922746.db2.gz LWZUXCFMBYSMET-UHFFFAOYSA-N -1 3 373.217 4.338 20 5 FIBDHM CC(C)(C)c1nsc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000068073755 1124028677 /nfs/dbraw/zinc/02/86/77/1124028677.db2.gz UHWKDFATDHOGOU-UHFFFAOYSA-N -1 3 362.436 4.211 20 5 FIBDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cc(F)ccc1[N+](=O)[O-] ZINC000179808871 1124108910 /nfs/dbraw/zinc/10/89/10/1124108910.db2.gz KIXRFHMZJXRKQT-UHFFFAOYSA-N -1 3 366.348 4.283 20 5 FIBDHM O=[N+]([O-])c1ccc(NCc2ccc([O-])c(Br)c2)c2ncccc12 ZINC000301677511 1124956791 /nfs/dbraw/zinc/95/67/91/1124956791.db2.gz CZWKWROAKWYTMG-UHFFFAOYSA-N -1 3 374.194 4.223 20 5 FIBDHM COc1cc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)cc(OC)c1[O-] ZINC000008321799 207228231 /nfs/dbraw/zinc/22/82/31/207228231.db2.gz PFHSEWQIHJXSNN-VOTSOKGWSA-N -1 3 352.346 4.036 20 5 FIBDHM COc1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)ccc1[N+](=O)[O-] ZINC000436610774 568033917 /nfs/dbraw/zinc/03/39/17/568033917.db2.gz KADHAYFJYWTXNW-UHFFFAOYSA-N -1 3 363.329 4.179 20 5 FIBDHM COc1c(-c2nc(-c3ccc([O-])c4ccccc34)no2)cccc1[N+](=O)[O-] ZINC000436618750 568059652 /nfs/dbraw/zinc/05/96/52/568059652.db2.gz PAMQZNPFPLJZMJ-UHFFFAOYSA-N -1 3 363.329 4.179 20 5 FIBDHM C[C@H]1CCN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc2S1 ZINC000481582516 568060400 /nfs/dbraw/zinc/06/04/00/568060400.db2.gz CVLWKASMEGGAJE-NSHDSACASA-N -1 3 368.418 4.002 20 5 FIBDHM Cc1cccc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c1[N+](=O)[O-] ZINC000103421184 1090092685 /nfs/dbraw/zinc/09/26/85/1090092685.db2.gz SWMGEQIICMSVPN-UHFFFAOYSA-N -1 3 360.439 4.130 20 5 FIBDHM CC(C)c1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000417611051 1090938914 /nfs/dbraw/zinc/93/89/14/1090938914.db2.gz AGORIFHAFHYFPR-QZTJIDSGSA-N -1 3 354.406 4.121 20 5 FIBDHM CCc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000162515709 1090988419 /nfs/dbraw/zinc/98/84/19/1090988419.db2.gz QYHQYNPHCXKQPR-UHFFFAOYSA-N -1 3 363.439 4.454 20 5 FIBDHM O=C([N-]c1cc(F)c(F)cc1F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001125951958 1091610225 /nfs/dbraw/zinc/61/02/25/1091610225.db2.gz HCPTWYSYMCCGJF-UHFFFAOYSA-N -1 3 373.290 4.326 20 5 FIBDHM CCCCCc1nnc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000522889897 1095848564 /nfs/dbraw/zinc/84/85/64/1095848564.db2.gz UERDDZBOQUISHQ-UHFFFAOYSA-N -1 3 354.819 4.085 20 5 FIBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000596103534 1115572454 /nfs/dbraw/zinc/57/24/54/1115572454.db2.gz VOQQCPLZTXNQTJ-UHFFFAOYSA-N -1 3 356.209 4.392 20 5 FIBDHM CCCCc1ccc2nc([N-]C(=O)c3nn(CC)cc3[N+](=O)[O-])sc2c1 ZINC000617362679 1124522345 /nfs/dbraw/zinc/52/23/45/1124522345.db2.gz JUZLCONBXFHNTD-UHFFFAOYSA-N -1 3 373.438 4.016 20 5 FIBDHM C[C@@H]1CCN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc2S1 ZINC000481582512 568058567 /nfs/dbraw/zinc/05/85/67/568058567.db2.gz CVLWKASMEGGAJE-LLVKDONJSA-N -1 3 368.418 4.002 20 5 FIBDHM CC(C)c1[nH]nc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1[N+](=O)[O-] ZINC000436614501 568059174 /nfs/dbraw/zinc/05/91/74/568059174.db2.gz YIHVPUBRCVCEQW-UHFFFAOYSA-N -1 3 365.349 4.017 20 5 FIBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2ccccc2F)on1 ZINC000619607520 1125632530 /nfs/dbraw/zinc/63/25/30/1125632530.db2.gz JSYAURVGAAACSA-UHFFFAOYSA-N -1 3 371.324 4.040 20 5 FIBDHM C[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000579910495 1084295879 /nfs/dbraw/zinc/29/58/79/1084295879.db2.gz ZVXNHVPYCFTSMW-SECBINFHSA-N -1 3 354.284 4.061 20 5 FIBDHM COc1cc(CNCc2ccc(C)cc2OC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000084958720 1084657685 /nfs/dbraw/zinc/65/76/85/1084657685.db2.gz BEYUPZOOLQLVMW-UHFFFAOYSA-N -1 3 374.437 4.085 20 5 FIBDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000512086544 1086752117 /nfs/dbraw/zinc/75/21/17/1086752117.db2.gz AIAOITAIWPMXIZ-UHFFFAOYSA-N -1 3 353.378 4.332 20 5 FIBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000473336809 1092744365 /nfs/dbraw/zinc/74/43/65/1092744365.db2.gz ADRACWCZXFFTAY-UHFFFAOYSA-N -1 3 361.716 4.295 20 5 FIBDHM CCC(CC)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)on1 ZINC000151050854 1093885159 /nfs/dbraw/zinc/88/51/59/1093885159.db2.gz HCHHECBAAGSTJM-UHFFFAOYSA-N -1 3 369.324 4.340 20 5 FIBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533159859 1098810785 /nfs/dbraw/zinc/81/07/85/1098810785.db2.gz BLYUXLGGIDKDDP-VIFPVBQESA-N -1 3 352.799 4.073 20 5 FIBDHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCc2c1cccc2[N+](=O)[O-] ZINC000436538911 1099102932 /nfs/dbraw/zinc/10/29/32/1099102932.db2.gz RTFOZTWNMGWGBI-UHFFFAOYSA-N -1 3 374.396 4.094 20 5 FIBDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000476176253 1102015353 /nfs/dbraw/zinc/01/53/53/1102015353.db2.gz UBPFXALWCZFYEV-UHFFFAOYSA-N -1 3 366.251 4.318 20 5 FIBDHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000490890342 1114347729 /nfs/dbraw/zinc/34/77/29/1114347729.db2.gz UKSHQTYRVYUGNQ-UHFFFAOYSA-N -1 3 364.398 4.440 20 5 FIBDHM COc1cc(CNc2ccc(Oc3cccnc3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000588934502 1114676720 /nfs/dbraw/zinc/67/67/20/1114676720.db2.gz VWELBNIIRRTCNL-UHFFFAOYSA-N -1 3 367.361 4.108 20 5 FIBDHM O=c1[n-]ccc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596074473 1115573496 /nfs/dbraw/zinc/57/34/96/1115573496.db2.gz UZEIMFDTQGWKKT-RNFRBKRXSA-N -1 3 373.253 4.017 20 5 FIBDHM O=c1[n-]ccc(N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000596230463 1115579550 /nfs/dbraw/zinc/57/95/50/1115579550.db2.gz LFEYEQBSURJEGX-LBPRGKRZSA-N -1 3 367.327 4.098 20 5 FIBDHM O=c1[n-]ccc(N2CCC(c3c(Cl)cccc3Cl)CC2)c1[N+](=O)[O-] ZINC000596234952 1115579713 /nfs/dbraw/zinc/57/97/13/1115579713.db2.gz ORJSIZYHPXKWPK-UHFFFAOYSA-N -1 3 368.220 4.386 20 5 FIBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000122170015 1116317111 /nfs/dbraw/zinc/31/71/11/1116317111.db2.gz LMGYJKUZMNKJLN-UHFFFAOYSA-N -1 3 352.799 4.318 20 5 FIBDHM O=C([N-]c1c2nsnc2ccc1Cl)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152750328 1119497782 /nfs/dbraw/zinc/49/77/82/1119497782.db2.gz MENRGHRRYMLHJK-UHFFFAOYSA-N -1 3 369.189 4.159 20 5 FIBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000032585571 1121053806 /nfs/dbraw/zinc/05/38/06/1121053806.db2.gz ZNUVKDOZPLTXEP-UHFFFAOYSA-N -1 3 361.206 4.011 20 5 FIBDHM O=[N+]([O-])c1cccc(OCc2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436613326 568033629 /nfs/dbraw/zinc/03/36/29/568033629.db2.gz PSGWXAOCYLLQAR-UHFFFAOYSA-N -1 3 363.329 4.083 20 5 FIBDHM CCSc1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1 ZINC000007397732 568231425 /nfs/dbraw/zinc/23/14/25/568231425.db2.gz XVQWNRHDUHQABP-UHFFFAOYSA-N -1 3 366.449 4.025 20 5 FIBDHM Cc1ccc(Sc2ccc(C(=O)[N-]c3cnoc3)cc2[N+](=O)[O-])cc1 ZINC000604542243 568309814 /nfs/dbraw/zinc/30/98/14/568309814.db2.gz