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(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)C(F)(F)F ZINC000430344123 1020446545 /nfs/dbraw/zinc/44/65/45/1020446545.db2.gz KYSCHMCONBWNMV-UHFFFAOYSA-N -1 1 341.289 4.015 20 5 EIBDMM COC(=O)c1c[n-]c(SCc2nc3ccccc3c3ccccc23)n1 ZINC000519616665 1026910689 /nfs/dbraw/zinc/91/06/89/1026910689.db2.gz FLVHDVLPRZEZLJ-UHFFFAOYSA-N -1 1 349.415 4.190 20 5 EIBDMM Cc1cc(SC(C)(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000725758914 1027539469 /nfs/dbraw/zinc/53/94/69/1027539469.db2.gz UDMONYZHWKVKFX-UHFFFAOYSA-N -1 1 333.413 4.374 20 5 EIBDMM Cc1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cc1[N+](=O)[O-] ZINC000436905182 1041547390 /nfs/dbraw/zinc/54/73/90/1041547390.db2.gz ZTAHAOPQBLVALY-UHFFFAOYSA-N -1 1 347.330 4.479 20 5 EIBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000549928238 1042492416 /nfs/dbraw/zinc/49/24/16/1042492416.db2.gz KZIBETDKHFMAIS-IBGZPJMESA-N -1 1 344.386 4.461 20 5 EIBDMM O=C(Nc1ccccc1Oc1cccc(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000491934249 1042517358 /nfs/dbraw/zinc/51/73/58/1042517358.db2.gz DDCYXAWGDVNQPV-UHFFFAOYSA-N -1 1 341.298 4.107 20 5 EIBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184891064 1044021197 /nfs/dbraw/zinc/02/11/97/1044021197.db2.gz YOGUPDCNYXKHGJ-LBPRGKRZSA-N -1 1 348.786 4.161 20 5 EIBDMM CC[C@H](C)n1ncc([N-]c2nc3ccccn3c2[N+](=O)[O-])c1C1CC1 ZINC000762561518 1045290137 /nfs/dbraw/zinc/29/01/37/1045290137.db2.gz HMDARNSBHXJLKT-NSHDSACASA-N -1 1 340.387 4.031 20 5 EIBDMM O=C(Nc1cccc(CSC2CCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000610127645 1049554070 /nfs/dbraw/zinc/55/40/70/1049554070.db2.gz GQOOGMXLYYCEOV-UHFFFAOYSA-N -1 1 345.424 4.351 20 5 EIBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CC1CCC1)c1ccccc1 ZINC000339078377 1053863056 /nfs/dbraw/zinc/86/30/56/1053863056.db2.gz VFUOVNZPIHWJMK-GOSISDBHSA-N -1 1 326.396 4.322 20 5 EIBDMM O=[N+]([O-])c1cc(Nc2cc(C(F)(F)F)cc(Cl)n2)ccc1[O-] ZINC001210393072 1021070111 /nfs/dbraw/zinc/07/01/11/1021070111.db2.gz MVORPMBXIJAECD-UHFFFAOYSA-N -1 1 333.653 4.111 20 5 EIBDMM CCSc1ccc(Cl)cc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628705 1031428903 /nfs/dbraw/zinc/42/89/03/1031428903.db2.gz JTXZGHVZVHEIRC-UHFFFAOYSA-N -1 1 337.788 4.008 20 5 EIBDMM CSc1c(F)cccc1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001130857584 1047418052 /nfs/dbraw/zinc/41/80/52/1047418052.db2.gz GGQFFMRCQGKAHI-UHFFFAOYSA-N -1 1 340.763 4.362 20 5 EIBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cccc([O-])c1Cl ZINC000816482538 1048812147 /nfs/dbraw/zinc/81/21/47/1048812147.db2.gz JLYWHEUSAOONML-UHFFFAOYSA-N -1 1 341.194 4.239 20 5 EIBDMM CC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC001201229811 1054723911 /nfs/dbraw/zinc/72/39/11/1054723911.db2.gz TXWKHLWJPWKORJ-UHFFFAOYSA-N -1 1 340.257 4.265 20 5 EIBDMM O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000467048576 1032866985 /nfs/dbraw/zinc/86/69/85/1032866985.db2.gz UFBSEEZLLAFFQT-UHFFFAOYSA-N -1 1 349.774 4.008 20 5 EIBDMM O=C([N-]c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000073849924 1027894209 /nfs/dbraw/zinc/89/42/09/1027894209.db2.gz BDYSOZMVTLTFSD-UHFFFAOYSA-N -1 1 346.211 4.144 20 5 EIBDMM Cc1ccc(Oc2ccccc2)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000440623137 1028220288 /nfs/dbraw/zinc/22/02/88/1028220288.db2.gz IYVWIPVPMXNSGA-UHFFFAOYSA-N -1 1 337.335 4.276 20 5 EIBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000583219322 1028275139 /nfs/dbraw/zinc/27/51/39/1028275139.db2.gz XRLKJRVLINGDBZ-KRWDZBQOSA-N -1 1 332.787 4.195 20 5 EIBDMM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2c([O-])cccc21 ZINC000186275183 1029457109 /nfs/dbraw/zinc/45/71/09/1029457109.db2.gz ZPRXZTSJXRGUSR-SNVBAGLBSA-N -1 1 346.770 4.108 20 5 EIBDMM O=[N+]([O-])c1ccc2sc(/C=C/c3c(F)ccc([O-])c3F)nc2c1 ZINC000480035591 1040869458 /nfs/dbraw/zinc/86/94/58/1040869458.db2.gz CVHWRCSQBQTTIY-QHHAFSJGSA-N -1 1 334.303 4.359 20 5 EIBDMM O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000487661286 1042782572 /nfs/dbraw/zinc/78/25/72/1042782572.db2.gz VCTQEXKGISIMHV-UHFFFAOYSA-N -1 1 343.289 4.120 20 5 EIBDMM O=C([N-]c1cc(Cl)cc(F)c1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000441608957 1042918080 /nfs/dbraw/zinc/91/80/80/1042918080.db2.gz HWHFWELFJGZDMO-UHFFFAOYSA-N -1 1 347.104 4.432 20 5 EIBDMM O=S(=O)([N-]c1ccc2cc3ccccc3cc2c1)c1ccncc1 ZINC001190896188 1051301472 /nfs/dbraw/zinc/30/14/72/1051301472.db2.gz FMUUKQKCNGARGB-UHFFFAOYSA-N -1 1 334.400 4.189 20 5 EIBDMM Cc1cc(Cl)cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1[O-] ZINC000175840244 1022447743 /nfs/dbraw/zinc/44/77/43/1022447743.db2.gz WAWRGEZTYKLFGU-UHFFFAOYSA-N -1 1 341.150 4.168 20 5 EIBDMM CCC(C)(C)OCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000488838115 1037778991 /nfs/dbraw/zinc/77/89/91/1037778991.db2.gz DKUGEHRHVNNNJQ-UHFFFAOYSA-N -1 1 345.399 4.189 20 5 EIBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000522018082 1044162047 /nfs/dbraw/zinc/16/20/47/1044162047.db2.gz IPKORHRTHSPGGR-UHFFFAOYSA-N -1 1 345.742 4.016 20 5 EIBDMM Cc1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1[N+](=O)[O-] ZINC000791289866 1045721567 /nfs/dbraw/zinc/72/15/67/1045721567.db2.gz KCDYHLBHDUMOOE-UHFFFAOYSA-N -1 1 328.349 4.076 20 5 EIBDMM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000917610843 1047036362 /nfs/dbraw/zinc/03/63/62/1047036362.db2.gz DVJLNCALPQNKQF-UHFFFAOYSA-N -1 1 347.327 4.011 20 5 EIBDMM O=C(Nc1ccccc1Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000537493021 1047612248 /nfs/dbraw/zinc/61/22/48/1047612248.db2.gz NYTFGUBCISMFJT-UHFFFAOYSA-N -1 1 340.314 4.058 20 5 EIBDMM O=[N+]([O-])c1ccc(Nc2cc(Br)cc(Cl)c2[O-])cc1 ZINC001174479606 