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)CCNC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000006325791 527731610 /nfs/dbraw/zinc/73/16/10/527731610.db2.gz NZFVNVPEPUYRQR-UHFFFAOYSA-N 0 0 296.392 2.990 40 5 CFBBRN COC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2)nc1C(F)F ZINC000685936590 567104271 /nfs/dbraw/zinc/10/42/71/567104271.db2.gz IYFADHNKVQKLFJ-UHFFFAOYSA-N 0 0 297.217 2.505 40 5 CFBBRN O=C(NC1CC1)c1ccc2nc3ccccc3nc2c1 ZINC000096567907 230385714 /nfs/dbraw/zinc/38/57/14/230385714.db2.gz KCLOQNRPDIGQCR-UHFFFAOYSA-N 0 0 263.300 2.675 40 5 CFBBRN Cc1ccccc1C(=O)n1cnc2cc([N+](=O)[O-])ccc21 ZINC000000051934 371517105 /nfs/dbraw/zinc/51/71/05/371517105.db2.gz KFLPWBKUCYJQQF-UHFFFAOYSA-N 0 0 281.271 2.941 40 5 CFBBRN Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)o1 ZINC000000800923 371650313 /nfs/dbraw/zinc/65/03/13/371650313.db2.gz JTVJAMKZNXJIHP-UHFFFAOYSA-N 0 0 251.267 2.579 40 5 CFBBRN O=[N+]([O-])c1c(Br)cccc1OC(F)F ZINC000002529891 371733405 /nfs/dbraw/zinc/73/34/05/371733405.db2.gz YORPKMVJFDMAOZ-UHFFFAOYSA-N 0 0 268.013 2.959 40 5 CFBBRN O=[N+]([O-])c1ccc(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003660224 371814089 /nfs/dbraw/zinc/81/40/89/371814089.db2.gz CCVTWTQXQQSPCD-CQSZACIVSA-N 0 0 288.259 2.779 40 5 CFBBRN COC(=O)c1c(N)scc1-c1ccc([N+](=O)[O-])cc1 ZINC000015440721 372085115 /nfs/dbraw/zinc/08/51/15/372085115.db2.gz BTEIHNABMWZODG-UHFFFAOYSA-N 0 0 278.289 2.692 40 5 CFBBRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCc1ccccc1 ZINC000033280054 372489083 /nfs/dbraw/zinc/48/90/83/372489083.db2.gz KYCAMTAUNYQBGO-FLIBITNWSA-N 0 0 296.326 2.967 40 5 CFBBRN O=[N+]([O-])c1ccc(Cc2nsc(Cl)n2)cc1 ZINC000047218913 373084766 /nfs/dbraw/zinc/08/47/66/373084766.db2.gz XDDUFFPJLSISPB-UHFFFAOYSA-N 0 0 255.686 2.691 40 5 CFBBRN Cc1nnc(Sc2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000070462291 374183189 /nfs/dbraw/zinc/18/31/89/374183189.db2.gz UFALVDLGAGQGAE-UHFFFAOYSA-N 0 0 270.701 2.826 40 5 CFBBRN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C/[N+](=O)[O-] ZINC000409000569 380953270 /nfs/dbraw/zinc/95/32/70/380953270.db2.gz TZCLVBVCDMMMJX-VOTSOKGWSA-N 0 0 288.263 2.645 40 5 CFBBRN Cc1noc(/C=C\c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000408541929 380942057 /nfs/dbraw/zinc/94/20/57/380942057.db2.gz GOFJIALBECMVLQ-WAYWQWQTSA-N 0 0 275.220 2.970 40 5 CFBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000217530401 382787030 /nfs/dbraw/zinc/78/70/30/382787030.db2.gz RHJUANSGBXEVCS-ZHONLBEXSA-N 0 0 272.304 2.825 40 5 CFBBRN O=c1c2cc3ccccc3n2c(=O)c2cc3ccccc3n21 ZINC000001850026 285208902 /nfs/dbraw/zinc/20/89/02/285208902.db2.gz KVIOIFKWKBDGAV-UHFFFAOYSA-N 0 0 286.290 2.657 40 5 CFBBRN Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000080511470 292140014 /nfs/dbraw/zinc/14/00/14/292140014.db2.gz BILPNKYUPHYCCO-GHMZBOCLSA-N 0 0 250.298 2.517 40 5 CFBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](C)C1 ZINC000005208317 170076206 /nfs/dbraw/zinc/07/62/06/170076206.db2.gz PNEHNEWBVMMEMB-JTQLQIEISA-N 0 0 293.323 2.867 40 5 CFBBRN CCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000005215145 170076499 /nfs/dbraw/zinc/07/64/99/170076499.db2.gz HCBOXIZBNXRJST-JXMROGBWSA-N 0 0 278.289 2.651 40 5 CFBBRN Cc1ccc(S(=O)(=O)/C=C\c2ccc([N+](=O)[O-])o2)cc1 ZINC000005432872 170098948 /nfs/dbraw/zinc/09/89/48/170098948.db2.gz PGRCPHNRPHKODQ-HJWRWDBZSA-N 0 0 293.300 2.941 40 5 CFBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000005568110 170114777 /nfs/dbraw/zinc/11/47/77/170114777.db2.gz HTDQFQNNCQZSTQ-UHFFFAOYSA-N 0 0 268.578 2.749 40 5 CFBBRN Cc1c(C(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)cccc1[N+](=O)[O-] ZINC000006921352 170255524 /nfs/dbraw/zinc/25/55/24/170255524.db2.gz HRNZZMTVXHMREV-MDZLAQPJSA-N 0 0 274.320 2.822 40 5 CFBBRN CC(C)[C@H](C)NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000007093670 170267145 /nfs/dbraw/zinc/26/71/45/170267145.db2.gz BOHBGNJLMUTOOD-NSHDSACASA-N 0 0 296.392 2.989 40 5 CFBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1F ZINC000007127087 170267961 /nfs/dbraw/zinc/26/79/61/170267961.db2.gz NQBGTTHTNDDYHV-UHFFFAOYSA-N 0 0 290.250 2.995 40 5 CFBBRN O=[N+]([O-])c1ccc(SCCO)c(Cl)c1Cl ZINC000022124741 171353962 /nfs/dbraw/zinc/35/39/62/171353962.db2.gz ZFXGXOOULZHYKX-UHFFFAOYSA-N 0 0 268.121 2.986 40 5 CFBBRN O=[N+]([O-])c1ccc(Cl)nc1NCc1ccncc1 ZINC000037331836 173133516 /nfs/dbraw/zinc/13/35/16/173133516.db2.gz HPAIVORYFKEOBT-UHFFFAOYSA-N 0 0 264.672 2.650 40 5 CFBBRN O=[N+]([O-])c1cc(C(F)(F)F)cnc1NC[C@H]1CCCO1 ZINC000039956806 174179035 /nfs/dbraw/zinc/17/90/35/174179035.db2.gz LEIAOWBMADSJAN-MRVPVSSYSA-N 0 0 291.229 2.600 40 5 CFBBRN