IKEHUODGTLCNFP-UHFFFAOYSA-N -1 3 355.375 4.295 20 5 FIBDHM O=C([N-]c1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000098106226 1083323077 /nfs/dbraw/zinc/32/30/77/1083323077.db2.gz ZKAQYPJNEWRTAN-UHFFFAOYSA-N -1 3 367.745 4.356 20 5 FIBDHM Cc1cccc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)c1[N+](=O)[O-] ZINC000065813312 1083538317 /nfs/dbraw/zinc/53/83/17/1083538317.db2.gz VBSIOHORHJOCMC-UHFFFAOYSA-N -1 3 374.809 4.327 20 5 FIBDHM O=c1ccnc(C(=Cc2ccc([N+](=O)[O-])cc2Cl)Cc2ccccc2)[n-]1 ZINC000432695835 1092122992 /nfs/dbraw/zinc/12/29/92/1092122992.db2.gz RVOARVWFKCLCNU-RVDMUPIBSA-N -1 3 367.792 4.115 20 5 FIBDHM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000426742433 1102959393 /nfs/dbraw/zinc/95/93/93/1102959393.db2.gz JTRJTYZRRUZAAL-QGZVFWFLSA-N -1 3 362.813 4.287 20 5 FIBDHM O=c1ccnc(C(=CC=Cc2ccccc2[N+](=O)[O-])Cc2ccccc2)[n-]1 ZINC000427289787 1103416270 /nfs/dbraw/zinc/41/62/70/1103416270.db2.gz WMWOFCQMDUJYPG-ZASSTFFZSA-N -1 3 359.385 4.430 20 5 FIBDHM CCc1cccc(Cc2cnc([N-]C(=O)c3ccc([N+](=O)[O-])o3)s2)c1 ZINC000044743830 1114450793 /nfs/dbraw/zinc/45/07/93/1114450793.db2.gz UWRFRBWSDPESGK-UHFFFAOYSA-N -1 3 357.391 4.050 20 5 FIBDHM O=[N+]([O-])c1cc(CNCc2cccc([O-])c2Cl)cc(C(F)(F)F)c1 ZINC000590188316 1114905415 /nfs/dbraw/zinc/90/54/15/1114905415.db2.gz RPGHIACXHWRENS-UHFFFAOYSA-N -1 3 360.719 4.262 20 5 FIBDHM O=C([O-])c1ccccc1C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000591270590 1115052430 /nfs/dbraw/zinc/05/24/30/1115052430.db2.gz ULQAXFQKDOEXTJ-FNORWQNLSA-N -1 3 366.417 4.186 20 5 FIBDHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)sc2nccc(C)c12 ZINC000914722120 1120497802 /nfs/dbraw/zinc/49/78/02/1120497802.db2.gz XGIYJVZEZUVVKE-UHFFFAOYSA-N -1 3 363.345 4.352 20 5 FIBDHM CC(C)c1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000436588589 567945829 /nfs/dbraw/zinc/94/58/29/567945829.db2.gz HZZHVXZAIAGJPO-LJQANCHMSA-N -1 3 372.446 4.312 20 5 FIBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N(c1ccc(F)cc1)C1CCCC1 ZINC000410565022 568272222 /nfs/dbraw/zinc/27/22/22/568272222.db2.gz SMQKMIPITSFARN-UHFFFAOYSA-N -1 3 368.368 4.200 20 5 FIBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000581440599 1082579588 /nfs/dbraw/zinc/57/95/88/1082579588.db2.gz MJFSVAUAOUSTEY-HNNXBMFYSA-N -1 3 368.433 4.309 20 5 FIBDHM Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)s1 ZINC000014714819 1085005197 /nfs/dbraw/zinc/00/51/97/1085005197.db2.gz CWZURCZCHKSOSA-UHFFFAOYSA-N -1 3 372.431 4.158 20 5 FIBDHM CSc1cccc(C(=O)[N-]c2cc(-c3ccccc3)on2)c1[N+](=O)[O-] ZINC000188174525 1087712853 /nfs/dbraw/zinc/71/28/53/1087712853.db2.gz NVPZCSLDHRUFPL-UHFFFAOYSA-N -1 3 355.375 4.224 20 5 FIBDHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000053208861 1090669150 /nfs/dbraw/zinc/66/91/50/1090669150.db2.gz FYBGNDJLRPIBCC-UHFFFAOYSA-N -1 3 372.387 4.173 20 5 FIBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c1C ZINC000433127925 1093312990 /nfs/dbraw/zinc/31/29/90/1093312990.db2.gz KAFLRLVBHHHWFR-UHFFFAOYSA-N -1 3 372.805 4.113 20 5 FIBDHM CC(C)c1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426717788 1102938908 /nfs/dbraw/zinc/93/89/08/1102938908.db2.gz RXCPEBTXOXXJFH-IFXJQAMLSA-N -1 3 356.422 4.270 20 5 FIBDHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000523144306 1107945581 /nfs/dbraw/zinc/94/55/81/1107945581.db2.gz JUCGVKSKGPFPTN-UHFFFAOYSA-N -1 3 374.315 4.483 20 5 FIBDHM Cc1ccc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cc1[N+](=O)[O-] ZINC000525924863 1109555110 /nfs/dbraw/zinc/55/51/10/1109555110.db2.gz JXMDFXVVXJRTMV-ZDUSSCGKSA-N -1 3 350.374 4.253 20 5 FIBDHM O=C(c1cc([O-])c2ccccc2c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000527167087 1109708563 /nfs/dbraw/zinc/70/85/63/1109708563.db2.gz CJDAFHZATLGCEH-UHFFFAOYSA-N -1 3 362.385 4.258 20 5 FIBDHM Cc1cc(NCc2ccc([O-])c(Br)c2)c(F)cc1[N+](=O)[O-] ZINC000461949970 1111436653 /nfs/dbraw/zinc/43/66/53/1111436653.db2.gz WTURVPSVZZRDCY-UHFFFAOYSA-N -1 3 355.163 4.123 20 5 FIBDHM CC(C)c1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000486100672 1113502028 /nfs/dbraw/zinc/50/20/28/1113502028.db2.gz BKVGZRABKFWYMG-HWKANZROSA-N -1 3 362.389 4.034 20 5 FIBDHM CCc1cccc2c(C3CCN(c4cc[n-]c(=O)c4[N+](=O)[O-])CC3)c[nH]c21 ZINC000596083065 1115573781 /nfs/dbraw/zinc/57/37/81/1115573781.db2.gz AYORUTJHQZUILH-UHFFFAOYSA-N -1 3 366.421 4.123 20 5 FIBDHM Cc1ccc(C(C)(C)CN(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000593736856 1115810772 /nfs/dbraw/zinc/81/07/72/1115810772.db2.gz BMOGFJUKMALOJJ-UHFFFAOYSA-N -1 3 356.422 4.011 20 5 FIBDHM C[C@]1(CCc2ccccc2)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593740567 1115813549 /nfs/dbraw/zinc/81/35/49/1115813549.db2.gz GDCIYECUHDNDOH-NRFANRHFSA-N -1 3 368.433 4.138 20 5 FIBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000534928667 1116253322 /nfs/dbraw/zinc/25/33/22/1116253322.db2.gz QPRJGIFIIKLGQX-UHFFFAOYSA-N -1 3 356.712 4.096 20 5 FIBDHM O=[N+]([O-])c1ccccc1OCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436612322 568033775 /nfs/dbraw/zinc/03/37/75/568033775.db2.gz MIFVXAJDHZATEK-UHFFFAOYSA-N -1 3 363.329 4.083 20 5 FIBDHM O=C(Nc1cccc(OC2CCCC2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000481793025 568123992 /nfs/dbraw/zinc/12/39/92/568123992.db2.gz JANRGLZUZJSHRE-UHFFFAOYSA-N -1 3 366.377 4.045 20 5 FIBDHM CCc1nc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)sc1C ZINC000569172644 568299479 /nfs/dbraw/zinc/29/94/79/568299479.db2.gz YXTBOWGJVYQWMQ-UHFFFAOYSA-N -1 3 359.329 4.193 20 5 FIBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000581440600 1082579418 /nfs/dbraw/zinc/57/94/18/1082579418.db2.gz MJFSVAUAOUSTEY-OAHLLOKOSA-N -1 3 368.433 4.309 20 5 FIBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(C(F)(F)F)cnc1Cl ZINC000785173635 1087153849 /nfs/dbraw/zinc/15/38/49/1087153849.db2.gz HIQSOJWZQXMMSS-UHFFFAOYSA-N -1 3 363.654 4.053 20 5 FIBDHM CC(C)(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c([O-])c1 ZINC000506229823 1100652090 /nfs/dbraw/zinc/65/20/90/1100652090.db2.gz HKLULUHZPWMCNA-UHFFFAOYSA-N -1 3 365.389 4.398 20 5 FIBDHM O=c1ccnc(C(=CC=Cc2ccccc2[N+](=O)[O-])Cc2ccccc2)[n-]1 ZINC000427289786 1103415840 /nfs/dbraw/zinc/41/58/40/1103415840.db2.gz WMWOFCQMDUJYPG-RAMZCSBVSA-N -1 3 359.385 4.430 20 5 FIBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(F)cc2-c2ccccc2)n1 ZINC000427594671 1104984393 /nfs/dbraw/zinc/98/43/93/1104984393.db2.gz ASYJJCOZYJXQOO-UHFFFAOYSA-N -1 3 372.331 4.009 20 5 FIBDHM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] ZINC000534206195 1116169347 /nfs/dbraw/zinc/16/93/47/1116169347.db2.gz IDDHSIBYBZLHNA-UHFFFAOYSA-N -1 3 361.206 4.011 20 5 FIBDHM C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000921005900 1123553230 /nfs/dbraw/zinc/55/32/30/1123553230.db2.gz LRGHZCAFJZFZAW-JTQLQIEISA-N -1 3 354.740 4.217 20 5 FIBDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC000179811211 1083638114 /nfs/dbraw/zinc/63/81/14/1083638114.db2.gz ZEGNBJHYQPUDAD-UHFFFAOYSA-N -1 3 366.348 4.283 20 5 FIBDHM CCCCc1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1 ZINC000023362835 1084913501 /nfs/dbraw/zinc/91/35/01/1084913501.db2.gz ONEYGXXUFLFLPV-UHFFFAOYSA-N -1 3 362.436 4.256 20 5 FIBDHM CC(C)Cc1coc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC000894438433 1102345922 /nfs/dbraw/zinc/34/59/22/1102345922.db2.gz FFYPBEJEVJNRLZ-UHFFFAOYSA-N -1 3 357.288 4.052 20 5 FIBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1coc(-c2ccccc2Cl)n1 ZINC000538442401 1111140599 /nfs/dbraw/zinc/14/05/99/1111140599.db2.gz QJQAOUDCUYMPRI-UHFFFAOYSA-N -1 3 361.716 4.295 20 5 FIBDHM Cc1ccc(-c2nnc([N-]C(=O)c3c(C)cccc3[N+](=O)[O-])s2)c(C)c1 ZINC000553054658 1111895144 /nfs/dbraw/zinc/89/51/44/1111895144.db2.gz FSRCLWMWFDERME-UHFFFAOYSA-N -1 3 368.418 4.291 20 5 FIBDHM O=C([O-])c1ccccc1C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000591270589 1115052481 /nfs/dbraw/zinc/05/24/81/1115052481.db2.gz ULQAXFQKDOEXTJ-ALCCZGGFSA-N -1 3 366.417 4.186 20 5 FIBDHM CCCCOc1ccc([C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC000596080766 1115574018 /nfs/dbraw/zinc/57/40/18/1115574018.db2.gz MMUKUVXAJQDRKN-LBPRGKRZSA-N -1 3 361.398 4.056 20 5 FIBDHM O=c1[n-]ccc(N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000596177094 1115578641 /nfs/dbraw/zinc/57/86/41/1115578641.db2.gz CXFWEKWOJJDWAR-YPMHNXCESA-N -1 3 367.327 4.462 20 5 FIBDHM O=c1[n-]ccc(N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000596231272 1115579670 /nfs/dbraw/zinc/57/96/70/1115579670.db2.gz PBRJWHMNUKZSQO-STQMWFEESA-N -1 3 367.327 4.462 20 5 FIBDHM C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738873 1115811104 /nfs/dbraw/zinc/81/11/04/1115811104.db2.gz MNXGRLOVKXJQEY-LBPRGKRZSA-N -1 3 362.813 4.009 20 5 FIBDHM O=C([N-]c1ccc(-c2nc3ccccc3s2)cn1)c1ccc([N+](=O)[O-])o1 ZINC000194374392 1121272711 /nfs/dbraw/zinc/27/27/11/1121272711.db2.gz ZNVWIGCTAZVQJQ-UHFFFAOYSA-N -1 3 366.358 4.112 20 5 FIBDHM C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000579910496 1080966240 /nfs/dbraw/zinc/96/62/40/1080966240.db2.gz ZVXNHVPYCFTSMW-VIFPVBQESA-N -1 3 354.284 4.061 20 5 FIBDHM CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000472250987 1085573990 /nfs/dbraw/zinc/57/39/90/1085573990.db2.gz KJJUHQIJUORDGS-UHFFFAOYSA-N -1 3 350.374 4.119 20 5 FIBDHM COc1ccc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)cc1[N+](=O)[O-] ZINC000543856612 1087590946 /nfs/dbraw/zinc/59/09/46/1087590946.db2.gz MNJVFUHGNUFHFS-UHFFFAOYSA-N -1 3 373.752 4.164 20 5 FIBDHM COc1cc(C(=O)[N-]c2c(C)noc2-c2ccccc2)cc([N+](=O)[O-])c1C ZINC000190214723 1090435247 /nfs/dbraw/zinc/43/52/47/1090435247.db2.gz IERSFHMDSZAYRZ-UHFFFAOYSA-N -1 3 367.361 4.128 20 5 FIBDHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444254380 1095908977 /nfs/dbraw/zinc/90/89/77/1095908977.db2.gz XCMHQBDXASRCER-UHFFFAOYSA-N -1 3 364.788 4.293 20 5 FIBDHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000192507200 1099994169 /nfs/dbraw/zinc/99/41/69/1099994169.db2.gz KKHPKDUHNSPIKC-UHFFFAOYSA-N -1 3 366.420 4.024 20 5 FIBDHM Cc1ccc(C(C)C)c(Oc2ccc(CN(C)CC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000263393830 1102104876 /nfs/dbraw/zinc/10/48/76/1102104876.db2.gz FZLHIXLZSSMRSG-UHFFFAOYSA-N -1 3 372.421 4.335 20 5 FIBDHM O=C([N-]c1sc2c(c1C(=O)C1CC1)CCC2)c1ccc([N+](=O)[O-])s1 ZINC000446613540 1109288781 /nfs/dbraw/zinc/28/87/81/1109288781.db2.gz VKDNLODDNJQKQS-UHFFFAOYSA-N -1 3 362.432 4.052 20 5 FIBDHM CCC1(c2ccc(Cl)cc2)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596221971 1115579146 /nfs/dbraw/zinc/57/91/46/1115579146.db2.gz HOXUBJOUMQGNJW-UHFFFAOYSA-N -1 3 361.829 4.297 20 5 FIBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)c1 ZINC000603562006 1115794379 /nfs/dbraw/zinc/79/43/79/1115794379.db2.gz CEXPOWZILXJWEI-UHFFFAOYSA-N -1 3 372.377 4.202 20 5 FIBDHM Cc1ccc(C[C@@H]2CCCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000593734005 1115809190 /nfs/dbraw/zinc/80/91/90/1115809190.db2.gz JLDBDQQUCSCSTC-KRWDZBQOSA-N -1 3 368.433 4.056 20 5 FIBDHM COc1ccc([N-]C(=O)c2ccc(Oc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000177570918 1081226114 /nfs/dbraw/zinc/22/61/14/1081226114.db2.gz WGYWVTKQBHHRCK-UHFFFAOYSA-N -1 3 354.318 4.241 20 5 FIBDHM O=C([O-])c1ccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1Cl ZINC000579980479 1081350003 /nfs/dbraw/zinc/35/00/03/1081350003.db2.gz ZDUDPDOOEXVIAF-HNNXBMFYSA-N -1 3 374.824 4.326 20 5 FIBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134223646 1081940691 /nfs/dbraw/zinc/94/06/91/1081940691.db2.gz RQGZMDRDJKJUST-UHFFFAOYSA-N -1 3 372.324 4.050 20 5 FIBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000512152665 1086841411 /nfs/dbraw/zinc/84/14/11/1086841411.db2.gz FOEVPVWKDIKVTQ-SNVBAGLBSA-N -1 3 374.871 4.048 20 5 FIBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000512152664 1086842011 /nfs/dbraw/zinc/84/20/11/1086842011.db2.gz FOEVPVWKDIKVTQ-JTQLQIEISA-N -1 3 374.871 4.048 20 5 FIBDHM Cc1cc(Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)ccc1[N+](=O)[O-] ZINC000436952685 1099469380 /nfs/dbraw/zinc/46/93/80/1099469380.db2.gz XTZBHZUSCLAIGM-UHFFFAOYSA-N -1 3 353.378 4.373 20 5 FIBDHM Cc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c([O-])c1C ZINC000436952625 1099469836 /nfs/dbraw/zinc/46/98/36/1099469836.db2.gz YAUDZGWVNYTFKN-UHFFFAOYSA-N -1 3 364.361 4.039 20 5 FIBDHM O=C([O-])c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000426708093 1102945207 /nfs/dbraw/zinc/94/52/07/1102945207.db2.gz GSICFYYYBZXYFZ-UHFFFAOYSA-N -1 3 368.414 4.311 20 5 FIBDHM O=C(Nc1cccc(CSC2CCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444997535 1108339557 /nfs/dbraw/zinc/33/95/57/1108339557.db2.gz OQOUSPJVQLWUMC-UHFFFAOYSA-N -1 3 373.434 4.124 20 5 FIBDHM Cc1c(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000595279977 1115522871 /nfs/dbraw/zinc/52/28/71/1115522871.db2.gz NXVCHSKYJCXWQW-UHFFFAOYSA-N -1 3 368.433 4.056 20 5 FIBDHM C[C@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000596148185 1115575562 /nfs/dbraw/zinc/57/55/62/1115575562.db2.gz ZBNPNMDQRUVULK-SNVBAGLBSA-N -1 3 355.316 4.320 20 5 FIBDHM Cc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(O[C@@H](C)CC(C)C)c1 ZINC000596163840 1115578079 /nfs/dbraw/zinc/57/80/79/1115578079.db2.gz RLIFHGDDJPUHQK-AWEZNQCLSA-N -1 3 359.426 4.429 20 5 FIBDHM O=c1[n-]ccc(N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000596231270 1115579735 /nfs/dbraw/zinc/57/97/35/1115579735.db2.gz PBRJWHMNUKZSQO-OLZOCXBDSA-N -1 3 367.327 4.462 20 5 FIBDHM CC(C)CCSc1ccc(C(=O)Nc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000058403630 212009882 /nfs/dbraw/zinc/00/98/82/212009882.db2.gz GBMZPJWZPRPQJP-UHFFFAOYSA-N -1 3 361.423 4.086 20 5 FIBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1cccc2ccccc21 