1051018290 /nfs/dbraw/zinc/01/82/90/1051018290.db2.gz KBYRFOFEEKUUII-UHFFFAOYSA-N -1 1 343.564 4.460 20 5 EIBDMM Nc1ccc2cc3ccc(Nc4ccc(CC(=O)[O-])cc4)cc3nc2c1 ZINC001174952883 1051271228 /nfs/dbraw/zinc/27/12/28/1051271228.db2.gz COIBURKXDRYMGJ-UHFFFAOYSA-N -1 1 343.386 4.341 20 5 EIBDMM Nc1ccc2cc3ccc(Nc4csc(C(=O)[O-])c4)cc3nc2c1 ZINC001176439009 1052054842 /nfs/dbraw/zinc/05/48/42/1052054842.db2.gz KEMRNMYPTSHGHW-UHFFFAOYSA-N -1 1 335.388 4.474 20 5 EIBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc(Oc2ccccc2)o1 ZINC000177571146 1021386970 /nfs/dbraw/zinc/38/69/70/1021386970.db2.gz IBGNUDDXGYDIQV-UHFFFAOYSA-N -1 1 342.282 4.372 20 5 EIBDMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000014253947 1025861990 /nfs/dbraw/zinc/86/19/90/1025861990.db2.gz BLWSHZJNFIPLBI-GFCCVEGCSA-N -1 1 348.424 4.218 20 5 EIBDMM O=[N+]([O-])c1cccc2nc(/C=C\c3c(F)ccc([O-])c3F)ccc21 ZINC000480037551 1040880211 /nfs/dbraw/zinc/88/02/11/1040880211.db2.gz QOYKBWOIBYFTGB-XQRVVYSFSA-N -1 1 328.274 4.297 20 5 EIBDMM C[C@H]1CC[C@H](c2ccccc2)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001170150976 1045715138 /nfs/dbraw/zinc/71/51/38/1045715138.db2.gz UGTHLBKUBLEBJP-KBXCAEBGSA-N -1 1 326.396 4.274 20 5 EIBDMM O=[N+]([O-])c1ccc2oc(/C(Cl)=C/c3ccc([O-])c(F)c3)nc2c1 ZINC000179329877 1046324106 /nfs/dbraw/zinc/32/41/06/1046324106.db2.gz QZTVJKPPRFRNPY-YHYXMXQVSA-N -1 1 334.690 4.318 20 5 EIBDMM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1c(F)c(F)cc(F)c1F ZINC000813243999 1049725486 /nfs/dbraw/zinc/72/54/86/1049725486.db2.gz IZEWSHLEDZEBHA-UHFFFAOYSA-N -1 1 348.639 4.057 20 5 EIBDMM O=[N+]([O-])c1ccc(/C(=C\c2cc([O-])cc(F)c2)c2ccncc2)cc1 ZINC000471453659 1021051606 /nfs/dbraw/zinc/05/16/06/1021051606.db2.gz YMSDAXGCKKZNIG-YBFXNURJSA-N -1 1 336.322 4.423 20 5 EIBDMM O=[N+]([O-])c1cccc2ccc(/C=C/c3c(F)ccc([O-])c3F)nc21 ZINC000480012476 1026939165 /nfs/dbraw/zinc/93/91/65/1026939165.db2.gz AJHLDMUUKZXFKV-VOTSOKGWSA-N -1 1 328.274 4.297 20 5 EIBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190975090 1030191851 /nfs/dbraw/zinc/19/18/51/1030191851.db2.gz APWSMQLXLNZDRC-UHFFFAOYSA-N -1 1 335.747 4.215 20 5 EIBDMM Cc1ccc(Oc2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000604039299 1037155959 /nfs/dbraw/zinc/15/59/59/1037155959.db2.gz FLAYYDGZVGBIRH-UHFFFAOYSA-N -1 1 337.335 4.276 20 5 EIBDMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000152695897 1039780567 /nfs/dbraw/zinc/78/05/67/1039780567.db2.gz RCTFPQXGGPVOTH-UHFFFAOYSA-N -1 1 348.424 4.136 20 5 EIBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000522015412 1044158980 /nfs/dbraw/zinc/15/89/80/1044158980.db2.gz LZCXSSIHCJSNPO-UHFFFAOYSA-N -1 1 345.742 4.016 20 5 EIBDMM CC[C@H](C)Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c1 ZINC000499753195 1044499094 /nfs/dbraw/zinc/49/90/94/1044499094.db2.gz QTAGJKGSKCUGGT-NSHDSACASA-N -1 1 333.413 4.374 20 5 EIBDMM Cc1ccc(-c2nc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cs2)o1 ZINC000071971422 1051890357 /nfs/dbraw/zinc/89/03/57/1051890357.db2.gz LYGJWYJVYQSSSW-UHFFFAOYSA-N -1 1 347.327 4.011 20 5 EIBDMM COc1ccc(Nc2cc(Cl)c(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC001176363546 1052039578 /nfs/dbraw/zinc/03/95/78/1052039578.db2.gz RFCDEFSOKPJNQX-UHFFFAOYSA-N -1 1 329.139 4.359 20 5 EIBDMM O=C([O-])c1cc(Nc2cc(Cl)cc(Cl)c2O)cc([N+](=O)[O-])c1 ZINC001176679790 1052163374 /nfs/dbraw/zinc/16/33/74/1052163374.db2.gz NOJWXPWXFHLNKH-UHFFFAOYSA-N -1 1 343.122 4.049 20 5 EIBDMM Nc1ccc2cc3ccc(Nc4ccc(C(=O)[O-])cc4)cc3nc2c1 ZINC001176715573 1052187985 /nfs/dbraw/zinc/18/79/85/1052187985.db2.gz QIDVRTNTXYYMNH-UHFFFAOYSA-N -1 1 329.359 4.412 20 5 EIBDMM O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000509789657 1033880287 /nfs/dbraw/zinc/88/02/87/1033880287.db2.gz VPYSZRBSCUFQSS-UHFFFAOYSA-N -1 1 349.774 4.150 20 5 EIBDMM CC(C)c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c([O-])c1 ZINC000436893469 1041534224 /nfs/dbraw/zinc/53/42/24/1041534224.db2.gz PCUIQDQGFQMHLI-UHFFFAOYSA-N -1 1 325.324 4.141 20 5 EIBDMM Cc1c([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000762593301 1045304914 /nfs/dbraw/zinc/30/49/14/1045304914.db2.gz DTZDOBBOZLWIOG-UHFFFAOYSA-N -1 1 348.424 4.002 20 5 EIBDMM O=C([N-]c1c(F)cccc1F)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812824413 1049586620 /nfs/dbraw/zinc/58/66/20/1049586620.db2.gz NNBKDJALXWGJFR-UHFFFAOYSA-N -1 1 347.104 4.432 20 5 EIBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001134027689 1049856938 /nfs/dbraw/zinc/85/69/38/1049856938.db2.gz IXRLMKYGZYBZON-UHFFFAOYSA-N -1 1 329.312 4.013 20 5 EIBDMM O=[N+]([O-])c1ccccc1Nc1c([O-])c(Br)ccc1Cl ZINC001206187594 1050277092 /nfs/dbraw/zinc/27/70/92/1050277092.db2.gz IDHSPMUHBSVDBJ-UHFFFAOYSA-N -1 1 343.564 4.460 20 5 EIBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000549536831 1024002705 /nfs/dbraw/zinc/00/27/05/1024002705.db2.gz ZYGQUWSLRXAGHS-LJQANCHMSA-N -1 1 344.386 4.461 20 5 EIBDMM O=C1CCCc2cc(-c3nc4cc5ccccc5cc4c(=O)[n-]3)cnc21 ZINC000432502431 1026208642 /nfs/dbraw/zinc/20/86/42/1026208642.db2.gz SVLQDQQUBGEGQM-UHFFFAOYSA-N -1 1 341.370 4.070 20 5 EIBDMM O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000491244104 1040340979 /nfs/dbraw/zinc/34/09/79/1040340979.db2.gz RSDMELARSLKFTF-UHFFFAOYSA-N -1 1 341.298 4.107 20 5 EIBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)cc1 ZINC000393063183 1045096064 /nfs/dbraw/zinc/09/60/64/1045096064.db2.gz UNEMTXRJMIVXBV-UHFFFAOYSA-N -1 1 333.303 4.171 20 5 EIBDMM O=[N+]([O-])c1ccc(F)c(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001175737059 1051750299 /nfs/dbraw/zinc/75/02/99/1051750299.db2.gz IZPAPHQKCZAZPR-UHFFFAOYSA-N -1 1 345.099 4.085 20 5 EIBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1coc(C2CCCCC2)n1 ZINC000776742036 