Cc1ccnc(NCc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000039956742 174179254 /nfs/dbraw/zinc/17/92/54/174179254.db2.gz BHAXREANZLZPPU-UHFFFAOYSA-N 0 0 288.263 2.819 40 5 CFBBRN CCCCC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000039773042 260133952 /nfs/dbraw/zinc/13/39/52/260133952.db2.gz GEDXCNAGVXUFIF-UHFFFAOYSA-N 0 0 290.279 2.774 40 5 CFBBRN CC(C)CC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000039759820 260134759 /nfs/dbraw/zinc/13/47/59/260134759.db2.gz VBLYSVCDHLUBAS-UHFFFAOYSA-N 0 0 290.279 2.629 40 5 CFBBRN CCOC(=O)c1cn(CC)c2c3ccncc3ccc2c1=O ZINC000001588010 273692528 /nfs/dbraw/zinc/69/25/28/273692528.db2.gz FVSVQIRLDMOUOV-UHFFFAOYSA-N 0 0 296.326 2.746 40 5 CFBBRN CCC(=O)Nc1cc(N(C)C)c([N+](=O)[O-])cc1Cl ZINC000045891828 275948956 /nfs/dbraw/zinc/94/89/56/275948956.db2.gz AMGFGUUENICQAG-UHFFFAOYSA-N 0 0 271.704 2.663 40 5 CFBBRN CN(C)c1cc2c(cc1[N+](=O)[O-])-c1ccccc1[C@@H]2O ZINC000005422944 276799598 /nfs/dbraw/zinc/79/95/98/276799598.db2.gz MUWKTNLZZHUCDG-HNNXBMFYSA-N 0 0 270.288 2.723 40 5 CFBBRN COc1cccc2oc3c(ccc(O)c3OC)c(=O)c12 ZINC000014822013 278043536 /nfs/dbraw/zinc/04/35/36/278043536.db2.gz NTMVXGVBFJZCFH-UHFFFAOYSA-N 0 0 272.256 2.669 40 5 biogenic,in-vitro CFBBRN CC(=O)N[C@@H]1CCCC[C@H]1C1CCC([N+](=O)[O-])CC1 ZINC000001579183 278141129 /nfs/dbraw/zinc/14/11/29/278141129.db2.gz OLZQQQQTYWRNSQ-CLRIEMFWSA-N 0 0 268.357 2.517 40 5 CFBBRN CC1=C([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)NC(=O)N1C ZINC000003157982 278491991 /nfs/dbraw/zinc/49/19/91/278491991.db2.gz WDYUIDSGUAEJKH-SNVBAGLBSA-N 0 0 281.699 2.544 40 5 CFBBRN O=[N+]([O-])c1cc(Br)nc2ccccc21 ZINC000014982293 280356787 /nfs/dbraw/zinc/35/67/87/280356787.db2.gz UZEYIWTXAADTSC-UHFFFAOYSA-N 0 0 253.055 2.906 40 5 CFBBRN Cc1ccc2c(N)c([N+](=O)[O-])cc(Br)c2n1 ZINC000026438487 281047526 /nfs/dbraw/zinc/04/75/26/281047526.db2.gz PGFJQEMHMRGSJA-UHFFFAOYSA-N 0 0 282.097 2.796 40 5 CFBBRN Cc1cc(=O)[nH]c2c(Br)cc([N+](=O)[O-])cc12 ZINC000685937816 545575437 /nfs/dbraw/zinc/57/54/37/545575437.db2.gz TWXMLOAYXGLKDP-UHFFFAOYSA-N 0 0 283.081 2.920 40 5 CFBBRN CC(C)(C)C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009062431 346225664 /nfs/dbraw/zinc/22/56/64/346225664.db2.gz XNJOJCGBAQGQTN-UHFFFAOYSA-N 0 0 290.279 2.629 40 5 CFBBRN O=c1sc(-c2ccccc2)nc(Cl)c1[N+](=O)[O-] ZINC000033702435 346312173 /nfs/dbraw/zinc/31/21/73/346312173.db2.gz RHDVXPCMXFPJOE-UHFFFAOYSA-N 0 0 268.681 2.732 40 5 CFBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(C)(C)C ZINC000054921950 346579907 /nfs/dbraw/zinc/57/99/07/346579907.db2.gz NBKNSCQRDUOGCO-UHFFFAOYSA-N 0 0 283.353 2.688 40 5 CFBBRN O=C1COc2ccccc2N1Cc1cccc([N+](=O)[O-])c1 ZINC000201500785 348153386 /nfs/dbraw/zinc/15/33/86/348153386.db2.gz VFLYLPJFJZZNKX-UHFFFAOYSA-N 0 0 284.271 2.520 40 5 CFBBRN [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)[O-] ZINC000001642186 283550502 /nfs/dbraw/zinc/55/05/02/283550502.db2.gz MRVJUNXMEDRMRO-INIZCTEOSA-N 0 0 265.312 2.947 40 5 CFBBRN CCOC(=O)Nc1cc(NC(=O)OCC)cc([N+](=O)[O-])c1 ZINC000001635815 371689514 /nfs/dbraw/zinc/68/95/14/371689514.db2.gz LCHOLHXRMLBTMA-UHFFFAOYSA-N 0 0 297.267 2.732 40 5 CFBBRN CC(C)(Br)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000001730298 371703335 /nfs/dbraw/zinc/70/33/35/371703335.db2.gz QSVFDQGTACZCAH-UHFFFAOYSA-N 0 0 262.059 2.544 40 5 CFBBRN CCCc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000002746192 371749760 /nfs/dbraw/zinc/74/97/60/371749760.db2.gz RXRUETWSFKBERS-UHFFFAOYSA-N 0 0 292.320 2.651 40 5 CFBBRN O=[N+]([O-])c1cnn(COc2cccc(C(F)(F)F)c2)c1 ZINC000004291275 371847266 /nfs/dbraw/zinc/84/72/66/371847266.db2.gz LDGLHYNUVLOTKN-UHFFFAOYSA-N 0 0 287.197 2.847 40 5 CFBBRN O=[N+]([O-])c1ccc(COc2cccc(CO)c2)cc1 ZINC000020031751 372221024 /nfs/dbraw/zinc/22/10/24/372221024.db2.gz XIXHPXJWXZFTGT-UHFFFAOYSA-N 0 0 259.261 2.666 40 5 CFBBRN COC(=O)[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000032164791 372434503 /nfs/dbraw/zinc/43/45/03/372434503.db2.gz JMRXEYLTVZUDJR-AWEZNQCLSA-N 0 0 271.272 2.900 40 5 CFBBRN O=[N+]([O-])c1c[nH]nc1-c1ccc(Br)cc1 ZINC000042415178 372920268 /nfs/dbraw/zinc/92/02/68/372920268.db2.gz GIZMBTFPWOPYIT-UHFFFAOYSA-N 0 0 268.070 2.747 40 5 CFBBRN CCCN(CCC[N+](=O)[O-])C(=O)[C@H](C)c1ccccc1 ZINC000087491452 374823702 /nfs/dbraw/zinc/82/37/02/374823702.db2.gz AJVAXUPUSJLQGM-CYBMUJFWSA-N 0 0 278.352 2.696 40 5 CFBBRN CCOC(=O)c1cc2c(o1)c([N+](=O)[O-])ccc2F ZINC000097463345 375562958 /nfs/dbraw/zinc/56/29/58/375562958.db2.gz GFAYJPOZODWRMJ-UHFFFAOYSA-N 0 0 253.185 2.657 40 5 CFBBRN CC(=O)Nc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000098175196 375609219 /nfs/dbraw/zinc/60/92/19/375609219.db2.gz YQFMJUNNKVWJBE-UHFFFAOYSA-N 0 0 275.220 2.615 40 5 CFBBRN