ZINC000071989495 221394347 /nfs/dbraw/zinc/39/43/47/221394347.db2.gz LSYAAWJXGWVYLC-CQSZACIVSA-N -1 3 370.430 4.096 20 5 FIBDHM COc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cc1[N+](=O)[O-] ZINC000436609319 568033587 /nfs/dbraw/zinc/03/35/87/568033587.db2.gz IKFMZCPNPZJMGP-UHFFFAOYSA-N -1 3 363.329 4.179 20 5 FIBDHM CC(C)c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c([O-])c1 ZINC000436615541 568061178 /nfs/dbraw/zinc/06/11/78/568061178.db2.gz FLTRTUVGLMWGDM-UHFFFAOYSA-N -1 3 354.406 4.229 20 5 FIBDHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000178174932 1084801113 /nfs/dbraw/zinc/80/11/13/1084801113.db2.gz JUICFSMQPOELIF-AWEZNQCLSA-N -1 3 350.374 4.100 20 5 FIBDHM COc1cc(CNc2cc(C)cc(C(F)(F)F)c2)c([N+](=O)[O-])cc1[O-] ZINC000616999933 1091734650 /nfs/dbraw/zinc/73/46/50/1091734650.db2.gz QLHLULDWIIDHEP-UHFFFAOYSA-N -1 3 356.300 4.248 20 5 FIBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000537263779 1101608458 /nfs/dbraw/zinc/60/84/58/1101608458.db2.gz IHKDGGOFKQESER-UHFFFAOYSA-N -1 3 358.394 4.249 20 5 FIBDHM Cc1cccc([C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C(=O)[O-])c1C ZINC000426735647 1102953557 /nfs/dbraw/zinc/95/35/57/1102953557.db2.gz GHIXYXUIBBUOJG-LJQANCHMSA-N -1 3 356.422 4.251 20 5 FIBDHM Cc1cc(C)cc([C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000426759966 1102973425 /nfs/dbraw/zinc/97/34/25/1102973425.db2.gz PIJWWSJCEWXDNC-LJQANCHMSA-N -1 3 356.422 4.251 20 5 FIBDHM Cc1cc(C)cc([C@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000426759965 1102973593 /nfs/dbraw/zinc/97/35/93/1102973593.db2.gz PIJWWSJCEWXDNC-IBGZPJMESA-N -1 3 356.422 4.251 20 5 FIBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SC(F)(F)F)c1 ZINC000067548825 1107879540 /nfs/dbraw/zinc/87/95/40/1107879540.db2.gz XCNVDKNHYVQQHF-UHFFFAOYSA-N -1 3 372.324 4.468 20 5 FIBDHM CC(C)Sc1ccccc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532117008 1108677274 /nfs/dbraw/zinc/67/72/74/1108677274.db2.gz DGJAKYUVYCYXCM-UHFFFAOYSA-N -1 3 360.391 4.076 20 5 FIBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541754289 1118631180 /nfs/dbraw/zinc/63/11/80/1118631180.db2.gz MWPIEWSYYPRIFN-UHFFFAOYSA-N -1 3 373.434 4.230 20 5 FIBDHM COc1cc(CN[C@H]2CCCc3sc(Cl)cc32)c([N+](=O)[O-])cc1[O-] ZINC000492243917 1119054002 /nfs/dbraw/zinc/05/40/02/1119054002.db2.gz YBYFXGBZKTUJRV-NSHDSACASA-N -1 3 368.842 4.191 20 5 FIBDHM Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1C(F)(F)F ZINC000071885500 221386095 /nfs/dbraw/zinc/38/60/95/221386095.db2.gz OUXLPMJINPOFDY-UHFFFAOYSA-N -1 3 364.283 4.051 20 5 FIBDHM O=C([N-]c1c(F)cc(F)cc1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000175308835 1079849112 /nfs/dbraw/zinc/84/91/12/1079849112.db2.gz SEFVCXOAOUZZFT-UHFFFAOYSA-N -1 3 352.293 4.479 20 5 FIBDHM CSc1cc(C)ccc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000891599121 1082961903 /nfs/dbraw/zinc/96/19/03/1082961903.db2.gz SWQXQUDIIANKOI-UHFFFAOYSA-N -1 3 374.418 4.039 20 5 FIBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000512147334 1086833881 /nfs/dbraw/zinc/83/38/81/1086833881.db2.gz NRJJOOJQOKFYPH-JTQLQIEISA-N -1 3 374.871 4.048 20 5 FIBDHM O=C(Nc1ncccc1[O-])c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442896574 1092829918 /nfs/dbraw/zinc/82/99/18/1092829918.db2.gz WMTODBYOACLPTJ-UHFFFAOYSA-N -1 3 367.386 4.099 20 5 FIBDHM O=C(Nc1ccc(Cl)cc1[O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000533158750 1098811383 /nfs/dbraw/zinc/81/13/83/1098811383.db2.gz PJBLLDHZGZEZCL-UHFFFAOYSA-N -1 3 360.675 4.225 20 5 FIBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000426825162 1103023684 /nfs/dbraw/zinc/02/36/84/1103023684.db2.gz PSAYDNZATJBFER-IBGZPJMESA-N -1 3 356.422 4.332 20 5 FIBDHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445131494 1108465459 /nfs/dbraw/zinc/46/54/59/1108465459.db2.gz DWZSZFJRUKGOJK-UHFFFAOYSA-N -1 3 364.788 4.293 20 5 FIBDHM Cc1noc(C(C)C)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000928787535 1109259461 /nfs/dbraw/zinc/25/94/61/1109259461.db2.gz NHMUTEJQZQDTTR-UHFFFAOYSA-N -1 3 368.187 4.029 20 5 FIBDHM COC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000483082627 1113439068 /nfs/dbraw/zinc/43/90/68/1113439068.db2.gz NVPOYIVASPGVTI-UHFFFAOYSA-N -1 3 368.436 4.054 20 5 FIBDHM Cc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(O[C@H](C)CC(C)C)c1 ZINC000596163841 1115577865 /nfs/dbraw/zinc/57/78/65/1115577865.db2.gz RLIFHGDDJPUHQK-CQSZACIVSA-N -1 3 359.426 4.429 20 5 FIBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(Oc2ccccc2)ccn1 ZINC000174056571 1116112143 /nfs/dbraw/zinc/11/21/43/1116112143.db2.gz MORNRBMSLBFMER-UHFFFAOYSA-N -1 3 371.299 4.313 20 5 FIBDHM CCc1ccc([O-])c(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000540565917 1118123416 /nfs/dbraw/zinc/12/34/16/1118123416.db2.gz UCRQNKLZDUQUSW-UHFFFAOYSA-N -1 3 363.373 4.177 20 5 FIBDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc2ccccc2c2cccnc12 ZINC000613341502 1119566664 /nfs/dbraw/zinc/56/66/64/1119566664.db2.gz UHWXYRXEDNLEQS-UHFFFAOYSA-N -1 3 355.357 4.018 20 5 FIBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1ccccc1SC(F)(F)F ZINC000916060850 1121396893 /nfs/dbraw/zinc/39/68/93/1121396893.db2.gz GTGHOSVCKDJHKK-UHFFFAOYSA-N -1 3 372.324 4.468 20 5 FIBDHM O=C([N-]c1nc(C2CC2)cs1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000568139581 567932005 /nfs/dbraw/zinc/93/20/05/567932005.db2.gz IGJUBTRJGRYWTM-UHFFFAOYSA-N -1 3 357.313 4.200 20 5 FIBDHM Cc1c(C(=O)[N-]c2nc(Sc3ccccc3)ns2)cccc1[N+](=O)[O-] ZINC000609482528 568342945 /nfs/dbraw/zinc/34/29/45/568342945.db2.gz IJWNQSQJGJWOAF-UHFFFAOYSA-N -1 3 372.431 4.158 20 5 FIBDHM CCCc1csc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC000569625780 568410814 /nfs/dbraw/zinc/41/08/14/568410814.db2.gz NHORILAFPJEGTK-UHFFFAOYSA-N -1 3 359.329 4.275 20 5 FIBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cc(Cl)ccc1SC ZINC000064848474 1081059135 /nfs/dbraw/zinc/05/91/35/1081059135.db2.gz VEKSFCFMGRVSRQ-UHFFFAOYSA-N -1 3 352.799 4.231 20 5 FIBDHM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)s1 ZINC000539299079 1084488843 /nfs/dbraw/zinc/48/88/43/1084488843.db2.gz VOZSKHXZAWNOBE-UHFFFAOYSA-N -1 3 366.468 4.152 20 5 FIBDHM O=C(c1cc([O-])c2ccccc2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000526921370 1109642394 /nfs/dbraw/zinc/64/23/94/1109642394.db2.gz GHYHTQARASMVHV-UHFFFAOYSA-N -1 3 362.385 4.258 20 5 FIBDHM CSc1ccc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)cc1[N+](=O)[O-] ZINC000540741123 1118228061 /nfs/dbraw/zinc/22/80/61/1118228061.db2.gz DVOPCWPGHMYEPG-UHFFFAOYSA-N -1 3 366.345 4.050 20 5 FIBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1c(F)cc(C(F)(F)F)cc1F ZINC000464527962 1118592546 /nfs/dbraw/zinc/59/25/46/1118592546.db2.gz RFOAIIZZCFKXSL-UHFFFAOYSA-N -1 3 364.201 4.283 20 5 FIBDHM