1053815940 /nfs/dbraw/zinc/81/59/40/1053815940.db2.gz BYHVASGUORSNOO-UHFFFAOYSA-N -1 1 333.319 4.022 20 5 EIBDMM O=S(=O)(Cc1ccccn1)[N-]c1c2ccccc2cc2ccccc21 ZINC001197830048 1054000467 /nfs/dbraw/zinc/00/04/67/1054000467.db2.gz SOOCQVQKXVZHDS-UHFFFAOYSA-N -1 1 348.427 4.330 20 5 EIBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1nc(C(C)(C)C)cs1 ZINC000875675673 1054811074 /nfs/dbraw/zinc/81/10/74/1054811074.db2.gz WVEXOBPITOFUKN-UHFFFAOYSA-N -1 1 337.376 4.049 20 5 EIBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000519202672 1025597544 /nfs/dbraw/zinc/59/75/44/1025597544.db2.gz JRCUJKZXULELHG-UHFFFAOYSA-N -1 1 348.424 4.081 20 5 EIBDMM CC(C)c1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC000426692565 1026493707 /nfs/dbraw/zinc/49/37/07/1026493707.db2.gz TXQSUXXMXCXSAL-OAHLLOKOSA-N -1 1 348.424 4.085 20 5 EIBDMM CC[C@H](C)n1ncc([N-]c2ncc(Cl)cc2[N+](=O)[O-])c1C1CC1 ZINC000536501361 1027803195 /nfs/dbraw/zinc/80/31/95/1027803195.db2.gz HCGYBCKFIPBDCR-VIFPVBQESA-N -1 1 335.795 4.432 20 5 EIBDMM C/C(=C/c1nc(-c2ccc([O-])c(F)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445484543 1028634051 /nfs/dbraw/zinc/63/40/51/1028634051.db2.gz WKCMPPINBDPPNF-NTMALXAHSA-N -1 1 341.298 4.050 20 5 EIBDMM CSc1c(F)cccc1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001130858356 1047417451 /nfs/dbraw/zinc/41/74/51/1047417451.db2.gz WAORAHOWRWIHGT-UHFFFAOYSA-N -1 1 346.339 4.454 20 5 EIBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000091054645 1055510250 /nfs/dbraw/zinc/51/02/50/1055510250.db2.gz MOLCSSMJMUDRLV-UHFFFAOYSA-N -1 1 348.424 4.136 20 5 EIBDMM C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445458819 1028613775 /nfs/dbraw/zinc/61/37/75/1028613775.db2.gz ZVRUDUOBDNYHDH-NTMALXAHSA-N -1 1 341.298 4.050 20 5 EIBDMM O=C(Nc1ccccc1Sc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604078104 1037184163 /nfs/dbraw/zinc/18/41/63/1037184163.db2.gz JMKIYPLWQVWKTF-UHFFFAOYSA-N -1 1 339.376 4.326 20 5 EIBDMM O=C(Nc1ccccc1SC1CCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604095447 1037205173 /nfs/dbraw/zinc/20/51/73/1037205173.db2.gz UKVQQOOPJQSBNO-UHFFFAOYSA-N -1 1 331.397 4.210 20 5 EIBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000549928239 1042491782 /nfs/dbraw/zinc/49/17/82/1042491782.db2.gz KZIBETDKHFMAIS-LJQANCHMSA-N -1 1 344.386 4.461 20 5 EIBDMM Cc1ccc(N(Cc2cccs2)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000732116631 1043876222 /nfs/dbraw/zinc/87/62/22/1043876222.db2.gz XZIYYYUQDGHSSU-UHFFFAOYSA-N -1 1 341.392 4.140 20 5 EIBDMM CSc1cc(Cl)ccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC001131051774 1047507629 /nfs/dbraw/zinc/50/76/29/1047507629.db2.gz NYURRHFCFIIJEQ-UHFFFAOYSA-N -1 1 328.802 4.284 20 5 EIBDMM Cc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000609448708 1049069461 /nfs/dbraw/zinc/06/94/61/1049069461.db2.gz ZUBUMIIPABUHLP-UHFFFAOYSA-N -1 1 337.335 4.276 20 5 EIBDMM Cc1cc(Cl)cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1[O-] ZINC000179805665 1049767029 /nfs/dbraw/zinc/76/70/29/1049767029.db2.gz HBYFTIHSJRGULR-UHFFFAOYSA-N -1 1 341.150 4.168 20 5 EIBDMM Cc1c([N-]c2ncc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1F ZINC001185857208 1050179640 /nfs/dbraw/zinc/17/96/40/1050179640.db2.gz JMIGVXLQFYRLET-UHFFFAOYSA-N -1 1 347.737 4.020 20 5 EIBDMM O=C([O-])c1ccc(Nc2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC001174505201 1051037829 /nfs/dbraw/zinc/03/78/29/1051037829.db2.gz UCFUTIVNIODXCK-UHFFFAOYSA-N -1 1 343.122 4.049 20 5 EIBDMM O=C(c1ccccc1)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222583 1054732620 /nfs/dbraw/zinc/73/26/20/1054732620.db2.gz PFNNAZBFAVZFST-UHFFFAOYSA-N -1 1 334.331 4.275 20 5 EIBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000549536830 1024004084 /nfs/dbraw/zinc/00/40/84/1024004084.db2.gz ZYGQUWSLRXAGHS-IBGZPJMESA-N -1 1 344.386 4.461 20 5 EIBDMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000014253950 1025862610 /nfs/dbraw/zinc/86/26/10/1025862610.db2.gz BLWSHZJNFIPLBI-LBPRGKRZSA-N -1 1 348.424 4.218 20 5 EIBDMM Cc1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000486435444 1036700181 /nfs/dbraw/zinc/70/01/81/1036700181.db2.gz KEWCKKHBILNGCA-UHFFFAOYSA-N -1 1 331.331 4.372 20 5 EIBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)[n-]1 ZINC000504784674 1038746468 /nfs/dbraw/zinc/74/64/68/1038746468.db2.gz IJMJKWVUFDCLTL-UHFFFAOYSA-N -1 1 332.319 4.307 20 5 EIBDMM Cc1ccccc1[C@H](CC(C)C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001168724038 1044589023 /nfs/dbraw/zinc/58/90/23/1044589023.db2.gz QVOCFBYWDJNKBS-SFHVURJKSA-N -1 1 328.412 4.486 20 5 EIBDMM Nc1ccccc1S(=O)(=O)[N-]c1ccc2cc3ccccc3cc2c1 ZINC001193928672 1052022369 /nfs/dbraw/zinc/02/23/69/1052022369.db2.gz JGPHKEZCONSJML-UHFFFAOYSA-N -1 1 348.427 4.376 20 5 EIBDMM O=C([O-])c1cc(Nc2ccc(Cl)c(Cl)c2O)cc([N+](=O)[O-])c1 ZINC001176679509 1052163551 /nfs/dbraw/zinc/16/35/51/1052163551.db2.gz IBEANFZVOMLUKL-UHFFFAOYSA-N -1 1 343.122 4.049 20 5 EIBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CCc2cccc3cccc1c32 ZINC001197988302 1054050757 /nfs/dbraw/zinc/05/07/57/1054050757.db2.gz HWWCZKDKAFWZPI-SFHVURJKSA-N -1 1 334.375 4.231 20 5 EIBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCc2cccc3cccc1c32 ZINC001197988301 1054051405 /nfs/dbraw/zinc/05/14/05/1054051405.db2.gz HWWCZKDKAFWZPI-GOSISDBHSA-N -1 1 334.375 4.231 20 5 EIBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000549508157 1023814728 /nfs/dbraw/zinc/81/47/28/1023814728.db2.gz KMXUALMOKZTQGU-FQEVSTJZSA-N -1 1 348.402 4.374 20 5 EIBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc2ccccc2cc1[O-] ZINC000610664686 1024439969 /nfs/dbraw/zinc/43/99/69/1024439969.db2.gz QUOBLBWFKLEMJE-UHFFFAOYSA-N -1 1 336.347 4.323 20 5 EIBDMM