COC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)OC(C)(C)C ZINC000098181509 375610330 /nfs/dbraw/zinc/61/03/30/375610330.db2.gz HNQHCRSHSQNNFP-UHFFFAOYSA-N 0 0 296.279 2.728 40 5 CFBBRN CCc1nnc(Sc2ccc([N+](=O)[O-])cc2C(C)=O)[nH]1 ZINC000408583019 380943115 /nfs/dbraw/zinc/94/31/15/380943115.db2.gz QXZYPRSAQYSAAI-UHFFFAOYSA-N 0 0 292.320 2.629 40 5 CFBBRN CCOC(=O)c1ncc(-c2ccccc2[N+](=O)[O-])s1 ZINC000199567365 382772037 /nfs/dbraw/zinc/77/20/37/382772037.db2.gz PJVZEFKMCMMZLM-UHFFFAOYSA-N 0 0 278.289 2.895 40 5 CFBBRN Cn1c(-c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]c1=S ZINC000228977982 382849821 /nfs/dbraw/zinc/84/98/21/382849821.db2.gz GHTHPEBEPCGRCS-UHFFFAOYSA-N 0 0 270.701 2.706 40 5 CFBBRN CCOC(=O)CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000224681677 382811740 /nfs/dbraw/zinc/81/17/40/382811740.db2.gz FNPACITXZUSITO-UHFFFAOYSA-N 0 0 257.673 2.744 40 5 CFBBRN O=[N+]([O-])c1cc(-c2nnc3ccccn32)ccc1Cl ZINC000261363197 285082033 /nfs/dbraw/zinc/08/20/33/285082033.db2.gz GKGFCPTZOSCUED-UHFFFAOYSA-N 0 0 274.667 2.958 40 5 CFBBRN O=[N+]([O-])c1cccc([C@@H]2NCc3ccccc3O2)c1 ZINC000090367564 285157009 /nfs/dbraw/zinc/15/70/09/285157009.db2.gz VQUHZNMTQIYVKF-CQSZACIVSA-N 0 0 256.261 2.776 40 5 CFBBRN O=c1c2ccccc2c(=O)c2sc3ccccc3[nH]c1=2 ZINC000001567184 285210652 /nfs/dbraw/zinc/21/06/52/285210652.db2.gz JEKDXFOWQKFUTN-UHFFFAOYSA-N 0 0 279.320 2.828 40 5 CFBBRN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCO3)sc2c1 ZINC000059461254 256796160 /nfs/dbraw/zinc/79/61/60/256796160.db2.gz QPLRNCOYDJLRRD-VIFPVBQESA-N 0 0 279.321 2.795 40 5 CFBBRN CCCCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005463691 170101658 /nfs/dbraw/zinc/10/16/58/170101658.db2.gz ZZOHGKQZOVCJJU-CMDGGOBGSA-N 0 0 262.309 2.914 40 5 CFBBRN O=C(/C=C/c1ccc([N+](=O)[O-])o1)NCc1ccccc1 ZINC000007943293 170308779 /nfs/dbraw/zinc/30/87/79/170308779.db2.gz WLGOLTAXKGWYJV-SOFGYWHQSA-N 0 0 272.260 2.517 40 5 CFBBRN Cc1ccc(Cn2cc([N+](=O)[O-])c(-c3cnn(C)c3)n2)cc1 ZINC000020367444 171165909 /nfs/dbraw/zinc/16/59/09/171165909.db2.gz SJQLZWCEQZGOOM-UHFFFAOYSA-N 0 0 297.318 2.549 40 5 CFBBRN O=[N+]([O-])c1cc(-c2cc(Cl)ncn2)ccc1F ZINC000038580449 174148172 /nfs/dbraw/zinc/14/81/72/174148172.db2.gz WLDGDLFTMKZOKD-UHFFFAOYSA-N 0 0 253.620 2.844 40 5 CFBBRN O=[N+]([O-])c1cccc(-c2nnc(CNc3ccccc3)[nH]2)c1 ZINC000040174577 174200550 /nfs/dbraw/zinc/20/05/50/174200550.db2.gz PNHCHZDZBOSTSH-UHFFFAOYSA-N 0 0 295.302 2.992 40 5 CFBBRN CC(C)(C)OC(=O)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000095635192 260555834 /nfs/dbraw/zinc/55/58/34/260555834.db2.gz PVLBDPVLUGVJJF-UHFFFAOYSA-N 0 0 273.676 2.990 40 5 CFBBRN CCN(CC)c1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000045886592 276120796 /nfs/dbraw/zinc/12/07/96/276120796.db2.gz ISJKSVVYOYHZOF-UHFFFAOYSA-N 0 0 253.258 2.658 40 5 CFBBRN COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Cl ZINC000002009661 277151757 /nfs/dbraw/zinc/15/17/57/277151757.db2.gz BHIJMLGSGLWEIR-UHFFFAOYSA-N 0 0 250.037 2.688 40 5 CFBBRN COc1c(C(=O)N2CCCC[C@H]2C)cc(C)cc1[N+](=O)[O-] ZINC000072206659 277361193 /nfs/dbraw/zinc/36/11/93/277361193.db2.gz PJWVIPKBVDVNRT-LLVKDONJSA-N 0 0 292.335 2.926 40 5 CFBBRN COc1c(F)c(OC)c([N+](=O)[O-])cc1Br ZINC000098211629 277789210 /nfs/dbraw/zinc/78/92/10/277789210.db2.gz ZSBXXNHBCIHHJN-UHFFFAOYSA-N 0 0 280.049 2.514 40 5 CFBBRN COc1cc2[nH]c(Cl)c([N+](=O)[O-])c2cc1OC ZINC000004475645 277840955 /nfs/dbraw/zinc/84/09/55/277840955.db2.gz HQNFLEZDRSVJCN-UHFFFAOYSA-N 0 0 256.645 2.747 40 5 CFBBRN C[C@]1(c2ccc([N+](=O)[O-])cc2)c2ccccc2NC1=O ZINC000169803917 278570308 /nfs/dbraw/zinc/57/03/08/278570308.db2.gz UWLDKTRKBLSEBO-HNNXBMFYSA-N 0 0 268.272 2.853 40 5 CFBBRN Cc1c(F)ccc([N+](=O)[O-])c1I ZINC000097447203 280237288 /nfs/dbraw/zinc/23/72/88/280237288.db2.gz RDSVGXOPYIGULW-UHFFFAOYSA-N 0 0 281.024 2.647 40 5 CFBBRN O=[N+]([O-])c1cc2nc(C(F)(F)F)oc2cc1F ZINC000258833928 280362055 /nfs/dbraw/zinc/36/20/55/280362055.db2.gz NFVBXHWLEUKTLG-UHFFFAOYSA-N 0 0 250.107 2.894 40 5 CFBBRN O=[N+]([O-])c1ccc(Br)cc1NC1CC1 ZINC000083730427 280363084 /nfs/dbraw/zinc/36/30/84/280363084.db2.gz UNWWCMMLUVREEB-UHFFFAOYSA-N 0 0 257.087 2.932 40 5 CFBBRN NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000048380493 328305439 /nfs/dbraw/zinc/30/54/39/328305439.db2.gz NIXLQASNLJVBGA-UHFFFAOYSA-N 0 0 266.640 2.607 40 5 CFBBRN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccccc1 ZINC000159711182 330850590 /nfs/dbraw/zinc/85/05/90/330850590.db2.gz ANFCAIUWWQOYLB-UHFFFAOYSA-N 0 0 289.316 2.721 40 5 CFBBRN CC(C)CC1C(=O)Nc2cccc([N+](=O)[O-])c2C1=O ZINC000685936936 570388825 /nfs/dbraw/zinc/38/88/25/570388825.db2.gz CTHVIFONHDVYBM-UHFFFAOYSA-N 0 0 262.265 2.753 40 5 