CC[C@H](C)Sc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000193498187 1120929734 /nfs/dbraw/zinc/92/97/34/1120929734.db2.gz MBZCYCJSLSOWIZ-NSHDSACASA-N -1 3 361.423 4.147 20 5 FIBDHM Cc1cnc(Sc2nnc([N-]c3ccccc3F)s2)c([N+](=O)[O-])c1 ZINC000301435914 1121154786 /nfs/dbraw/zinc/15/47/86/1121154786.db2.gz KIOLXLQQDXWLGM-UHFFFAOYSA-N -1 3 363.399 4.184 20 5 FIBDHM Cc1ccc(-c2nc(NC(=O)c3cc4ccccc4c4cccnc34)n[n-]2)o1 ZINC000497735896 1122379792 /nfs/dbraw/zinc/37/97/92/1122379792.db2.gz PNQLQOIXLJSHRI-UHFFFAOYSA-N -1 3 369.384 4.327 20 5 FIBDHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000194568132 1122539395 /nfs/dbraw/zinc/53/93/95/1122539395.db2.gz DUAFQYSCUIPIDR-UHFFFAOYSA-N -1 3 374.809 4.327 20 5 FIBDHM Cc1ccsc1-c1nsc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])n1 ZINC000131875671 1125044605 /nfs/dbraw/zinc/04/46/05/1125044605.db2.gz ORLSURJKVGBEMF-UHFFFAOYSA-N -1 3 360.420 4.044 20 5 FIBDHM Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cc([O-])ccc2C(F)(F)F)n1 ZINC000568137518 567931326 /nfs/dbraw/zinc/93/13/26/567931326.db2.gz GGEXKVUFLZJHAB-UHFFFAOYSA-N -1 3 365.267 4.345 20 5 FIBDHM Cc1ccccc1-c1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cs1 ZINC000066274205 1084248777 /nfs/dbraw/zinc/24/87/77/1084248777.db2.gz TUFPRNBUTGXXEA-UHFFFAOYSA-N -1 3 357.366 4.418 20 5 FIBDHM O=C([N-]c1c(F)cccc1F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050256868 1085123495 /nfs/dbraw/zinc/12/34/95/1085123495.db2.gz HQDJOQMBDSZWFR-UHFFFAOYSA-N -1 3 361.329 4.249 20 5 FIBDHM COc1cc(Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)ccc1[N+](=O)[O-] ZINC000612965023 1085997528 /nfs/dbraw/zinc/99/75/28/1085997528.db2.gz CIMZYPXKIOXOKV-UHFFFAOYSA-N -1 3 369.377 4.073 20 5 FIBDHM CC(C)c1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000417611052 1090938980 /nfs/dbraw/zinc/93/89/80/1090938980.db2.gz AGORIFHAFHYFPR-ROUUACIJSA-N -1 3 354.406 4.121 20 5 FIBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)s2)on1 ZINC000473359885 1092759728 /nfs/dbraw/zinc/75/97/28/1092759728.db2.gz WIRTWTLKYXJDEE-UHFFFAOYSA-N -1 3 367.745 4.356 20 5 FIBDHM O=C([N-]c1c(F)cc(F)cc1F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437029499 1099542920 /nfs/dbraw/zinc/54/29/20/1099542920.db2.gz QKRCJZZPDJTCHQ-UHFFFAOYSA-N -1 3 364.201 4.283 20 5 FIBDHM CC(C)(C)c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c([O-])c1 ZINC000506238388 1100667325 /nfs/dbraw/zinc/66/73/25/1100667325.db2.gz PSIUTFFGHAAZMT-UHFFFAOYSA-N -1 3 353.378 4.332 20 5 FIBDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000530874687 1107378395 /nfs/dbraw/zinc/37/83/95/1107378395.db2.gz ALCYQTSBQCLSRD-UHFFFAOYSA-N -1 3 366.348 4.283 20 5 FIBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000137622810 1107775665 /nfs/dbraw/zinc/77/56/65/1107775665.db2.gz QAKONMYDNILSGY-UHFFFAOYSA-N -1 3 366.468 4.108 20 5 FIBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc([O-])c2ccccc2c1 ZINC000527467418 1109761601 /nfs/dbraw/zinc/76/16/01/1109761601.db2.gz ZEQXXMNXPUPWTO-UHFFFAOYSA-N -1 3 364.401 4.206 20 5 FIBDHM Cc1ccccc1-c1cnc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC001126629912 1110153515 /nfs/dbraw/zinc/15/35/15/1110153515.db2.gz ZATRTBMFMISWBD-UHFFFAOYSA-N -1 3 357.366 4.418 20 5 FIBDHM Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n1 ZINC000159556782 1113201553 /nfs/dbraw/zinc/20/15/53/1113201553.db2.gz YBDBKYYJBIDSBL-UHFFFAOYSA-N -1 3 364.452 4.042 20 5 FIBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000588079674 1114520645 /nfs/dbraw/zinc/52/06/45/1114520645.db2.gz VPEWDKNTGKSAKK-UHFFFAOYSA-N -1 3 369.402 4.369 20 5 FIBDHM O=c1[n-]ccc(N2CCC[C@H](Cc3csc4ccccc34)C2)c1[N+](=O)[O-] ZINC000596196606 1115577166 /nfs/dbraw/zinc/57/71/66/1115577166.db2.gz SEJZGXREENZGHM-CYBMUJFWSA-N -1 3 369.446 4.369 20 5 FIBDHM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1[O-] ZINC000534724154 1116230125 /nfs/dbraw/zinc/23/01/25/1116230125.db2.gz SGOXMWUTASZROK-UHFFFAOYSA-N -1 3 371.176 4.015 20 5 FIBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000152895666 1119537509 /nfs/dbraw/zinc/53/75/09/1119537509.db2.gz KRMQKBKFEYWSGS-UHFFFAOYSA-N -1 3 355.272 4.040 20 5 FIBDHM CC(=O)c1ccc(-c2ccc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)o2)cc1 ZINC000916667153 1121603804 /nfs/dbraw/zinc/60/38/04/1121603804.db2.gz XTGKDVYKFKSYIY-UHFFFAOYSA-N -1 3 368.320 4.449 20 5 FIBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1cccc2ccccc21 ZINC000071989493 221394237 /nfs/dbraw/zinc/39/42/37/221394237.db2.gz LSYAAWJXGWVYLC-AWEZNQCLSA-N -1 3 370.430 4.096 20 5 FIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)cc1 ZINC000031721664 568336384 /nfs/dbraw/zinc/33/63/84/568336384.db2.gz DPRAYFDHHHQEMD-UHFFFAOYSA-N -1 3 372.377 4.202 20 5 FIBDHM CSc1ccc(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 ZINC000070751798 1079979295 /nfs/dbraw/zinc/97/92/95/1079979295.db2.gz LLEOMAAIXUFMEK-UHFFFAOYSA-N -1 3 361.404 4.286 20 5 FIBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000047442672 1080506355 /nfs/dbraw/zinc/50/63/55/1080506355.db2.gz KGVJLXBYKJCIGP-UHFFFAOYSA-N -1 3 373.752 4.164 20 5 FIBDHM CC(C)c1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000417611050 1090938998 /nfs/dbraw/zinc/93/89/98/1090938998.db2.gz AGORIFHAFHYFPR-MSOLQXFVSA-N -1 3 354.406 4.121 20 5 FIBDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2C(F)(F)F)cnn1C1CCCC1 ZINC000413257075 1094805192 /nfs/dbraw/zinc/80/51/92/1094805192.db2.gz BYHHTRZSPICCDP-UHFFFAOYSA-N -1 3 355.320 4.372 20 5 FIBDHM Cc1cc(C)c2cc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)sc2n1 ZINC000897526173 1099428894 /nfs/dbraw/zinc/42/88/94/1099428894.db2.gz QELXWHABVMORLP-UHFFFAOYSA-N -1 3 363.345 4.352 20 5 FIBDHM CC(C)c1ccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426717787 1102938391 /nfs/dbraw/zinc/93/83/91/1102938391.db2.gz RXCPEBTXOXXJFH-AUUYWEPGSA-N -1 3 356.422 4.270 20 5 FIBDHM CC(C)(NCc1cccc([O-])c1Br)c1ccccc1[N+](=O)[O-] ZINC000459563044 1116287080 /nfs/dbraw/zinc/28/70/80/1116287080.db2.gz UIBHMYXUOKDAAS-UHFFFAOYSA-N -1 3 365.227 4.088 20 5 FIBDHM CCOc1cc(NCc2ccc([O-])c(Br)c2)ccc1[N+](=O)[O-] ZINC000301679171 1124952780 /nfs/dbraw/zinc/95/27/80/1124952780.db2.gz DWXXKXNOZQVAKC-UHFFFAOYSA-N -1 3 367.199 4.074 20 5 FIBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CCC)s1 ZINC000502537407 1095561177 /nfs/dbraw/zinc/56/11/77/1095561177.db2.gz JEFHTGBXZLIFMP-UHFFFAOYSA-N -1 3 366.468 4.153 20 5 FIBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccsc2Cl)cc1[N+](=O)[O-] ZINC000437666930 1100093381 /nfs/dbraw/zinc/09/33/81/1100093381.db2.gz LTMBYXHXLCUKLH-UHFFFAOYSA-N -1 3 367.235 4.072 20 5 FIBDHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000426813865 1103008799 /nfs/dbraw/zinc/00/87/99/1103008799.db2.gz AEHPEOJVXBWKCW-SFHVURJKSA-N -1 3 356.422 4.332 20 5 FIBDHM Cc1cccc(Oc2ncccc2[N-]C(=O)c2ccc([N+](=O)[O-])o2)c1C