C/C(=C\c1nc(-c2ccc([O-])c(F)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445484540 1028633518 /nfs/dbraw/zinc/63/35/18/1028633518.db2.gz WKCMPPINBDPPNF-CSKARUKUSA-N -1 1 341.298 4.050 20 5 EIBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000583781139 1029167955 /nfs/dbraw/zinc/16/79/55/1029167955.db2.gz SCGDXFSKHJOVKY-MRVPVSSYSA-N -1 1 341.339 4.190 20 5 EIBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000477391571 1040454929 /nfs/dbraw/zinc/45/49/29/1040454929.db2.gz IKCXIZGVAQTTAO-UHFFFAOYSA-N -1 1 341.150 4.168 20 5 EIBDMM Cc1cccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)c1 ZINC000515531812 1040834880 /nfs/dbraw/zinc/83/48/80/1040834880.db2.gz BRJCMBCPXFGCBF-UHFFFAOYSA-N -1 1 337.335 4.276 20 5 EIBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc(F)c(Cl)c1F ZINC000760493785 1047411049 /nfs/dbraw/zinc/41/10/49/1047411049.db2.gz PXTRHCSPAFWPJH-UHFFFAOYSA-N -1 1 348.639 4.057 20 5 EIBDMM O=C1CCc2ccc(-c3nc4cc5ccccc5cc4c(=O)[n-]3)cc21 ZINC000580924927 1022703435 /nfs/dbraw/zinc/70/34/35/1022703435.db2.gz LTRQNVRBIKAZMJ-UHFFFAOYSA-N -1 1 326.355 4.285 20 5 EIBDMM CC[C@H]1CCc2c(sc3nc(-c4ccc([N+](=O)[O-])o4)[n-]c(=O)c23)C1 ZINC000416415635 1022833475 /nfs/dbraw/zinc/83/34/75/1022833475.db2.gz UICXYKIGAHERJL-QMMMGPOBSA-N -1 1 345.380 4.080 20 5 EIBDMM C/C(=C/c1nc(-c2ccc([O-])cc2F)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445457801 1028613808 /nfs/dbraw/zinc/61/38/08/1028613808.db2.gz PDBJFKAXMSAXFU-NTMALXAHSA-N -1 1 341.298 4.050 20 5 EIBDMM CC(C)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c([O-])c1 ZINC000445476821 1028647663 /nfs/dbraw/zinc/64/76/63/1028647663.db2.gz IQKIIMOJSKXKQD-UHFFFAOYSA-N -1 1 331.353 4.202 20 5 EIBDMM O=c1cc[n-]c(O[C@@H]2CCc3cc(Cl)c(Cl)cc32)c1[N+](=O)[O-] ZINC001225666043 1037283535 /nfs/dbraw/zinc/28/35/35/1037283535.db2.gz FTWWDSAVGNTYOH-GFCCVEGCSA-N -1 1 341.150 4.069 20 5 EIBDMM CCCC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000514617518 1040054994 /nfs/dbraw/zinc/05/49/94/1040054994.db2.gz LFBSORKXJJLKBF-SFHVURJKSA-N -1 1 344.411 4.330 20 5 EIBDMM CC(C)Sc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000609182909 1043090266 /nfs/dbraw/zinc/09/02/66/1043090266.db2.gz DJOVMWJDTCPESG-UHFFFAOYSA-N -1 1 339.804 4.329 20 5 EIBDMM CC[C@H](C)n1ncc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C1CC1 ZINC000762570674 1045294107 /nfs/dbraw/zinc/29/41/07/1045294107.db2.gz UQWRIJNUNCCFJV-JTQLQIEISA-N -1 1 345.359 4.292 20 5 EIBDMM CSc1c(F)cccc1[N-]C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001131058908 1047503214 /nfs/dbraw/zinc/50/32/14/1047503214.db2.gz FVCLBEBOOMTYMZ-UHFFFAOYSA-N -1 1 338.335 4.156 20 5 EIBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(F)c(F)cc1Cl ZINC000825482634 1048109935 /nfs/dbraw/zinc/10/99/35/1048109935.db2.gz GHNHBDRMSYVPTH-UHFFFAOYSA-N -1 1 348.639 4.057 20 5 EIBDMM COc1ccc(Nc2cccc(C(F)(F)F)c2[O-])cc1[N+](=O)[O-] ZINC001176365617 1052042158 /nfs/dbraw/zinc/04/21/58/1052042158.db2.gz DLGWFXQLRYMNOV-UHFFFAOYSA-N -1 1 328.246 4.071 20 5 EIBDMM O=[N+]([O-])c1cccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000327343069 1056665119 /nfs/dbraw/zinc/66/51/19/1056665119.db2.gz SISFGVXGNZXUEA-UHFFFAOYSA-N -1 1 333.303 4.171 20 5 EIBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471576264 1022019318 /nfs/dbraw/zinc/01/93/18/1022019318.db2.gz ASEDXCGZGBEXHM-UHFFFAOYSA-N -1 1 336.347 4.323 20 5 EIBDMM Cc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000014253942 1025863218 /nfs/dbraw/zinc/86/32/18/1025863218.db2.gz LXGAWZZRVJMQGC-UHFFFAOYSA-N -1 1 348.424 4.002 20 5 EIBDMM CCC(=O)c1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cc1 ZINC000432518224 1026283332 /nfs/dbraw/zinc/28/33/32/1026283332.db2.gz JOPPRFMPPNKHLL-UHFFFAOYSA-N -1 1 328.371 4.336 20 5 EIBDMM C/C(=C\c1nc(-c2ccc([O-])cc2F)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445457800 1028612921 /nfs/dbraw/zinc/61/29/21/1028612921.db2.gz PDBJFKAXMSAXFU-CSKARUKUSA-N -1 1 341.298 4.050 20 5 EIBDMM Cc1c(CSC(C)C)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000461006753 1041137034 /nfs/dbraw/zinc/13/70/34/1041137034.db2.gz LJBRTYXDOMXPGR-UHFFFAOYSA-N -1 1 333.413 4.125 20 5 EIBDMM Cc1ccccc1[C@@H](CC(C)C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001168724037 1044589868 /nfs/dbraw/zinc/58/98/68/1044589868.db2.gz QVOCFBYWDJNKBS-GOSISDBHSA-N -1 1 328.412 4.486 20 5 EIBDMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809917186 1048554995 /nfs/dbraw/zinc/55/49/95/1048554995.db2.gz GZEHTYFXWZTIAM-UHFFFAOYSA-N -1 1 342.138 4.251 20 5 EIBDMM COc1ccc(Nc2c(Cl)ccc([O-])c2Cl)cc1[N+](=O)[O-] ZINC001176362347 1052038830 /nfs/dbraw/zinc/03/88/30/1052038830.db2.gz DOYLMVLOKXOINV-UHFFFAOYSA-N -1 1 329.139 4.359 20 5 EIBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc2cccc(F)c2o1 ZINC000741895060 1058454241 /nfs/dbraw/zinc/45/42/41/1058454241.db2.gz OYKYOESTPFGWIN-UHFFFAOYSA-N -1 1 336.225 4.011 20 5 EIBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Br ZINC001229396724 1032177179 /nfs/dbraw/zinc/17/71/79/1032177179.db2.gz XKMUXGQHPQVKSD-VIFPVBQESA-N -1 1 338.157 4.203 20 5 EIBDMM O=[N+]([O-])c1ccc2nc(/C=C/c3c(F)ccc([O-])c3F)ccc2c1 ZINC000480021134 1026941837 /nfs/dbraw/zinc/94/18/37/1026941837.db2.gz NPQZHMQYNQEJON-HWKANZROSA-N -1 1 328.274 4.297 20 5 EIBDMM O=[N+]([O-])c1ccccc1/C=C/c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445448774 1028538439 /nfs/dbraw/zinc/53/84/39/1028538439.db2.gz SUENTWUVMJPGFY-VMPITWQZSA-N -1 1 343.726 4.174 20 5 EIBDMM C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445458818 1028613235 /nfs/dbraw/zinc/61/32/35/1028613235.db2.gz ZVRUDUOBDNYHDH-CSKARUKUSA-N -1 1 341.298 4.050 20 5 EIBDMM CC(C)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000784147433 1035850324 /nfs/dbraw/zinc/85/03/24/1035850324.db2.gz XDPUFXNEZCWFCT-UHFFFAOYSA-N -1 1 334.759 4.330 20 5 EIBDMM CC[C@@H](C)n1ncc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C1CC1 ZINC000762570679 1045294164 /nfs/dbraw/zinc/29/41/64/1045294164.db2.gz UQWRIJNUNCCFJV-SNVBAGLBSA-N -1 1 345.359 4.292 20 5 EIBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000772428312 1046636477 /nfs/dbraw/zinc/63/64/77/1046636477.db2.gz WWUHLIYXKWBNLC-UHFFFAOYSA-N -1 1 341.150 4.168 20 5 EIBDMM O=C([O-])c1ccc(Nc2cc(Cl)c(O)cc2Cl)cc1[N+](=O)[O-] ZINC001174505460 1051039077 /nfs/dbraw/zinc/03/90/77/1051039077.db2.gz ZAHJIAIROPKTHE-UHFFFAOYSA-N -1 1 343.122 4.049 20 5 EIBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc2cc(F)ccc2o1 ZINC000117590055 1054828202 /nfs/dbraw/zinc/82/82/02/1054828202.db2.gz DZBGBPKGGCCRIN-UHFFFAOYSA-N -1 1 336.225 4.011 20 5 EIBDMM O=[N+]([O-])c1cc(Nc2cc(-c3cccc(F)c3)ccn2)ccc1[O-] ZINC001210393059 1021070044 /nfs/dbraw/zinc/07/00/44/1021070044.db2.gz VHZHVYHIUUACAV-UHFFFAOYSA-N -1 1 325.299 4.245 20 5 EIBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000014257031 1025868941 /nfs/dbraw/zinc/86/89/41/1025868941.db2.gz PMQVWHZNLKTCOI-UHFFFAOYSA-N -1 1 348.424 4.002 20 5 EIBDMM O=[N+]([O-])c1cccc(CN(Cc2cccc([O-])c2Cl)C2CC2)c1 ZINC000507241842 1026715240 /nfs/dbraw/zinc/71/52/40/1026715240.db2.gz BICWLVTVUVWGAE-UHFFFAOYSA-N -1 1 332.787 4.118 20 5 EIBDMM CC[C@@H](C)n1ncc([N-]c2ncc(Cl)cc2[N+](=O)[O-])c1C1CC1 ZINC000536501343 1027803572 /nfs/dbraw/zinc/80/35/72/1027803572.db2.gz HCGYBCKFIPBDCR-SECBINFHSA-N -1 1 335.795 4.432 20 5 EIBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(F)c(Cl)cc1F ZINC000153190796 1044269440 /nfs/dbraw/zinc/26/94/40/1044269440.db2.gz VHDSICCHLZTVNM-UHFFFAOYSA-N -1 1 348.639 4.057 20 5 EIBDMM CC(=O)c1ccc(C(F)(F)F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224636 1054732310 /nfs/dbraw/zinc/73/23/10/1054732310.db2.gz OUZAJQIWKRTTIL-UHFFFAOYSA-N -1 1 340.257 4.265 20 5 EIBDMM CC(C)c1ccc(C(C)(C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000610786863 1024850781 /nfs/dbraw/zinc/85/07/81/1024850781.db2.gz GTYCYEMRCRXTGX-UHFFFAOYSA-N -1 1 328.412 4.449 20 5 EIBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171881394 1043692518 /nfs/dbraw/zinc/69/25/18/1043692518.db2.gz NBGNMLVMAXJOGW-UHFFFAOYSA-N -1 1 348.767 4.421 20 5 EIBDMM CC[C@@H](C)Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c1 ZINC000499753148 1044490712 /nfs/dbraw/zinc/49/07/12/1044490712.db2.gz QTAGJKGSKCUGGT-LLVKDONJSA-N -1 1 333.413 4.374 20 5 EIBDMM CC[C@@H](C)CON=c1cc(C(F)(F)C(F)(F)F)[n-]cc1[N+](=O)[O-] ZINC000813622064 1049803944 /nfs/dbraw/zinc/80/39/44/1049803944.db2.gz KDUYKIWSMFCHAF-SSDOTTSWSA-N -1 1 343.252 4.034 20 5 EIBDMM Cc1nn(-c2ccccc2)cc1[N-]c1nc2ccccc2cc1[N+](=O)[O-] ZINC001186071096 1050222739 /nfs/dbraw/zinc/22/27/39/1050222739.db2.gz UXNFBECCPIKKGP-UHFFFAOYSA-N -1 1 345.362 4.381 20 5 EIBDMM O=C([O-])c1ccc(Nc2ccc(Cl)c(Cl)c2O)cc1[N+](=O)[O-] ZINC001174505051 1051036558 /nfs/dbraw/zinc/03/65/58/1051036558.db2.gz MGQDFGFLXJZATH-UHFFFAOYSA-N -1 1 343.122 4.049 20 5 EIBDMM Cc1ccc(-c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)o1 ZINC000477579005 1040616087 /nfs/dbraw/zinc/61/60/87/1040616087.db2.gz MSHGGWCBGOWROU-UHFFFAOYSA-N -1 1 325.324 4.052 20 5 EIBDMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000007053301 1040889622 /nfs/dbraw/zinc/88/96/22/1040889622.db2.gz UUOXSVISNLDFEZ-GFCCVEGCSA-N -1 1 348.424 4.218 20 5 EIBDMM CCn1c2ccccc2c2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC000515779976 1041123434 /nfs/dbraw/zinc/12/34/34/1041123434.db2.gz NZKBUKZDEZHNQW-UHFFFAOYSA-N -1 1 348.362 4.303 20 5 EIBDMM CCSc1cccc(F)c1[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000484940385 1041533587 /nfs/dbraw/zinc/53/35/87/1041533587.db2.gz USFZXQFDMRRKDL-UHFFFAOYSA-N -1 1 334.372 4.407 20 5 EIBDMM O=C([N-]c1c(F)cc(F)cc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000443919150 1042631581 /nfs/dbraw/zinc/63/15/81/1042631581.db2.gz TWVKLWOTLBBIGR-UHFFFAOYSA-N -1 1 336.225 4.011 20 5 EIBDMM O=[N+]([O-])c1cnc(NCc2ccc([O-])c(Cl)c2)c2ccccc21 ZINC001187509885 1050551042 /nfs/dbraw/zinc/55/10/42/1050551042.db2.gz NGVAVFCMVDIPPT-UHFFFAOYSA-N -1 1 329.743 4.114 20 5 EIBDMM O=c1[n-]c(-c2nnc(-c3ccccc3)o2)nc2cc3ccccc3cc21 ZINC000504503381 1038389079 /nfs/dbraw/zinc/38/90/79/1038389079.db2.gz QZFXWPYRZKBQAO-UHFFFAOYSA-N -1 1 340.342 4.206 20 5 EIBDMM O=[N+]([O-])c1cccc2nc(/C=C\c3cc(F)c([O-])c(F)c3)ccc21 ZINC000436776151 1041470955 /nfs/dbraw/zinc/47/09/55/1041470955.db2.gz ZRHALRSUKWTIEU-PLNGDYQASA-N -1 1 328.274 4.297 20 5 EIBDMM CC(=O)c1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)c(F)c1 ZINC000537409800 1047200951 /nfs/dbraw/zinc/20/09/51/1047200951.db2.gz AIOUGNCGQGTKEM-UHFFFAOYSA-N -1 1 332.334 4.497 20 5 EIBDMM O=C([O-])c1cc(Nc2cc(Cl)c(O)cc2Cl)cc([N+](=O)[O-])c1 ZINC001176678928 1052161449 /nfs/dbraw/zinc/16/14/49/1052161449.db2.gz CLVAFSBEZYVOKS-UHFFFAOYSA-N -1 1 343.122 4.049 20 5 EIBDMM Cc1ccc(C)c(C2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)c1 ZINC001198467930 1054154226 /nfs/dbraw/zinc/15/42/26/1054154226.db2.gz QPPXGPMCJZIIAR-UHFFFAOYSA-N -1 1 340.423 4.297 20 5 EIBDMM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000582474751 1021948325 /nfs/dbraw/zinc/94/83/25/1021948325.db2.gz BHJUZIYXWOKBKB-NSHDSACASA-N -1 1 328.393 4.366 20 5 EIBDMM O=C([N-]c1c(F)cc(F)cc1-c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000126745608 1027552107 /nfs/dbraw/zinc/55/21/07/1027552107.db2.gz SQMMNWJUGRADSH-UHFFFAOYSA-N -1 1 344.273 4.385 20 5 EIBDMM O=c1cc[n-]c(O[C@H]2CCc3cc(Cl)c(Cl)cc32)c1[N+](=O)[O-] ZINC001225666046 1037284178 /nfs/dbraw/zinc/28/41/78/1037284178.db2.gz FTWWDSAVGNTYOH-LBPRGKRZSA-N -1 1 341.150 4.069 20 5 EIBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184891077 