CFBBRN Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000000344493 371590989 /nfs/dbraw/zinc/59/09/89/371590989.db2.gz DAIFVFXSQMQMCS-UHFFFAOYSA-N 0 0 298.711 2.660 40 5 CFBBRN 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/nfs/dbraw/zinc/07/38/86/280073886.db2.gz RLVNNIKQWLZQKH-UFGOTCBOSA-N 0 0 261.277 2.940 40 5 CFBBRN Cc1nc2ccccc2n1-c1ccc([N+](=O)[O-])cn1 ZINC000012398533 282076113 /nfs/dbraw/zinc/07/61/13/282076113.db2.gz FTLBJIYGEOFMHX-UHFFFAOYSA-N 0 0 254.249 2.637 40 5 CFBBRN O=C1Nc2ccccc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000169803935 304690240 /nfs/dbraw/zinc/69/02/40/304690240.db2.gz VPKORSVNLUCZHN-CYBMUJFWSA-N 0 0 254.245 2.679 40 5 CFBBRN Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000080511468 301631002 /nfs/dbraw/zinc/63/10/02/301631002.db2.gz BILPNKYUPHYCCO-PHIMTYICSA-N 0 0 250.298 2.517 40 5 CFBBRN COCCNC(=O)Nc1cc2cccnc2c2cccnc12 ZINC000104385585 347725344 /nfs/dbraw/zinc/72/53/44/347725344.db2.gz IEHHSEBQKUEFBO-UHFFFAOYSA-N 0 0 296.330 2.551 40 5 CFBBRN O=[N+]([O-])c1cccc([C@H]2NCc3ccccc3O2)c1 ZINC000090367563 179978664 /nfs/dbraw/zinc/97/86/64/179978664.db2.gz VQUHZNMTQIYVKF-AWEZNQCLSA-N 0 0 256.261 2.776 40 5 CFBBRN O=C1OC(c2ccco2)=N/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000000365278 371595724 /nfs/dbraw/zinc/59/57/24/371595724.db2.gz FUUARLPBEBLHJQ-DHZHZOJOSA-N 0 0 284.227 2.532 40 5 CFBBRN O=C(OC1C=CCC=C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001669173 371694276 /nfs/dbraw/zinc/69/42/76/371694276.db2.gz IVMSWUFYWFHPGC-UHFFFAOYSA-N 0 0 290.231 2.545 40 5 CFBBRN NC(=O)Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000001704157 371700393 /nfs/dbraw/zinc/70/03/93/371700393.db2.gz HHOUHFUVUDAFTJ-UHFFFAOYSA-N 0 0 269.260 2.657 40 5 CFBBRN COc1ccc2c(ccc3c4n[nH]c(=O)c-4c[nH]c32)c1 ZINC000004772289 371875045 /nfs/dbraw/zinc/87/50/45/371875045.db2.gz OAQAFXSRPDQCDG-UHFFFAOYSA-N 0 0 265.272 2.979 40 5 CFBBRN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])o1 ZINC000009142058 371900529 /nfs/dbraw/zinc/90/05/29/371900529.db2.gz UAMQETIWJJHDBQ-UHFFFAOYSA-N 0 0 290.319 2.742 40 5 CFBBRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Oc1cccnc1 ZINC000013281662 372021399 /nfs/dbraw/zinc/02/13/99/372021399.db2.gz NKZDBLUCLMPDLQ-UHFFFAOYSA-N 0 0 277.211 2.740 40 5 CFBBRN O=[N+]([O-])c1ccc(-c2cnc(N3CCOCC3)s2)cc1 ZINC000016429608 372105536 /nfs/dbraw/zinc/10/55/36/372105536.db2.gz RFJWCDRXOFAMMP-UHFFFAOYSA-N 0 0 291.332 2.555 40 5 CFBBRN CCOc1ccc(-n2nc(C)cc2C)c([N+](=O)[O-])c1 ZINC000070461184 374183737 /nfs/dbraw/zinc/18/37/37/374183737.db2.gz AUCSYXPIOBPNPJ-UHFFFAOYSA-N 0 0 261.281 2.796 40 5 CFBBRN CCOc1cc(C(C)=O)c([N+](=O)[O-])cc1OCC ZINC000070453881 374179247 /nfs/dbraw/zinc/17/92/47/374179247.db2.gz FKKPZCUAOMWHHD-UHFFFAOYSA-N 0 0 253.254 2.595 40 5 CFBBRN CCCC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000408710447 380943979 /nfs/dbraw/zinc/94/39/79/380943979.db2.gz DMYBXAJQBQGSDM-UHFFFAOYSA-N 0 0 292.320 2.852 40 5 CFBBRN COC(=O)c1cc(C)cc2oc3cccc(O)c3c(=O)c21 ZINC000199838004 382772445 /nfs/dbraw/zinc/77/24/45/382772445.db2.gz ROAIVZJRBNAGQS-UHFFFAOYSA-N 0 0 284.267 2.747 40 5 biogenic,in-vitro CFBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(F)cc1 ZINC000000104523 285017566 /nfs/dbraw/zinc/01/75/66/285017566.db2.gz KHCLRZAHRKWQOO-UHFFFAOYSA-N 0 0 286.218 2.535 40 5 CFBBRN O=[N+]([O-])c1cc(Br)cc2[nH]nc(Cl)c21 ZINC000014983654 285082056 /nfs/dbraw/zinc/08/20/56/285082056.db2.gz RWEJDFUOMKACKY-UHFFFAOYSA-N 0 0 276.477 2.887 40 5 CFBBRN CC(=O)Oc1cc2nc3ccccc3nc2cc1N(C)C ZINC000005372625 393460816 /nfs/dbraw/zinc/46/08/16/393460816.db2.gz YCZKZAHZJNQJQI-UHFFFAOYSA-N 0 0 281.315 2.774 40 5 CFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)OCC(C)C)c1 ZINC000004714228 170004182 /nfs/dbraw/zinc/00/41/82/170004182.db2.gz IPJZPDRDNCPDRE-UHFFFAOYSA-N 0 0 268.269 2.808 40 5 CFBBRN CCOC(=O)c1c(NC(C)=O)sc([N+](=O)[O-])c1C1CC1 ZINC000005002629 170053801 /nfs/dbraw/zinc/05/38/01/170053801.db2.gz SGUQVELBBMQCMA-UHFFFAOYSA-N 0 0 298.320 2.669 40 5 CFBBRN COc1cc(/C=C\[N+](=O)[O-])cc(Br)c1OC ZINC000005552220 170112562 /nfs/dbraw/zinc/11/25/62/170112562.db2.gz DVEVFGAGQYOEPX-ARJAWSKDSA-N 0 0 288.097 2.714 40 5 CFBBRN Cc1cc(O)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005697837 170130598 /nfs/dbraw/zinc/13/05/98/170130598.db2.gz CHCMSPJNDAIOKM-UHFFFAOYSA-N 0 0 272.260 2.861 40 5 CFBBRN CC(C)OCCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000006328077 170191930 /nfs/dbraw/zinc/19/19/30/170191930.db2.gz QCXJLRPNCXOBOI-BQYQJAHWSA-N 0 0 292.335 2.539 40 5 CFBBRN CCCc1n[nH]c(=S)n1NCc1cccc([N+](=O)[O-])c1 ZINC000007601394 170292624 /nfs/dbraw/zinc/29/26/24/170292624.db2.gz ANXFPTGGOVUFQP-UHFFFAOYSA-N 0 0 293.352 2.545 40 5 CFBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(O)cc1 ZINC000020211620 171074914 /nfs/dbraw/zinc/07/49/14/171074914.db2.gz SLEIPAURXQONQF-XCVCLJGOSA-N 0 0 284.271 2.952 40 5 CFBBRN O=[N+]([O-])c1cc(Cl)c(NC2CC2)c([N+](=O)[O-])c1 ZINC000020428763 171194330 /nfs/dbraw/zinc/19/43/30/171194330.db2.gz RSSQPJCNECELJM-UHFFFAOYSA-N 0 0 257.633 2.731 40 5 CFBBRN C[C@@H]1CCCCN1c1c(Cl)cc(C(N)=O)cc1[N+](=O)[O-] ZINC000070462577 287278701 /nfs/dbraw/zinc/27/87/01/287278701.db2.gz MWOHJSCRZYBLPD-MRVPVSSYSA-N 0 0 297.742 2.726 40 5 CFBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccccc2)c1 ZINC000038756048 174154501 /nfs/dbraw/zinc/15/45/01/174154501.db2.gz HYNGGVBIEDAGRT-UHFFFAOYSA-N 0 0 292.316 2.537 40 5 CFBBRN Cc1cc(-c2nnc(-c3ccncc3)[nH]2)ccc1[N+](=O)[O-] ZINC000040169730 174199867 /nfs/dbraw/zinc/19/98/67/174199867.db2.gz SXSXUNRBVPFODB-UHFFFAOYSA-N 0 0 281.275 2.750 40 5 CFBBRN CCOC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000045895577 175385918 /nfs/dbraw/zinc/38/59/18/175385918.db2.gz TYFRHNVPASRWLT-UHFFFAOYSA-N 0 0 274.070 2.534 40 5 CFBBRN CCOC(=O)c1cc([N+](=O)[O-])c(N(CC)CC)cc1OC ZINC000045957638 175389415 /nfs/dbraw/zinc/38/94/15/175389415.db2.gz MFCPHEDAJHWMJR-UHFFFAOYSA-N 0 0 296.323 2.626 40 5 CFBBRN CNC(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000071793105 176263930 /nfs/dbraw/zinc/26/39/30/176263930.db2.gz XYTKFIFYHKKECA-UHFFFAOYSA-N 0 0 286.287 2.533 40 5 CFBBRN O=[N+]([O-])c1ccn(Cc2ccccc2Br)n1 ZINC000071978624 176307180 /nfs/dbraw/zinc/30/71/80/176307180.db2.gz IDRSFUVDRANFMU-UHFFFAOYSA-N 0 0 282.097 2.602 40 5 CFBBRN CCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000005215147 279249725 /nfs/dbraw/zinc/24/97/25/279249725.db2.gz FTXZHBUXINKSKT-JXMROGBWSA-N 0 0 278.289 2.651 40 5 CFBBRN Cn1c2nc3ccccc3nc2c2ccccc2c1=O ZINC000001618944 279322563 /nfs/dbraw/zinc/32/25/63/279322563.db2.gz HHLCUEGBMLAHMA-UHFFFAOYSA-N 0 0 261.284 2.635 40 5 CFBBRN Cc1cc(-c2nc(-c3ccco3)n[nH]2)ccc1[N+](=O)[O-] ZINC000040169748 280285311 /nfs/dbraw/zinc/28/53/11/280285311.db2.gz TYAOUCFPJILDDP-UHFFFAOYSA-N 0 0 270.248 2.948 40 5 CFBBRN O=C1c2cc([N+](=O)[O-])ccc2S[C@@H]2C=CS[C@H]12 ZINC000001701395 280330434 /nfs/dbraw/zinc/33/04/34/280330434.db2.gz JQGVFANHKDWCAO-KOLCDFICSA-N 0 0 265.315 2.881 40 5 CFBBRN O=[N+]([O-])c1ccc(N2N=N[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1 ZINC000005104487 280368628 /nfs/dbraw/zinc/36/86/28/280368628.db2.gz LEKLISBRPSSFFG-FQPOAREZSA-N 0 0 258.281 2.949 40 5 CFBBRN C[C@H]1CCCCN1c1c(Cl)cc(C(N)=O)cc1[N+](=O)[O-] ZINC000070462578 290396637 /nfs/dbraw/zinc/39/66/37/290396637.db2.gz MWOHJSCRZYBLPD-QMMMGPOBSA-N 0 0 297.742 2.726 40 5 CFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCCCC1 ZINC000016089075 301864651 /nfs/dbraw/zinc/86/46/51/301864651.db2.gz QOOOLAITYIXKDK-UHFFFAOYSA-N 0 0 298.364 2.514 40 5 CFBBRN Cc1nc(Sc2ccc([N+](=O)[O-])cn2)nc2c1CCC2 ZINC000000581110 346205773 /nfs/dbraw/zinc/20/57/73/346205773.db2.gz BQDPYDBSRAJZER-UHFFFAOYSA-N 0 0 288.332 2.728 40 5 CFBBRN NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000216941420 189707248 /nfs/dbraw/zinc/70/72/48/189707248.db2.gz VUXZCXKNTAROFC-UHFFFAOYSA-N 0 0 293.282 2.909 40 5 CFBBRN CCOC(=O)N=c1[nH]c2ccc([N+](=O)[O-])cc2s1 ZINC000001573762 371680630 /nfs/dbraw/zinc/68/06/30/371680630.db2.gz YLZSORUEQQIHOV-UHFFFAOYSA-N 0 0 267.266 2.773 40 5 CFBBRN COc1cc2c3cccc4c3n(c(=O)c2cc1OC)CC4 ZINC000000900951 371653870 /nfs/dbraw/zinc/65/38/70/371653870.db2.gz PENHARRUWVHIOQ-UHFFFAOYSA-N 0 0 281.311 2.728 40 5 in-vitro CFBBRN C/C(=C/c1cc2c(cc1Br)OCO2)[N+](=O)[O-] ZINC000001557695 371680082 /nfs/dbraw/zinc/68/00/82/371680082.db2.gz LFCHGSZICRSDHE-KXFIGUGUSA-N 0 0 286.081 2.815 40 5 CFBBRN Cc1nc(Cl)nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000004243428 371844025 /nfs/dbraw/zinc/84/40/25/371844025.db2.gz IRYVALAANUOPPX-UHFFFAOYSA-N 0 0 278.699 2.959 40 5 CFBBRN CN(C)c1cc2c(cc1[N+](=O)[O-])-c1ccccc1[C@H]2O ZINC000004366879 371852556 /nfs/dbraw/zinc/85/25/56/371852556.db2.gz MUWKTNLZZHUCDG-OAHLLOKOSA-N 0 0 270.288 2.723 40 5 CFBBRN O=[N+]([O-])c1ccc(N2CCCCC2)cc1-n1ccnc1 ZINC000010006603 371902895 /nfs/dbraw/zinc/90/28/95/371902895.db2.gz ZUJIPRSLUDSBMS-UHFFFAOYSA-N 0 0 272.308 2.771 40 5 CFBBRN COc1ccc2nc3ccccc3nc2c1NC(C)=O ZINC000032238065 372435730 /nfs/dbraw/zinc/43/57/30/372435730.db2.gz ZXDXBOXMUWJOQM-UHFFFAOYSA-N 0 0 267.288 2.750 40 5 CFBBRN CCN1C(=O)SC(=CNc2cccc([N+](=O)[O-])c2)C1=O ZINC000036636160 372583396 /nfs/dbraw/zinc/58/33/96/372583396.db2.gz YKTMWBZGAJWEHI-YFHOEESVSA-N 0 0 293.304 2.563 40 5 CFBBRN CCN1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000045886021 373036661 /nfs/dbraw/zinc/03/66/61/373036661.db2.gz DJJLQKVNHVCARI-UHFFFAOYSA-N 0 0 283.759 2.699 40 5 CFBBRN