ZINC000054347052 1103819182 /nfs/dbraw/zinc/81/91/82/1103819182.db2.gz OZIDGONBZTVRIO-UHFFFAOYSA-N -1 3 353.334 4.244 20 5 FIBDHM O=C([N-]c1ncc(Cc2cccc(Cl)c2)s1)c1ccc([N+](=O)[O-])o1 ZINC000054772031 1114387398 /nfs/dbraw/zinc/38/73/98/1114387398.db2.gz BWQXNJNCUFYDJZ-UHFFFAOYSA-N -1 3 363.782 4.141 20 5 FIBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000057681301 1114975789 /nfs/dbraw/zinc/97/57/89/1114975789.db2.gz DUQBZXURANYLPC-SECBINFHSA-N -1 3 352.799 4.073 20 5 FIBDHM O=C([N-]c1csc(-c2ccccn2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000499397242 1122169195 /nfs/dbraw/zinc/16/91/95/1122169195.db2.gz WSKXNUHDJAXBJP-UHFFFAOYSA-N -1 3 360.782 4.019 20 5 FIBDHM Cc1ccnc([N-]c2cnn(-c3cccc(C(F)(F)F)c3)c2)c1[N+](=O)[O-] ZINC000609670181 1123789429 /nfs/dbraw/zinc/78/94/29/1123789429.db2.gz XHZVXOFYTNEMPY-UHFFFAOYSA-N -1 3 363.299 4.246 20 5 FIBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000180135943 1124247358 /nfs/dbraw/zinc/24/73/58/1124247358.db2.gz WFYABGYAJIKBOB-UHFFFAOYSA-N -1 3 366.468 4.323 20 5 FIBDHM O=[N+]([O-])c1cccc(CCc2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436614739 568059407 /nfs/dbraw/zinc/05/94/07/568059407.db2.gz ALEWTGDBKMFMMI-UHFFFAOYSA-N -1 3 361.357 4.289 20 5 FIBDHM Cc1c(Cc2noc(-c3cc4ccccc4cc3[O-])n2)cccc1[N+](=O)[O-] ZINC000436948376 1099458120 /nfs/dbraw/zinc/45/81/20/1099458120.db2.gz WKZWSICQSXKSMV-UHFFFAOYSA-N -1 3 361.357 4.403 20 5 FIBDHM CCOc1cc(/C=C\c2ccc([N+](=O)[O-])cn2)cc(Br)c1[O-] ZINC000439537343 1101549173 /nfs/dbraw/zinc/54/91/73/1101549173.db2.gz YPVSCSOXMRJJPC-ARJAWSKDSA-N -1 3 365.183 4.027 20 5 FIBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CC)s1 ZINC000537391023 1101729612 /nfs/dbraw/zinc/72/96/12/1101729612.db2.gz IOCKXDCFNLXWFD-UHFFFAOYSA-N -1 3 366.468 4.153 20 5 FIBDHM CC(C)(C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000476145955 1101980802 /nfs/dbraw/zinc/98/08/02/1101980802.db2.gz HXJGMFPUWMTFTM-UHFFFAOYSA-N -1 3 368.311 4.236 20 5 FIBDHM O=C([N-]c1ncc(Cc2ccccc2Cl)s1)c1ccc([N+](=O)[O-])o1 ZINC000053896395 1102542038 /nfs/dbraw/zinc/54/20/38/1102542038.db2.gz HRSZWUMWBWKACC-UHFFFAOYSA-N -1 3 363.782 4.141 20 5 FIBDHM CC(C)c1ccc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426717790 1102938649 /nfs/dbraw/zinc/93/86/49/1102938649.db2.gz RXCPEBTXOXXJFH-LIRRHRJNSA-N -1 3 356.422 4.270 20 5 FIBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000553004226 1111879020 /nfs/dbraw/zinc/87/90/20/1111879020.db2.gz QEHIYJQWWYLKLQ-UHFFFAOYSA-N -1 3 364.452 4.077 20 5 FIBDHM COc1cc(CNc2ccc(-c3ccco3)cc2F)c([N+](=O)[O-])cc1[O-] ZINC000486789816 1113645536 /nfs/dbraw/zinc/64/55/36/1113645536.db2.gz WAPVUADRSDBVQY-UHFFFAOYSA-N -1 3 358.325 4.320 20 5 FIBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000596203670 1115577606 /nfs/dbraw/zinc/57/76/06/1115577606.db2.gz JQPQUYFZQPRKTN-UHFFFAOYSA-N -1 3 355.316 4.104 20 5 FIBDHM CC(C)(C)c1ccc(C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596253489 1115579110 /nfs/dbraw/zinc/57/91/10/1115579110.db2.gz AKVUKZGUGSQFGE-UHFFFAOYSA-N -1 3 355.438 4.377 20 5 FIBDHM CC[C@H](c1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000609305629 1123278611 /nfs/dbraw/zinc/27/86/11/1123278611.db2.gz WAGSIMWJUURUGR-ZDUSSCGKSA-N -1 3 368.418 4.241 20 5 FIBDHM C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000921005901 1123553051 /nfs/dbraw/zinc/55/30/51/1123553051.db2.gz LRGHZCAFJZFZAW-SNVBAGLBSA-N -1 3 354.740 4.217 20 5 FIBDHM Cc1cc(Oc2ccccc2)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618375000 1125154108 /nfs/dbraw/zinc/15/41/08/1125154108.db2.gz OSQNKUXMKGQTII-UHFFFAOYSA-N -1 3 365.345 4.048 20 5 FIBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000007416701 568505409 /nfs/dbraw/zinc/50/54/09/568505409.db2.gz TVKRRYQGDYNKAB-UHFFFAOYSA-N -1 3 361.206 4.011 20 5 FIBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ncoc1-c1ccccc1Cl ZINC000610225823 1080033765 /nfs/dbraw/zinc/03/37/65/1080033765.db2.gz UHINXVILDHQHOX-UHFFFAOYSA-N -1 3 361.716 4.295 20 5 FIBDHM CCCCc1ccc(-c2csc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)cc1 ZINC000127034736 1080068300 /nfs/dbraw/zinc/06/83/00/1080068300.db2.gz AZNNRGCQYYXPCW-UHFFFAOYSA-N -1 3 371.422 4.036 20 5 FIBDHM CSc1ccncc1[N-]C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000610545505 1082943417 /nfs/dbraw/zinc/94/34/17/1082943417.db2.gz MNJFFBDFMRHGBB-UHFFFAOYSA-N -1 3 372.431 4.088 20 5 FIBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1[O-] ZINC000536219851 1087523408 /nfs/dbraw/zinc/52/34/08/1087523408.db2.gz KGTVHYWHISDSJP-QMMMGPOBSA-N -1 3 371.176 4.013 20 5 FIBDHM COc1cccc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)c1[N+](=O)[O-] ZINC000436040999 1098668976 /nfs/dbraw/zinc/66/89/76/1098668976.db2.gz CDENWLOCOYXPMS-UHFFFAOYSA-N -1 3 356.712 4.096 20 5 FIBDHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000426808148 1102989441 /nfs/dbraw/zinc/98/94/41/1102989441.db2.gz KZDSPMPRHNZNRV-KRWDZBQOSA-N -1 3 372.421 4.032 20 5 FIBDHM CCSCc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000450850665 1106755537 /nfs/dbraw/zinc/75/55/37/1106755537.db2.gz VRSXRMPMUVXSOO-UHFFFAOYSA-N -1 3 372.493 4.057 20 5 FIBDHM CC(C)Oc1cc(C(=O)[N-]c2c(F)cc(F)cc2F)ccc1[N+](=O)[O-] ZINC001126616891 1107947027 /nfs/dbraw/zinc/94/70/27/1107947027.db2.gz XTLGFLCVNPWOSM-UHFFFAOYSA-N -1 3 354.284 4.052 20 5 FIBDHM Cc1ccc(F)c([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000445245175 1108577717 /nfs/dbraw/zinc/57/77/17/1108577717.db2.gz ATVNGGQTYOQKRY-UHFFFAOYSA-N -1 3 359.176 4.119 20 5 FIBDHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000060517162 1115658511 /nfs/dbraw/zinc/65/85/11/1115658511.db2.gz OGQVUFGQDDJPOV-UHFFFAOYSA-N -1 3 374.759 4.134 20 5 FIBDHM CC(C)c1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000436588587 567946683 /nfs/dbraw/zinc/94/66/83/567946683.db2.gz HZZHVXZAIAGJPO-IBGZPJMESA-N -1 3 372.446 4.312 20 5 FIBDHM Cc1ccc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)cc1[N+](=O)[O-] ZINC000065813277 568059205 /nfs/dbraw/zinc/05/92/05/568059205.db2.gz KHACBYPWTQZHMY-UHFFFAOYSA-N -1 3 374.809 4.327 20 5 FIBDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134222517 1081913156 /nfs/dbraw/zinc/91/31/56/1081913156.db2.gz QNMDEWDMIGCZDA-UHFFFAOYSA-N -1 3 365.267 4.053 20 5 FIBDHM Cc1nc(-c2ccccc2)sc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000061038820 1086690436 /nfs/dbraw/zinc/69/04/36/1086690436.db2.gz LMTBAMMTNKSIMM-UHFFFAOYSA-N -1 3 357.366 4.418 20 5 FIBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000536216000 1087462722 /nfs/dbraw/zinc/46/27/22/1087462722.db2.gz WYKAUIHYCFTWIK-UHFFFAOYSA-N -1 3 362.385 4.452 20 5 FIBDHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1[O-] ZINC000536219842 1087523423 /nfs/dbraw/zinc/52/34/23/1087523423.db2.gz KGTVHYWHISDSJP-MRVPVSSYSA-N -1 3 371.176 4.013 20 5 FIBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000433180190 1093381519 /nfs/dbraw/zinc/38/15/19/1093381519.db2.gz ZXHRWRBNEUJLCO-UHFFFAOYSA-N -1 3 372.805 4.113 20 5 FIBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000502578166 1095609009 /nfs/dbraw/zinc/60/90/09/1095609009.db2.gz WQFXNKHAZNZURZ-UHFFFAOYSA-N -1 3 366.468 4.324 20 5 FIBDHM O=C([N-]c1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc([N+](=O)[O-])o1 ZINC000899895217 1113056069 /nfs/dbraw/zinc/05/60/69/1113056069.db2.gz KPCTZZDUMPYHFD-UHFFFAOYSA-N -1 3 355.375 4.052 20 5 FIBDHM O=c1[n-]ccc(NC(CCC(F)(F)F)CCC(F)(F)F)c1[N+](=O)[O-] ZINC000596495385 1115596940 /nfs/dbraw/zinc/59/69/40/1115596940.db2.gz AGRDTBBVONBUFF-UHFFFAOYSA-N -1 3 361.242 4.161 20 5 FIBDHM CCOc1ccc(F)c([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1F ZINC000534033737 1116148354 /nfs/dbraw/zinc/14/83/54/1116148354.db2.gz WPANVBSRPCPRSN-UHFFFAOYSA-N -1 3 356.712 4.177 20 5 FIBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154092296 1121561976 /nfs/dbraw/zinc/56/19/76/1121561976.db2.gz SPKKBOUYDBDKEQ-UHFFFAOYSA-N -1 3 370.390 4.144 20 5 FIBDHM Cc1nc(CC(C)C)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)s1 ZINC000154989643 1123018490 /nfs/dbraw/zinc/01/84/90/1123018490.db2.gz CJRCWDBWPQCQRP-UHFFFAOYSA-N -1 3 355.366 4.089 20 5 FIBDHM COc1ccc(-c2ncc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)s2)cc1 ZINC000175073331 1123723050 /nfs/dbraw/zinc/72/30/50/1123723050.db2.gz GFZSUWVYLYZHPW-UHFFFAOYSA-N -1 3 373.365 4.118 20 5 FIBDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000617339732 1124513679 /nfs/dbraw/zinc/51/36/79/1124513679.db2.gz JVPOTBPPPMXIEO-SFHVURJKSA-N -1 3 372.421 4.032 20 5 FIBDHM COc1cc(/C=C/c2ccc3cccc([O-])c3n2)c([N+](=O)[O-])cc1OC ZINC000007586343 568245350 /nfs/dbraw/zinc/24/53/50/568245350.db2.gz DBWANUYBNXTXEC-VQHVLOKHSA-N -1 3 352.346 4.036 20 5 FIBDHM O=C([N-]c1nc(-c2ccccc2F)co1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000482133029 568270240 /nfs/dbraw/zinc/27/02/40/568270240.db2.gz ZSEKHNXRUASLCX-UHFFFAOYSA-N -1 3 361.716 4.295 20 5 FIBDHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000178174945 1082939767 /nfs/dbraw/zinc/93/97/67/1082939767.db2.gz JUICFSMQPOELIF-CQSZACIVSA-N -1 3 350.374 4.100 20 5 FIBDHM COc1ccc([N-]C(=O)c2csc(-c3cccs3)n2)c([N+](=O)[O-])c1 ZINC000061191351 1085811152 /nfs/dbraw/zinc/81/11/52/1085811152.db2.gz IJDUBHAJONSXCV-UHFFFAOYSA-N -1 3 361.404 4.041 20 5 FIBDHM Cc1cccc([C@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C(=O)[O-])c1C ZINC000426735646 1102953839 /nfs/dbraw/zinc/95/38/39/1102953839.db2.gz GHIXYXUIBBUOJG-IBGZPJMESA-N -1 3 356.422 4.251 20 5 FIBDHM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000426813864 1103007899 /nfs/dbraw/zinc/00/78/99/1103007899.db2.gz AEHPEOJVXBWKCW-GOSISDBHSA-N -1 3 356.422 4.332 20 5 FIBDHM CC(C)(C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000486095720 1113504317 /nfs/dbraw/zinc/50/43/17/1113504317.db2.gz MMRSIWWLJKHZAH-UHFFFAOYSA-N -1 3 368.311 4.236 20 5 FIBDHM Cc1ccc(Cc2cnc([N-]C(=O)c3ccc([N+](=O)[O-])o3)s2)cc1C ZINC000044632073 1114432312 /nfs/dbraw/zinc/43/23/12/1114432312.db2.gz HASBTZOYHLUJAQ-UHFFFAOYSA-N -1 3 357.391 4.104 20 5 FIBDHM O=c1[n-]ccc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596074459 1115573393 /nfs/dbraw/zinc/57/33/93/1115573393.db2.gz UZEIMFDTQGWKKT-BQBZGAKWSA-N -1 3 373.253 4.017 20 5 FIBDHM CCCCOc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1Cl ZINC000596203197 1115576699 /nfs/dbraw/zinc/57/66/99/1115576699.db2.gz AXBFIMJKNNUNJH-UHFFFAOYSA-N -1 3 351.790 4.140 20 5 FIBDHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609853498 1123860461 /nfs/dbraw/zinc/86/04/61/1123860461.db2.gz LUSGIKJNXMUTKD-UHFFFAOYSA-N -1 3 360.782 4.019 20 5 FIBDHM CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1[N+](=O)[O-] ZINC000554057221 1124271673 /nfs/dbraw/zinc/27/16/73/1124271673.db2.gz LAPPRQJCGIRCBE-UHFFFAOYSA-N -1 3 350.374 4.119 20 5 FIBDHM COc1cc(-c2nc3cc(Cl)ccc3n2C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000436656701 568252327 /nfs/dbraw/zinc/25/23/27/568252327.db2.gz NUUQDHKEMBMPDT-UHFFFAOYSA-N -1 3 359.769 4.314 20 5 FIBDHM CCCOc1ccc(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 ZINC000007799816 568259155 /nfs/dbraw/zinc/25/91/55/568259155.db2.gz PTRGMBPHUJTFQY-UHFFFAOYSA-N -1 3 373.390 4.352 20 5 FIBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])c1 ZINC000549346341 1089877227 /nfs/dbraw/zinc/87/72/27/1089877227.db2.gz BZKBGLZBXRBVIE-UHFFFAOYSA-N -1 3 358.394 4.249 20 5 FIBDHM O=c1[n-]c(CSc2cccc([N+](=O)[O-])c2)nc2c3ccccc3oc21 ZINC000509724741 1092706531 /nfs/dbraw/zinc/70/65/31/1092706531.db2.gz ADEXWOSDKSIOGX-UHFFFAOYSA-N -1 3 353.359 4.282 20 5 FIBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000506742362 1101973839 /nfs/dbraw/zinc/97/38/39/1101973839.db2.gz JQLNLWMMFSNXES-UHFFFAOYSA-N -1 3 350.371 4.194 20 5 FIBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000536460854 1105145575 /nfs/dbraw/zinc/14/55/75/1105145575.db2.gz ZIEBPAQNPMXRDY-UHFFFAOYSA-N -1 3 361.206 4.011 20 5 FIBDHM CCc1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000074826505 1108019587 /nfs/dbraw/zinc/01/95/87/1108019587.db2.gz PCAFKHLTZWUZIW-UHFFFAOYSA-N -1 3 354.284 4.134 20 5 FIBDHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445184521 1108503286 /nfs/dbraw/zinc/50/32/86/1108503286.db2.gz FHJPZEMAHQFJPV-UHFFFAOYSA-N -1 3 364.788 4.293 20 5 FIBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000596231271 1115579568 /nfs/dbraw/zinc/57/95/68/1115579568.db2.gz PBRJWHMNUKZSQO-QWHCGFSZSA-N -1 3 367.327 4.462 20 5 FIBDHM O=c1[n-]ccc(N2CCC(c3cccc(Cl)c3Cl)CC2)c1[N+](=O)[O-] ZINC000596241258 1115580081 /nfs/dbraw/zinc/58/00/81/1115580081.db2.gz AZPRRLHCMZYKJL-UHFFFAOYSA-N -1 3 368.220 4.386 20 5 FIBDHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000597724666 1115682582 /nfs/dbraw/zinc/68/25/82/1115682582.db2.gz QPJSRNRWLFRLOH-AWEZNQCLSA-N -1 3 372.446 4.042 20 5 FIBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000593735285 1115811548 /nfs/dbraw/zinc/81/15/48/1115811548.db2.gz LJMSYDUFMXMFDG-MRXNPFEDSA-N -1 3 374.824 4.154 20 5 FIBDHM Cc1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1[O-] ZINC000498661971 1122937569 /nfs/dbraw/zinc/93/75/69/1122937569.db2.gz PNFOAVIIXMUJID-UHFFFAOYSA-N -1 3 357.753 4.063 20 5 FIBDHM Cc1nc(Sc2nnc([N-]c3ccccc3F)s2)ccc1[N+](=O)[O-] ZINC000301644204 1124842558 /nfs/dbraw/zinc/84/25/58/1124842558.db2.gz NCKRPCSNDHFMDD-UHFFFAOYSA-N -1 3 363.399 4.184 20 5 FIBDHM O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4ccc([O-])c5ccccc45)no3)c2c1 ZINC000436606043 568033330 /nfs/dbraw/zinc/03/33/30/568033330.db2.gz DCTZLPWMCNUFIC-UHFFFAOYSA-N -1 3 373.328 4.047 20 5 FIBDHM O=[N+]([O-])c1cc(F)cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436613151 568033405 /nfs/dbraw/zinc/03/34/05/568033405.db2.gz