1044023545 /nfs/dbraw/zinc/02/35/45/1044023545.db2.gz YOGUPDCNYXKHGJ-GFCCVEGCSA-N -1 1 348.786 4.161 20 5 EIBDMM C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001170150977 1045714610 /nfs/dbraw/zinc/71/46/10/1045714610.db2.gz UGTHLBKUBLEBJP-KDOFPFPSSA-N -1 1 326.396 4.274 20 5 EIBDMM O=C(Nc1cccc(Sc2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609382571 1049041690 /nfs/dbraw/zinc/04/16/90/1049041690.db2.gz WHRNIHNWBIOZEL-UHFFFAOYSA-N -1 1 339.376 4.326 20 5 EIBDMM Cn1ncc2ccc(-c3nc4cc5ccccc5cc4c(=O)[n-]3)cc21 ZINC000432515923 1026259338 /nfs/dbraw/zinc/25/93/38/1026259338.db2.gz AQYWRQLAOQXSRQ-UHFFFAOYSA-N -1 1 326.359 4.042 20 5 EIBDMM O=C(Nc1cccc(Cl)c1SC(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000725746404 1027000656 /nfs/dbraw/zinc/00/06/56/1027000656.db2.gz HFRVRMLLBCSIHT-UHFFFAOYSA-N -1 1 347.730 4.143 20 5 EIBDMM Cc1cccc(Oc2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000515765635 1041097318 /nfs/dbraw/zinc/09/73/18/1041097318.db2.gz JZNYAFZCQKMZRW-UHFFFAOYSA-N -1 1 337.335 4.276 20 5 EIBDMM O=[N+]([O-])c1ccccc1Cc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436995072 1041585080 /nfs/dbraw/zinc/58/50/80/1041585080.db2.gz GURRBUDHPGLKKT-UHFFFAOYSA-N -1 1 347.330 4.094 20 5 EIBDMM CC(C)(C)c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2s1 ZINC000464176525 1041888841 /nfs/dbraw/zinc/88/88/41/1041888841.db2.gz VIAUARYDMKZNFT-UHFFFAOYSA-N -1 1 344.396 4.082 20 5 EIBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)c1F ZINC000790919745 1045622437 /nfs/dbraw/zinc/62/24/37/1045622437.db2.gz BORBEYNKALOMGF-UHFFFAOYSA-N -1 1 344.676 4.226 20 5 EIBDMM CCCCCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000920887206 1048810580 /nfs/dbraw/zinc/81/05/80/1048810580.db2.gz FIHAVDSDIALPSL-UHFFFAOYSA-N -1 1 345.399 4.272 20 5 EIBDMM Nc1ccc2cc3ccc(Nc4ccc(C(=O)[O-])s4)cc3nc2c1 ZINC001174807150 1051199276 /nfs/dbraw/zinc/19/92/76/1051199276.db2.gz JWWJXJCMWIDDOJ-UHFFFAOYSA-N -1 1 335.388 4.474 20 5 EIBDMM Nc1ccc2n(-c3ccc(Cl)c([O-])c3)c3ccccc3cc-2c1=O ZINC001212594244 1060931436 /nfs/dbraw/zinc/93/14/36/1060931436.db2.gz VRHCMSUDELQSMW-UHFFFAOYSA-N -1 1 336.778 4.037 20 5 EIBDMM O=[N+]([O-])c1cccc(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445454924 1028607229 /nfs/dbraw/zinc/60/72/29/1028607229.db2.gz NESRGSRTJONOBW-QPJJXVBHSA-N -1 1 343.726 4.174 20 5 EIBDMM O=[N+]([O-])c1ccc(-c2nc(C(c3ccccc3)c3ccccc3)no2)[n-]1 ZINC000733730180 1044289355 /nfs/dbraw/zinc/28/93/55/1044289355.db2.gz CSYXFWKIWXBIMR-UHFFFAOYSA-N -1 1 346.346 4.153 20 5 EIBDMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000792780204 1046068453 /nfs/dbraw/zinc/06/84/53/1046068453.db2.gz GIMGKWCQXKNUON-UHFFFAOYSA-N -1 1 342.138 4.251 20 5 EIBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC001135312992 1048665880 /nfs/dbraw/zinc/66/58/80/1048665880.db2.gz VDMLCZVAGNRRJL-UHFFFAOYSA-N -1 1 336.347 4.323 20 5 EIBDMM O=[N+]([O-])c1ccc([O-])cc1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC001190503111 1051196431 /nfs/dbraw/zinc/19/64/31/1051196431.db2.gz LMYRBZROPBIXQO-UHFFFAOYSA-N -1 1 326.396 4.103 20 5 EIBDMM Nc1ccccc1S(=O)(=O)[N-]c1cc2ccccc2c2ccccc12 ZINC001175112014 1051355936 /nfs/dbraw/zinc/35/59/36/1051355936.db2.gz ITSNGYJABBEKPL-UHFFFAOYSA-N -1 1 348.427 4.376 20 5 EIBDMM Cc1ccc(CC2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC001192471867 1051729794 /nfs/dbraw/zinc/72/97/94/1051729794.db2.gz RBKFCAYNOCBHHQ-UHFFFAOYSA-N -1 1 340.423 4.064 20 5 EIBDMM CC(C)Sc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000610198834 1019237676 /nfs/dbraw/zinc/23/76/76/1019237676.db2.gz OLEOCLHQVKHJFF-UHFFFAOYSA-N -1 1 339.804 4.329 20 5 EIBDMM CC(C)c1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC000426692564 1026494432 /nfs/dbraw/zinc/49/44/32/1026494432.db2.gz TXQSUXXMXCXSAL-HNNXBMFYSA-N -1 1 348.424 4.085 20 5 EIBDMM O=[N+]([O-])c1cccc2nc(/C=C/c3c(F)ccc([O-])c3F)ccc21 ZINC000480037550 1026946307 /nfs/dbraw/zinc/94/63/07/1026946307.db2.gz QOYKBWOIBYFTGB-GQCTYLIASA-N -1 1 328.274 4.297 20 5 EIBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000906275355 1036181629 /nfs/dbraw/zinc/18/16/29/1036181629.db2.gz XJMVWAVDMWRGSX-UHFFFAOYSA-N -1 1 337.763 4.229 20 5 EIBDMM O=[N+]([O-])c1ccc(/C(=C\c2ccc([O-])c(F)c2)c2ccncc2)cc1 ZINC000436532608 1041318220 /nfs/dbraw/zinc/31/82/20/1041318220.db2.gz VYPPJKRBGCLJLG-GZTJUZNOSA-N -1 1 336.322 4.423 20 5 EIBDMM CC(C)c1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c([O-])c1 ZINC000436995058 1041584782 /nfs/dbraw/zinc/58/47/82/1041584782.db2.gz GSEXMEALPXWRRX-UHFFFAOYSA-N -1 1 339.351 4.065 20 5 EIBDMM Cc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)cc1 ZINC000520496762 1042861480 /nfs/dbraw/zinc/86/14/80/1042861480.db2.gz HDYURGHJEKEVMR-UHFFFAOYSA-N -1 1 337.335 4.276 20 5 EIBDMM CSc1cc(F)ccc1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001130087847 1046852665 /nfs/dbraw/zinc/85/26/65/1046852665.db2.gz GVCKGEAGMCYXMK-UHFFFAOYSA-N -1 1 340.763 4.362 20 5 EIBDMM O=[N+]([O-])c1ccccc1Nc1cc(Br)cc(Cl)c1[O-] ZINC001206189324 1050297772 /nfs/dbraw/zinc/29/77/72/1050297772.db2.gz ZMBBOEBYZOZHOH-UHFFFAOYSA-N -1 1 343.564 4.460 20 5 EIBDMM O=[N+]([O-])c1ccc(NCc2ccc([O-])c(Cl)c2)cc1OC(F)F ZINC001187510055 1050550673 /nfs/dbraw/zinc/55/06/73/1050550673.db2.gz UHPDYBMPXYQILQ-UHFFFAOYSA-N -1 1 344.701 4.167 20 5 EIBDMM CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC001196605874 1053706884 /nfs/dbraw/zinc/70/68/84/1053706884.db2.gz QVWBXYJHMCCPND-UHFFFAOYSA-N -1 1 336.391 4.479 20 5 EIBDMM CC[C@@H]1CCc2c(sc3nc(-c4ccc([N+](=O)[O-])o4)[n-]c(=O)c23)C1 ZINC000416415634 1022833102 /nfs/dbraw/zinc/83/31/02/1022833102.db2.gz UICXYKIGAHERJL-MRVPVSSYSA-N -1 1 345.380 4.080 20 5 EIBDMM CSc1ccc(Cl)cc1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000049305780 