O=[N+]([O-])c1ccn(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000067799201 374004164 /nfs/dbraw/zinc/00/41/64/374004164.db2.gz RTYWICWZQZXSLV-UHFFFAOYSA-N 0 0 271.198 2.858 40 5 CFBBRN O=[N+]([O-])c1ccn(Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000067799787 374004557 /nfs/dbraw/zinc/00/45/57/374004557.db2.gz BXRFLULKCABKPU-UHFFFAOYSA-N 0 0 287.197 2.738 40 5 CFBBRN CCc1nnc(Sc2ccc([N+](=O)[O-])cc2C)[nH]1 ZINC000070462272 374183818 /nfs/dbraw/zinc/18/38/18/374183818.db2.gz RLFUGPHWTTZXAC-UHFFFAOYSA-N 0 0 264.310 2.735 40 5 CFBBRN COC(=O)c1ccc(F)cc1Oc1ccc([N+](=O)[O-])nc1 ZINC000098175419 375609061 /nfs/dbraw/zinc/60/90/61/375609061.db2.gz VRXOKVUTEQANNT-UHFFFAOYSA-N 0 0 292.222 2.708 40 5 CFBBRN COc1cc(/C=C(/C)[N+](=O)[O-])cc(Br)c1O ZINC000000076543 169528113 /nfs/dbraw/zinc/52/81/13/169528113.db2.gz QLYHSPFQXJQEPS-UTCJRWHESA-N 0 0 288.097 2.801 40 5 CFBBRN NNC(=S)Nc1ccc2cc3ccccc3nc2c1 ZINC000409189679 380955617 /nfs/dbraw/zinc/95/56/17/380955617.db2.gz MUSGQQPZTZLSJY-UHFFFAOYSA-N 0 0 268.345 2.548 40 5 CFBBRN COC(=O)Cc1cc(C(F)(F)Cl)ccc1[N+](=O)[O-] ZINC000255188174 383477287 /nfs/dbraw/zinc/47/72/87/383477287.db2.gz IVRVOCCBQAHYRQ-UHFFFAOYSA-N 0 0 279.626 2.598 40 5 CFBBRN COC(=O)N(c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000255187387 383477442 /nfs/dbraw/zinc/47/74/42/383477442.db2.gz DEKKBHNSBPGQNH-UHFFFAOYSA-N 0 0 252.270 2.966 40 5 CFBBRN O=[N+]([O-])c1c(Cl)nc(Cl)nc1C(F)(F)F ZINC000026438774 285075900 /nfs/dbraw/zinc/07/59/00/285075900.db2.gz KFEPQCLLGVHBTQ-UHFFFAOYSA-N 0 0 261.974 2.710 40 5 CFBBRN O=[N+]([O-])c1ccc([N+](=O)[O-])c2c1cccc2[N+](=O)[O-] ZINC000100122993 285139533 /nfs/dbraw/zinc/13/95/33/285139533.db2.gz PPJVBBJMDLANLB-UHFFFAOYSA-N 0 0 263.165 2.564 40 5 CFBBRN O=[N+]([O-])c1ccc2ncccc2c1Br ZINC000199795496 285152162 /nfs/dbraw/zinc/15/21/62/285152162.db2.gz ZDPWHCGQTHUHLH-UHFFFAOYSA-N 0 0 253.055 2.906 40 5 CFBBRN O=[N+]([O-])c1ccccc1[C@H]1NCc2ccccc2N1 ZINC000006277034 285165138 /nfs/dbraw/zinc/16/51/38/285165138.db2.gz QPVLRULATPNFKQ-AWEZNQCLSA-N 0 0 255.277 2.809 40 5 CFBBRN O=c1c2ccc([N+](=O)[O-])cc2sn1-c1ccccc1 ZINC000000053430 285209639 /nfs/dbraw/zinc/20/96/39/285209639.db2.gz RXRSFFJGDGLJIJ-UHFFFAOYSA-N 0 0 272.285 2.960 40 5 CFBBRN C[C@H]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000004476034 393457640 /nfs/dbraw/zinc/45/76/40/393457640.db2.gz PMEFUEKECNKNGA-JTQLQIEISA-N 0 0 272.308 2.774 40 5 CFBBRN O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCO3)sc2c1 ZINC000059461255 393624873 /nfs/dbraw/zinc/62/48/73/393624873.db2.gz QPLRNCOYDJLRRD-SECBINFHSA-N 0 0 279.321 2.795 40 5 CFBBRN CCCCCNc1ccc([N+](=O)[O-])cc1-n1cnnc1 ZINC000216750867 393756198 /nfs/dbraw/zinc/75/61/98/393756198.db2.gz WMJDTMPHZNSNAA-UHFFFAOYSA-N 0 0 275.312 2.778 40 5 CFBBRN CCOC(=O)c1cc([N+](=O)[O-])c(OCC)cc1Cl ZINC000225726341 393768752 /nfs/dbraw/zinc/76/87/52/393768752.db2.gz NEDIPLNZCISSMZ-UHFFFAOYSA-N 0 0 273.672 2.824 40 5 CFBBRN COc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]1C ZINC000045886393 286249536 /nfs/dbraw/zinc/24/95/36/286249536.db2.gz XSDJXZBSEWLDRI-SNVBAGLBSA-N 0 0 250.298 2.982 40 5 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0 0 275.271 2.790 40 5 CFBBRN COC(=O)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000071789861 277148297 /nfs/dbraw/zinc/14/82/97/277148297.db2.gz IHHIKOHTZXBYOI-UHFFFAOYSA-N 0 0 250.037 2.688 40 5 CFBBRN COc1ccc2c(=O)c3ccccc3oc2c1OC ZINC000013838739 277941699 /nfs/dbraw/zinc/94/16/99/277941699.db2.gz FRLDTUABMSTGEB-UHFFFAOYSA-N 0 0 256.257 2.963 40 5 biogenic,in-vitro CFBBRN CC1CCN(c2c(Cl)cc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000070462579 278551598 /nfs/dbraw/zinc/55/15/98/278551598.db2.gz GDKMEPPHHLZXNX-UHFFFAOYSA-N 0 0 297.742 2.583 40 5 CFBBRN O=[N+]([O-])c1cnn(Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000067799748 280383852 /nfs/dbraw/zinc/38/38/52/280383852.db2.gz ZQPRVNABNYKEDF-UHFFFAOYSA-N 0 0 289.188 2.998 40 5 CFBBRN O=c1[nH]c2ccccc2c2oc(=O)c3c(c12)CCCC3 ZINC000009704983 280387660 /nfs/dbraw/zinc/38/76/60/280387660.db2.gz VCDVKFWWNIBHAO-UHFFFAOYSA-N 0 0 267.284 2.513 40 5 CFBBRN C[C@H](Nc1ncnc(N)c1[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC000072238788 290064623 /nfs/dbraw/zinc/06/46/23/290064623.db2.gz 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/nfs/dbraw/zinc/69/12/86/371691286.db2.gz ZFVMGQUTPCVCDI-UHFFFAOYSA-N 0 0 286.287 2.766 40 5 CFBBRN CCC1([N+](=O)[O-])COC([C@H](C)c2ccccc2)OC1 ZINC000001685858 371699003 /nfs/dbraw/zinc/69/90/03/371699003.db2.gz QJWJEIAPYSZHGG-LMWSTFAQSA-N 0 0 265.309 2.589 40 5 CFBBRN CCC(CC)N(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000001710460 371700063 /nfs/dbraw/zinc/70/00/63/371700063.db2.gz ROZOKMOJKTVINI-UHFFFAOYSA-N 