OUHDTTHWGFOIJK-UHFFFAOYSA-N -1 3 351.293 4.310 20 5 FIBDHM O=C([O-])c1cccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1Cl ZINC000563821436 1087063802 /nfs/dbraw/zinc/06/38/02/1087063802.db2.gz IZICUYJSILTAHM-CQSZACIVSA-N -1 3 374.824 4.326 20 5 FIBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc2c(cccc2F)s1 ZINC000897504929 1098725859 /nfs/dbraw/zinc/72/58/59/1098725859.db2.gz LPIXPAXSVQHXQO-UHFFFAOYSA-N -1 3 352.293 4.479 20 5 FIBDHM CC[C@@H](NCc1cccc([O-])c1Br)c1cccc([N+](=O)[O-])c1 ZINC000459414511 1100138185 /nfs/dbraw/zinc/13/81/85/1100138185.db2.gz AABKOYHTVRUPOJ-CQSZACIVSA-N -1 3 365.227 4.304 20 5 FIBDHM Cc1ccc([C@@H](C)NCc2cccc([O-])c2Br)cc1[N+](=O)[O-] ZINC000459418371 1100145168 /nfs/dbraw/zinc/14/51/68/1100145168.db2.gz GATBMAUVXPTBBW-LLVKDONJSA-N -1 3 365.227 4.222 20 5 FIBDHM CC(C)(NCc1cccc([O-])c1Br)c1ccc([N+](=O)[O-])cc1 ZINC000459474619 1100227842 /nfs/dbraw/zinc/22/78/42/1100227842.db2.gz FSRUNEIEERZVQU-UHFFFAOYSA-N -1 3 365.227 4.088 20 5 FIBDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000476166884 1102006255 /nfs/dbraw/zinc/00/62/55/1102006255.db2.gz PIQDGJVNXBKCHO-UHFFFAOYSA-N -1 3 365.267 4.053 20 5 FIBDHM Cc1ccc(SCC(F)(F)F)c([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532139069 1108684148 /nfs/dbraw/zinc/68/41/48/1108684148.db2.gz LLZGUSHMMLBPRK-UHFFFAOYSA-N -1 3 371.340 4.205 20 5 FIBDHM O=c1[n-]ccc(NCC2(c3cccc(C(F)(F)F)c3)CCC2)c1[N+](=O)[O-] ZINC000596137961 1115575260 /nfs/dbraw/zinc/57/52/60/1115575260.db2.gz NYLPDMRIBYKMFS-UHFFFAOYSA-N -1 3 367.327 4.248 20 5 FIBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153652769 1121006963 /nfs/dbraw/zinc/00/69/63/1121006963.db2.gz MZCBIAPXSNHKJI-UHFFFAOYSA-N -1 3 374.702 4.154 20 5 FIBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000122720272 1121052475 /nfs/dbraw/zinc/05/24/75/1121052475.db2.gz XBZZUWUAYUGHEU-UHFFFAOYSA-N -1 3 371.340 4.047 20 5 FIBDHM CC(C)(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000129891902 1122707970 /nfs/dbraw/zinc/70/79/70/1122707970.db2.gz ZOONMURLUONZMH-UHFFFAOYSA-N -1 3 374.344 4.015 20 5 FIBDHM O=[N+]([O-])c1cc(F)ccc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436608207 568032461 /nfs/dbraw/zinc/03/24/61/568032461.db2.gz GQDZTZYTIXLORI-UHFFFAOYSA-N -1 3 351.293 4.310 20 5 FIBDHM O=C([O-])c1ccc(Cl)c(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000569123557 568281957 /nfs/dbraw/zinc/28/19/57/568281957.db2.gz XLOJOKQSTGKIPZ-HNNXBMFYSA-N -1 3 374.824 4.326 20 5 FIBDHM O=C([O-])c1ccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1Cl ZINC000579980480 1081350258 /nfs/dbraw/zinc/35/02/58/1081350258.db2.gz ZDUDPDOOEXVIAF-OAHLLOKOSA-N -1 3 374.824 4.326 20 5 FIBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000512147335 1086833453 /nfs/dbraw/zinc/83/34/53/1086833453.db2.gz NRJJOOJQOKFYPH-SNVBAGLBSA-N -1 3 374.871 4.048 20 5 FIBDHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000436758805 1099273180 /nfs/dbraw/zinc/27/31/80/1099273180.db2.gz OYRWXNWDFJBBCK-UHFFFAOYSA-N -1 3 374.396 4.094 20 5 FIBDHM C[C@@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000596148174 1115575748 /nfs/dbraw/zinc/57/57/48/1115575748.db2.gz ZBNPNMDQRUVULK-JTQLQIEISA-N -1 3 355.316 4.320 20 5 FIBDHM CSc1ccc([O-])c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000596913685 1115627290 /nfs/dbraw/zinc/62/72/90/1115627290.db2.gz MEOWJICEWZTPNN-UHFFFAOYSA-N -1 3 360.435 4.073 20 5 FIBDHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000597724667 1115682781 /nfs/dbraw/zinc/68/27/81/1115682781.db2.gz QPJSRNRWLFRLOH-CQSZACIVSA-N -1 3 372.446 4.042 20 5 FIBDHM O=[N+]([O-])c1ccccc1NCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436615760 568059893 /nfs/dbraw/zinc/05/98/93/568059893.db2.gz FYDIUZWJDYYDFM-UHFFFAOYSA-N -1 3 362.345 4.116 20 5 FIBDHM Cc1ccc([C@H](C)NCc2cccc([O-])c2Br)cc1[N+](=O)[O-] ZINC000459418824 1100145988 /nfs/dbraw/zinc/14/59/88/1100145988.db2.gz GATBMAUVXPTBBW-NSHDSACASA-N -1 3 365.227 4.222 20 5 FIBDHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000426799263 1102997127 /nfs/dbraw/zinc/99/71/27/1102997127.db2.gz KPYJSGHPOHSUHG-GOSISDBHSA-N -1 3 372.421 4.032 20 5 FIBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000596104668 1115572425 /nfs/dbraw/zinc/57/24/25/1115572425.db2.gz KWNKAEWBJVXYCN-UHFFFAOYSA-N -1 3 355.316 4.104 20 5 FIBDHM COc1ccc(C2(CNc3cc[n-]c(=O)c3[N+](=O)[O-])CCCCC2)cc1 ZINC000596091410 1115574236 /nfs/dbraw/zinc/57/42/36/1115574236.db2.gz JNFFRNPQVBZPJU-UHFFFAOYSA-N -1 3 357.410 4.018 20 5 FIBDHM Cc1nc(-c2ccccc2)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)s1 ZINC000170819177 1115786268 /nfs/dbraw/zinc/78/62/68/1115786268.db2.gz JXWMQUGJOYEATC-UHFFFAOYSA-N -1 3 357.366 4.418 20 5 FIBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000593735284 1115811456 /nfs/dbraw/zinc/81/14/56/1115811456.db2.gz LJMSYDUFMXMFDG-INIZCTEOSA-N -1 3 374.824 4.154 20 5 FIBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2Cc2ccccc2F)c1 ZINC000593753923 1115814721 /nfs/dbraw/zinc/81/47/21/1115814721.db2.gz BUVAHQYSNSUJDX-QGZVFWFLSA-N -1 3 372.396 4.029 20 5 FIBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCCC[C@H]2Cc2ccccc2F)c1 ZINC000593753922 1115814823 /nfs/dbraw/zinc/81/48/23/1115814823.db2.gz BUVAHQYSNSUJDX-KRWDZBQOSA-N -1 3 372.396 4.029 20 5 FIBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1occc1COc1ccccc1 ZINC000063446796 1116068579 /nfs/dbraw/zinc/06/85/79/1116068579.db2.gz LSBLJPBTTCPDOG-UHFFFAOYSA-N -1 3 356.309 4.158 20 5 FIBDHM COc1cc(CN[C@@H]2CCCc3sc(Cl)cc32)c([N+](=O)[O-])cc1[O-] ZINC000492243916 1119054263 /nfs/dbraw/zinc/05/42/63/1119054263.db2.gz YBYFXGBZKTUJRV-LLVKDONJSA-N -1 3 368.842 4.191 20 5 FIBDHM Cc1ccc(-c2cc(C(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)on2)cc1 ZINC000915139070 1120834392 /nfs/dbraw/zinc/83/43/92/1120834392.db2.gz ICZCMVRAVOEIIG-UHFFFAOYSA-N -1 3 357.753 4.464 20 5 FIBDHM CC[C@@H](c1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000609305627 1123278625 /nfs/dbraw/zinc/27/86/25/1123278625.db2.gz WAGSIMWJUURUGR-CYBMUJFWSA-N -1 3 368.418 4.241 20 5 FIBDHM CC(C)c1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c([O-])c1 ZINC000436598144 567980185 /nfs/dbraw/zinc/98/01/85/567980185.db2.gz YFCFQQKTGBMAAI-UHFFFAOYSA-N -1 3 354.406 4.229 20 5 FIBDHM Cc1c([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)onc1C1CCCCC1 ZINC000291452248 568163136 /nfs/dbraw/zinc/16/31/36/568163136.db2.gz MDZYELVECMERHD-UHFFFAOYSA-N -1 3 365.336 4.469 20 5 FIBDHM COc1ccc(F)c([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 ZINC000584682284 568184614 /nfs/dbraw/zinc/18/46/14/568184614.db2.gz NVYKWENDNXXGRV-UHFFFAOYSA-N -1 3 358.247 4.014 20 5 FIBDHM CC(C)Cc1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1 ZINC000032892200 568411834 /nfs/dbraw/zinc/41/18/34/568411834.db2.gz VSBDSPKHAADOFK-UHFFFAOYSA-N -1 3 362.436 4.112 20 5 FIBDHM