1024816463 /nfs/dbraw/zinc/81/64/63/1024816463.db2.gz GVHMPTZESUKLMJ-UHFFFAOYSA-N -1 1 328.802 4.284 20 5 EIBDMM C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481107 1028629942 /nfs/dbraw/zinc/62/99/42/1028629942.db2.gz OLAFQPPEUAHIEB-NTMALXAHSA-N -1 1 341.298 4.050 20 5 EIBDMM O=C(Nc1cccc(COC2CCCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000502327255 1036086604 /nfs/dbraw/zinc/08/66/04/1036086604.db2.gz VOZSSVMVYGFSGA-UHFFFAOYSA-N -1 1 343.383 4.025 20 5 EIBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000906278885 1036184612 /nfs/dbraw/zinc/18/46/12/1036184612.db2.gz PYRLUTINJSVCNG-UHFFFAOYSA-N -1 1 337.763 4.229 20 5 EIBDMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000007053303 1040889147 /nfs/dbraw/zinc/88/91/47/1040889147.db2.gz UUOXSVISNLDFEZ-LBPRGKRZSA-N -1 1 348.424 4.218 20 5 EIBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000439167968 1042527583 /nfs/dbraw/zinc/52/75/83/1042527583.db2.gz NJIUHFQSNXAAQF-UHFFFAOYSA-N -1 1 344.676 4.226 20 5 EIBDMM O=C(Nc1ccccc1-c1c(F)cccc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000428129672 1043348470 /nfs/dbraw/zinc/34/84/70/1043348470.db2.gz OZWHWSBCPYZGSQ-UHFFFAOYSA-N -1 1 343.289 4.120 20 5 EIBDMM Cc1csc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1Cl ZINC000792524987 1045905620 /nfs/dbraw/zinc/90/56/20/1045905620.db2.gz LEDGXLBKZDJOGT-UHFFFAOYSA-N -1 1 332.715 4.149 20 5 EIBDMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000476350462 1047469892 /nfs/dbraw/zinc/46/98/92/1047469892.db2.gz OINJWCJKPGRRMW-UHFFFAOYSA-N -1 1 348.424 4.136 20 5 EIBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000091054604 1055510051 /nfs/dbraw/zinc/51/00/51/1055510051.db2.gz UYHXJIBEVXBLGH-UHFFFAOYSA-N -1 1 348.424 4.136 20 5 EIBDMM O=C(Nc1ccc(SC2CCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000533265772 1032588004 /nfs/dbraw/zinc/58/80/04/1032588004.db2.gz KKUZZMSJDJWGLA-UHFFFAOYSA-N -1 1 331.397 4.210 20 5 EIBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000583219323 1028274474 /nfs/dbraw/zinc/27/44/74/1028274474.db2.gz XRLKJRVLINGDBZ-QGZVFWFLSA-N -1 1 332.787 4.195 20 5 EIBDMM O=[N+]([O-])c1cccc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445454923 1028607550 /nfs/dbraw/zinc/60/75/50/1028607550.db2.gz NESRGSRTJONOBW-DAXSKMNVSA-N -1 1 343.726 4.174 20 5 EIBDMM C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481106 1028631477 /nfs/dbraw/zinc/63/14/77/1028631477.db2.gz OLAFQPPEUAHIEB-CSKARUKUSA-N -1 1 341.298 4.050 20 5 EIBDMM CC(C)Cn1cc([N-]c2ncc([N+](=O)[O-])cc2Cl)c(C(F)F)n1 ZINC000536395862 1042834944 /nfs/dbraw/zinc/83/49/44/1042834944.db2.gz SNNQBZNWSVTSEX-UHFFFAOYSA-N -1 1 345.737 4.177 20 5 EIBDMM O=C(Nc1cc(Cl)ccc1OC1CCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000428885568 1044819876 /nfs/dbraw/zinc/81/98/76/1044819876.db2.gz IIIOOQAXGYWEIW-UHFFFAOYSA-N -1 1 349.774 4.150 20 5 EIBDMM C[C@H]1CC[C@@H](c2ccccc2)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001170150979 1045713648 /nfs/dbraw/zinc/71/36/48/1045713648.db2.gz UGTHLBKUBLEBJP-KSSFIOAISA-N -1 1 326.396 4.274 20 5 EIBDMM C[C@@H]1CC[C@H](c2ccccc2)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001170150980 1045714390 /nfs/dbraw/zinc/71/43/90/1045714390.db2.gz UGTHLBKUBLEBJP-RDTXWAMCSA-N -1 1 326.396 4.274 20 5 EIBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1c([O-])cccc1Cl ZINC000769719417 1046054018 /nfs/dbraw/zinc/05/40/18/1046054018.db2.gz IRYBPBJRLRSHPC-UHFFFAOYSA-N -1 1 348.786 4.005 20 5 EIBDMM CC(C)Cn1ncc([N-]c2ncc([N+](=O)[O-])cc2Cl)c1C(F)F ZINC000581681596 1021867608 /nfs/dbraw/zinc/86/76/08/1021867608.db2.gz XOSSNUVHHVQUOB-UHFFFAOYSA-N -1 1 345.737 4.177 20 5 EIBDMM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000582474750 1021946626 /nfs/dbraw/zinc/94/66/26/1021946626.db2.gz BHJUZIYXWOKBKB-LLVKDONJSA-N -1 1 328.393 4.366 20 5 EIBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000549508158 1023814849 /nfs/dbraw/zinc/81/48/49/1023814849.db2.gz KMXUALMOKZTQGU-HXUWFJFHSA-N -1 1 348.402 4.374 20 5 EIBDMM O=[N+]([O-])c1ccc(CN(Cc2cccc([O-])c2Cl)C2CC2)cc1 ZINC000507244827 1026719406 /nfs/dbraw/zinc/71/94/06/1026719406.db2.gz UOXLMYGRNVHMCD-UHFFFAOYSA-N -1 1 332.787 4.118 20 5 EIBDMM O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000730361055 1043503482 /nfs/dbraw/zinc/50/34/82/1043503482.db2.gz XCGYUYIVOMANDE-UHFFFAOYSA-N -1 1 348.163 4.026 20 5 EIBDMM O=C(Nc1ccc(OCC2CCCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000498522849 1047725824 /nfs/dbraw/zinc/72/58/24/1047725824.db2.gz MVNJPPQYAJHILP-UHFFFAOYSA-N -1 1 343.383 4.134 20 5 EIBDMM Nc1ccc2cc3ccc(Nc4cccc(C(=O)[O-])c4)cc3nc2c1 ZINC001175331893 1051537584 /nfs/dbraw/zinc/53/75/84/1051537584.db2.gz QABIRIXREURVGM-UHFFFAOYSA-N -1 1 329.359 4.412 20 5 EIBDMM CCc1c(Cl)cc(Nc2ccc([N+](=O)[O-])nc2)c([O-])c1Cl ZINC001203580637 1051942319 /nfs/dbraw/zinc/94/23/19/1051942319.db2.gz ONWUTZZHXLMMNE-UHFFFAOYSA-N -1 1 328.155 4.308 20 5 EIBDMM O=S(=O)([N-]c1cccc2cc3ccccc3cc21)c1ccc(O)cc1 ZINC001195802693 1053492678 /nfs/dbraw/zinc/49/26/78/1053492678.db2.gz JHZQWKOSYMTWJU-UHFFFAOYSA-N -1 1 349.411 4.499 20 5 EIBDMM O=S(=O)([N-]c1c2ccccc2cc2ccccc21)c1ccc(O)cc1 ZINC001195810610 1053494022 /nfs/dbraw/zinc/49/40/22/1053494022.db2.gz KBOCWMMCCCVTDM-UHFFFAOYSA-N -1 1 349.411 4.499 20 5 EIBDMM O=C([N-]c1cc(Cl)c(Cl)cc1F)c1c(F)cccc1[N+](=O)[O-] ZINC001270560433 1025544365 /nfs/dbraw/zinc/54/43/65/1025544365.db2.gz GWLLDOOEVBLRAD-UHFFFAOYSA-N -1 1 347.104 4.432 20 5 EIBDMM O=[N+]([O-])c1ccc(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445450394 1028545688 /nfs/dbraw/zinc/54/56/88/1028545688.db2.gz SJSUUCQWRWTBNU-FPYGCLRLSA-N -1 1 343.726 4.174 20 5 EIBDMM O=[N+]([O-])c1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)s1 