0 0 294.351 2.954 40 5 CFBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(N)=O)o1 ZINC000057351232 373587865 /nfs/dbraw/zinc/58/78/65/373587865.db2.gz IHYDVJRYMIJCDR-FNORWQNLSA-N 0 0 272.260 2.662 40 5 CFBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(F)(F)F ZINC000003108841 284425561 /nfs/dbraw/zinc/42/55/61/284425561.db2.gz QWPTXILNWGORDX-UHFFFAOYSA-N 0 0 291.210 2.705 40 5 CFBBRN O=[N+]([O-])c1ccc(Sc2n[nH]c(C(F)F)n2)cc1 ZINC000216903196 382784714 /nfs/dbraw/zinc/78/47/14/382784714.db2.gz XELJCWKYRCWZAD-UHFFFAOYSA-N 0 0 272.236 2.802 40 5 CFBBRN CC(=O)c1ccc(Nc2ccccn2)c([N+](=O)[O-])c1 ZINC000225208211 382813582 /nfs/dbraw/zinc/81/35/82/382813582.db2.gz WWSOSRXOUJKKGM-UHFFFAOYSA-N 0 0 257.249 2.936 40 5 CFBBRN CCCCOc1c(C=O)cc([N+](=O)[O-])cc1OCC ZINC000225275667 382813696 /nfs/dbraw/zinc/81/36/96/382813696.db2.gz LEGMVKXHIOGJFC-UHFFFAOYSA-N 0 0 267.281 2.985 40 5 CFBBRN CCCC[C@@]1(C)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 ZINC000225347797 382814675 /nfs/dbraw/zinc/81/46/75/382814675.db2.gz QNFNFCJJCPILCQ-ZDUSSCGKSA-N 0 0 294.380 2.700 40 5 CFBBRN CCCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225990362 382824437 /nfs/dbraw/zinc/82/44/37/382824437.db2.gz NEYNMLBJTLVWGR-UHFFFAOYSA-N 0 0 262.309 2.543 40 5 CFBBRN O=c1cc(O)c2c(O)c3cc(Cl)ccc3[nH]c-2c1 ZINC000006513419 285208288 /nfs/dbraw/zinc/20/82/88/285208288.db2.gz GQJBYJGKXPJLJL-UHFFFAOYSA-N 0 0 261.664 2.746 40 5 CFBBRN Cc1cc([N+](=O)[O-])c(F)cc1I ZINC000096024821 291991655 /nfs/dbraw/zinc/99/16/55/291991655.db2.gz SDLIEZRHWQYVGO-UHFFFAOYSA-N 0 0 281.024 2.647 40 5 CFBBRN CN(C)C(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000001653101 393451682 /nfs/dbraw/zinc/45/16/82/393451682.db2.gz OIQFLGNARGISAQ-UHFFFAOYSA-N 0 0 279.079 2.962 40 5 CFBBRN COC(=O)c1cccc2oc3ccccc3c(=O)c21 ZINC000006482696 393464215 /nfs/dbraw/zinc/46/42/15/393464215.db2.gz TVYUPDGMUPXJQJ-UHFFFAOYSA-N 0 0 254.241 2.733 40 5 CFBBRN C[C@@H]1CN(Cc2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1 ZINC000059459179 393625061 /nfs/dbraw/zinc/62/50/61/393625061.db2.gz FJJWMPMLKHEEKR-PHIMTYICSA-N 0 0 289.335 2.685 40 5 CFBBRN O=[N+]([O-])c1cc(-n2cnnc2)ccc1NC1CCCC1 ZINC000216751874 393755790 /nfs/dbraw/zinc/75/57/90/393755790.db2.gz SRYITWHRCBIXBW-UHFFFAOYSA-N 0 0 273.296 2.530 40 5 CFBBRN CCCOc1c2cc([N+](=O)[O-])ccc2oc1C(=O)OC ZINC000096510852 393834683 /nfs/dbraw/zinc/83/46/83/393834683.db2.gz WLHCSHLUNQGIKE-UHFFFAOYSA-N 0 0 279.248 2.916 40 5 CFBBRN Cc1ccnc(Sc2ccc(C=O)cc2[N+](=O)[O-])n1 ZINC000004299122 169955124 /nfs/dbraw/zinc/95/51/24/169955124.db2.gz HSAWOCXHYITWAS-UHFFFAOYSA-N 0 0 275.289 2.657 40 5 CFBBRN Cc1ccc(Nc2cc(Cl)nc(N)n2)c([N+](=O)[O-])c1 ZINC000004707246 170002990 /nfs/dbraw/zinc/00/29/90/170002990.db2.gz RMMSRLPCCFIWTB-UHFFFAOYSA-N 0 0 279.687 2.672 40 5 CFBBRN COc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000005514695 170106877 /nfs/dbraw/zinc/10/68/77/170106877.db2.gz ZPXMTBWLEIEEBP-UHFFFAOYSA-N 0 0 272.260 2.856 40 5 CFBBRN O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC1CCCCC1 ZINC000006093521 170175813 /nfs/dbraw/zinc/17/58/13/170175813.db2.gz ZBAHWUPMIUQRQO-SOFGYWHQSA-N 0 0 264.281 2.650 40 5 CFBBRN COc1cc(CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000008727776 170349934 /nfs/dbraw/zinc/34/99/34/170349934.db2.gz MBOUNAKTOGNNAX-UHFFFAOYSA-N 0 0 289.287 2.675 40 5 CFBBRN Cc1cc(C(=O)N[C@@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000018227406 170748673 /nfs/dbraw/zinc/74/86/73/170748673.db2.gz LBDFJEBSYCHKFC-JTQLQIEISA-N 0 0 250.298 2.678 40 5 CFBBRN O=[N+]([O-])c1ccc(-c2nc3cc(NCCO)ccc3[nH]2)cc1 ZINC000045206850 175328399 /nfs/dbraw/zinc/32/83/99/175328399.db2.gz ZFAMDUOCYPBONI-UHFFFAOYSA-N 0 0 298.302 2.542 40 5 CFBBRN NC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000045920741 175386598 /nfs/dbraw/zinc/38/65/98/175386598.db2.gz QJYOUGOQOWPWME-UHFFFAOYSA-N 0 0 266.640 2.607 40 5 CFBBRN CCOC(=O)c1cnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000142704881 276301134 /nfs/dbraw/zinc/30/11/34/276301134.db2.gz KGHDFTIXWQUFMF-UHFFFAOYSA-N 0 0 278.289 2.895 40 5 CFBBRN Nc1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000216926001 279702486 /nfs/dbraw/zinc/70/24/86/279702486.db2.gz CAHVTLRJEZTTAY-UHFFFAOYSA-N 0 0 255.233 2.985 40 5 CFBBRN C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000216765951 297076764 /nfs/dbraw/zinc/07/67/64/297076764.db2.gz DGXSZBYIBIWSJN-DTORHVGOSA-N 0 0 270.716 2.862 40 5 CFBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000000452176 326792381 /nfs/dbraw/zinc/79/23/81/326792381.db2.gz VFXUIIYBPXCKII-DZYLTDJJSA-N 0 0 286.331 2.913 40 5 CFBBRN O=[N+]([O-])c1ccc(OCc2nc(-c3ccco3)n[nH]2)cc1 ZINC000062719632 527374265 /nfs/dbraw/zinc/37/42/65/527374265.db2.gz 