ZINC000445485167 1028636347 /nfs/dbraw/zinc/63/63/47/1028636347.db2.gz YPKIMYOWFWMYKL-UHFFFAOYSA-N -1 1 339.332 4.232 20 5 EIBDMM CC(C)CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(F)c(Cl)c1 ZINC000600227357 1039407694 /nfs/dbraw/zinc/40/76/94/1039407694.db2.gz YUXLSZVKHGVOFL-UHFFFAOYSA-N -1 1 339.754 4.018 20 5 EIBDMM O=[N+]([O-])c1ccc2nc(/C=C\c3cc(F)c([O-])c(F)c3)ccc2c1 ZINC000436851126 1041517149 /nfs/dbraw/zinc/51/71/49/1041517149.db2.gz CKPCJXSDIYYXGP-IWQZZHSRSA-N -1 1 328.274 4.297 20 5 EIBDMM CC[C@H](C)CON=c1cc(C(F)(F)C(F)(F)F)[n-]cc1[N+](=O)[O-] ZINC000813622065 1049804185 /nfs/dbraw/zinc/80/41/85/1049804185.db2.gz KDUYKIWSMFCHAF-ZETCQYMHSA-N -1 1 343.252 4.034 20 5 EIBDMM O=C([N-]c1c(F)cc(Cl)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000180353631 1049884476 /nfs/dbraw/zinc/88/44/76/1049884476.db2.gz MRYJAHFYYGZQNC-UHFFFAOYSA-N -1 1 347.104 4.432 20 5 EIBDMM O=S(=O)(Cc1cccnc1)[N-]c1c2ccccc2cc2ccccc21 ZINC001197464953 1053915329 /nfs/dbraw/zinc/91/53/29/1053915329.db2.gz IZLMDAPCNAYFRF-UHFFFAOYSA-N -1 1 348.427 4.330 20 5 EIBDMM O=[N+]([O-])c1ccc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445450393 1028545196 /nfs/dbraw/zinc/54/51/96/1028545196.db2.gz SJSUUCQWRWTBNU-BAQGIRSFSA-N -1 1 343.726 4.174 20 5 EIBDMM CC(C)Sc1ccccc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269578371 1031033800 /nfs/dbraw/zinc/03/38/00/1031033800.db2.gz JXGNGDVQUUWWRX-UHFFFAOYSA-N -1 1 348.428 4.194 20 5 EIBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436708787 1041425004 /nfs/dbraw/zinc/42/50/04/1041425004.db2.gz LITRKRGOWLLACF-UHFFFAOYSA-N -1 1 348.786 4.005 20 5 EIBDMM Nc1cccc(S(=O)(=O)[N-]c2cc3ccccc3c3ccccc23)c1 ZINC001175111022 1051355551 /nfs/dbraw/zinc/35/55/51/1051355551.db2.gz ANJCOSXLICBFOU-UHFFFAOYSA-N -1 1 348.427 4.376 20 5 EIBDMM Nc1ccccc1S(=O)(=O)[N-]c1cccc2cc3ccccc3cc21 ZINC001193928179 1052022410 /nfs/dbraw/zinc/02/24/10/1052022410.db2.gz AFOHDOXGABEDNP-UHFFFAOYSA-N -1 1 348.427 4.376 20 5 EIBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2ccccc2c1[O-] ZINC000610664807 1024455044 /nfs/dbraw/zinc/45/50/44/1024455044.db2.gz YZUQUAVRCZKKNR-UHFFFAOYSA-N -1 1 336.347 4.323 20 5 EIBDMM O=[N+]([O-])c1ccccc1/C=C\c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445448778 1028537125 /nfs/dbraw/zinc/53/71/25/1028537125.db2.gz SUENTWUVMJPGFY-YVMONPNESA-N -1 1 343.726 4.174 20 5 EIBDMM O=C(Nc1ccccc1NCC1CCCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000542060276 1042254456 /nfs/dbraw/zinc/25/44/56/1042254456.db2.gz MHMDAQKDYCHUMD-UHFFFAOYSA-N -1 1 342.399 4.167 20 5 EIBDMM O=[N+]([O-])c1ccc(Nc2c([O-])c(Br)ccc2Cl)cc1 ZINC001174479174 1051017829 /nfs/dbraw/zinc/01/78/29/1051017829.db2.gz FAFAHQGPGGUYNQ-UHFFFAOYSA-N -1 1 343.564 4.460 20 5 EIBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CC1CCC1)c1ccccc1 ZINC000339078378 1053863289 /nfs/dbraw/zinc/86/32/89/1053863289.db2.gz VFUOVNZPIHWJMK-SFHVURJKSA-N -1 1 326.396 4.322 20 5 EIBDMM CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000579015919 1026902368 /nfs/dbraw/zinc/90/23/68/1026902368.db2.gz IQQLMTRGYUDLPY-UHFFFAOYSA-N -1 1 335.747 4.160 20 5 EIBDMM C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2c([O-])cccc21 ZINC000186275205 1029457496 /nfs/dbraw/zinc/45/74/96/1029457496.db2.gz ZPRXZTSJXRGUSR-JTQLQIEISA-N -1 1 346.770 4.108 20 5 EIBDMM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000555427621 1039193072 /nfs/dbraw/zinc/19/30/72/1039193072.db2.gz FHXXRDXSKUQLIU-ZDUSSCGKSA-N -1 1 326.396 4.030 20 5 EIBDMM O=C(Nc1cc(F)ccc1Oc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000556313429 1047671665 /nfs/dbraw/zinc/67/16/65/1047671665.db2.gz MJOBVDQRLNRBBS-UHFFFAOYSA-N -1 1 341.298 4.107 20 5 EIBDMM O=[N+]([O-])c1ccccc1CN(Cc1cccc([O-])c1Cl)C1CC1 ZINC000507244450 1026720102 /nfs/dbraw/zinc/72/01/02/1026720102.db2.gz RTZXKJZUGWTBJR-UHFFFAOYSA-N -1 1 332.787 4.118 20 5 EIBDMM O=c1[n-]c(-c2ccc([N+](=O)[O-])s2)nc2cc(Cl)c(Cl)cc12 ZINC000485374820 1035854377 /nfs/dbraw/zinc/85/43/77/1035854377.db2.gz XNGVQBNHEDLGOD-UHFFFAOYSA-N -1 1 342.163 4.279 20 5 EIBDMM O=[N+]([O-])c1ccc2sc(/C=C\c3c(F)ccc([O-])c3F)nc2c1 ZINC000480035590 1040870599 /nfs/dbraw/zinc/87/05/99/1040870599.db2.gz CVHWRCSQBQTTIY-KXFIGUGUSA-N -1 1 334.303 4.359 20 5 EIBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(-c2ccccc2)ns1 ZINC000742225821 1058549903 /nfs/dbraw/zinc/54/99/03/1058549903.db2.gz FYAIXXHRYJKHDH-UHFFFAOYSA-N -1 1 343.339 4.110 20 5 EIBDMM O=C([N-]c1cc(F)cc(F)c1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000579697036 1018793204 /nfs/dbraw/zinc/79/32/04/1018793204.db2.gz SIXUFXLLTRDKNG-UHFFFAOYSA-N -1 1 336.225 4.011 20 5 EIBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000583781140 1029168699 /nfs/dbraw/zinc/16/86/99/1029168699.db2.gz SCGDXFSKHJOVKY-QMMMGPOBSA-N -1 1 341.339 4.190 20 5 EIBDMM O=C(Nc1c(F)cccc1Oc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000500929352 1034247575 /nfs/dbraw/zinc/24/75/75/1034247575.db2.gz FGEQJSBHOCKZNN-UHFFFAOYSA-N -1 1 341.298 4.107 20 5 EIBDMM CCCC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000514617516 1040056083 /nfs/dbraw/zinc/05/60/83/1040056083.db2.gz LFBSORKXJJLKBF-GOSISDBHSA-N -1 1 344.411 4.330 20 5 EIBDMM O=[N+]([O-])c1ccc2sc(/C=C\c3cc(F)c([O-])c(F)c3)nc2c1 ZINC000436775428 1041470504 /nfs/dbraw/zinc/47/05/04/1041470504.db2.gz XHXQWEIALCSLMX-RJRFIUFISA-N -1 1 334.303 4.359 20 5 EIBDMM CC[C@@H](C)n1ncc([N-]c2nc3ccccn3c2[N+](=O)[O-])c1C1CC1 ZINC000762561513 1045290714 /nfs/dbraw/zinc/29/07/14/1045290714.db2.gz HMDARNSBHXJLKT-LLVKDONJSA-N -1 1 340.387 4.031 20 5 EIBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc2sccc2s1 ZINC000918564114 1047516255 /nfs/dbraw/zinc/51/62/55/1047516255.db2.gz VYNSXXDVDJLQEH-UHFFFAOYSA-N -1 1 340.332 4.402 20 5 EIBDMM