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ZINC000017060357 372128052 /nfs/dbraw/zinc/12/80/52/372128052.db2.gz ZUDHIXXMRPWTMZ-UHFFFAOYSA-N 0 0 296.326 2.572 40 5 CFBBRN O=[N+]([O-])c1cnn(Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000067799819 374004611 /nfs/dbraw/zinc/00/46/11/374004611.db2.gz QLGCTMUJPNPUBS-UHFFFAOYSA-N 0 0 287.197 2.738 40 5 CFBBRN CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000103785642 375759409 /nfs/dbraw/zinc/75/94/09/375759409.db2.gz IOSCBTCIPWSWDW-UHFFFAOYSA-N 0 0 257.677 2.780 40 5 CFBBRN NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408927190 380950330 /nfs/dbraw/zinc/95/03/30/380950330.db2.gz YOJFNYNYIRPYHM-GXDHUFHOSA-N 0 0 268.272 2.621 40 5 CFBBRN O=C(c1ccc([N+](=O)[O-])cc1)n1cc(CO)c2ccccc21 ZINC000216960586 382785295 /nfs/dbraw/zinc/78/52/95/382785295.db2.gz ZLIOUMPAOJUUJF-UHFFFAOYSA-N 0 0 296.282 2.730 40 5 CFBBRN O=[N+]([O-])c1cc(Br)c(Cl)c([N+](=O)[O-])c1 ZINC000029490869 285081951 /nfs/dbraw/zinc/08/19/51/285081951.db2.gz DWZNTFFZRWJFSU-UHFFFAOYSA-N 0 0 281.449 2.919 40 5 CFBBRN O=[N+]([O-])c1ccccc1[C@@H]1NCc2ccccc2N1 ZINC000006277035 285165335 /nfs/dbraw/zinc/16/53/35/285165335.db2.gz QPVLRULATPNFKQ-CQSZACIVSA-N 0 0 255.277 2.809 40 5 CFBBRN CC(C)(C)C(=O)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000009140412 393471115 /nfs/dbraw/zinc/47/11/15/393471115.db2.gz VITMLYYGDDVSFJ-UHFFFAOYSA-N 0 0 299.327 2.593 40 5 CFBBRN COc1c(F)c(F)c(Br)cc1[N+](=O)[O-] ZINC000169800499 286184512 /nfs/dbraw/zinc/18/45/12/286184512.db2.gz UCQQZWAOJAPIFT-UHFFFAOYSA-N 0 0 268.013 2.644 40 5 CFBBRN COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCC[C@H]1C ZINC000045886620 286248688 /nfs/dbraw/zinc/24/86/88/286248688.db2.gz FJDYJMREPVFLKM-SECBINFHSA-N 0 0 295.295 2.890 40 5 CFBBRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000001726954 169751355 /nfs/dbraw/zinc/75/13/55/169751355.db2.gz QPVOIOQTAFAYFT-UHFFFAOYSA-N 0 0 256.261 2.776 40 5 CFBBRN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000001750751 169754453 /nfs/dbraw/zinc/75/44/53/169754453.db2.gz CAQREJSVODBDNT-ZETCQYMHSA-N 0 0 273.672 2.579 40 5 CFBBRN CC(=O)N(c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000004773608 170014679 /nfs/dbraw/zinc/01/46/79/170014679.db2.gz AEKUSBAGWLQGRN-UHFFFAOYSA-N 0 0 257.249 2.674 40 5 CFBBRN CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000005467711 170102147 /nfs/dbraw/zinc/10/21/47/170102147.db2.gz DVKLVJIMRZKWAM-SSDOTTSWSA-N 0 0 256.689 2.777 40 5 CFBBRN O=C(c1cccs1)n1ncc2cc([N+](=O)[O-])ccc21 ZINC000006226248 170184095 /nfs/dbraw/zinc/18/40/95/170184095.db2.gz OZHYDFNXMSKTQP-UHFFFAOYSA-N 0 0 273.273 2.695 40 5 CFBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C1CC1 ZINC000006335412 170193264 /nfs/dbraw/zinc/19/32/64/170193264.db2.gz QQXXKKCRHRSUIR-UHFFFAOYSA-N 0 0 263.278 2.553 40 5 CFBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C1CC1 ZINC000006796545 170244757 /nfs/dbraw/zinc/24/47/57/170244757.db2.gz INDLNLMHBALGIZ-UHFFFAOYSA-N 0 0 254.673 2.905 40 5 CFBBRN CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000022124587 171353794 /nfs/dbraw/zinc/35/37/94/171353794.db2.gz YMXCLGALMFSYTM-UHFFFAOYSA-N 0 0 278.308 2.762 40 5 CFBBRN CC(C)[C@@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000045799002 175383868 /nfs/dbraw/zinc/38/38/68/175383868.db2.gz HHBMTXPRVYCVAG-WSKFYRRCSA-N 0 0 262.309 2.769 40 5 CFBBRN CC(C)(C)OC(=O)Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC000071610983 176231763 /nfs/dbraw/zinc/23/17/63/176231763.db2.gz HPHSUQOLNNGRRD-UHFFFAOYSA-N 0 0 273.676 2.990 40 5 CFBBRN O=[N+]([O-])c1c(Br)ncc(F)c1Br ZINC000002546089 280353272 /nfs/dbraw/zinc/35/32/72/280353272.db2.gz RUKHOWBZNXYATH-UHFFFAOYSA-N 0 0 299.881 2.654 40 5 CFBBRN Cc1cc(I)ccc1[N+](=O)[O-] ZINC000039643213 280536117 /nfs/dbraw/zinc/53/61/17/280536117.db2.gz KLFPWAALRHXSRR-UHFFFAOYSA-N 0 0 263.034 2.508 40 5 CFBBRN CCCc1nnc(Sc2ccc([N+](=O)[O-])cn2)n1CC ZINC000007365890 346218468 /nfs/dbraw/zinc/21/84/68/346218468.db2.gz DTDKLIMEEGSKAU-UHFFFAOYSA-N 0 0 293.352 2.705 40 5 CFBBRN COCCNC(=O)Nc1cc2ncccc2c2cccnc12 ZINC000104385595 347725345 /nfs/dbraw/zinc/72/53/45/347725345.db2.gz KDJKSGCMNZDZAS-UHFFFAOYSA-N 0 0 296.330 2.551 40 5 CFBBRN O=C1COc2ccccc2N1Cc1ccccc1[N+](=O)[O-] ZINC000149946471 347954597 /nfs/dbraw/zinc/95/45/97/347954597.db2.gz MDKCJTOKOYINCB-UHFFFAOYSA-N 0 0 284.271 2.520 40 5 CFBBRN O=[N+]([O-])c1cc(-n2cnnc2)ccc1NCc1ccccc1 ZINC000216751812 189706234 /nfs/dbraw/zinc/70/62/34/189706234.db2.gz GKNAYJCDOFRZGQ-UHFFFAOYSA-N 0 0 295.302 2.788 40 5 CFBBRN Cc1cc(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)cn1 ZINC000000327781 371588106 /nfs/dbraw/zinc/58/81/06/371588106.db2.gz MKKSVVQDFJSJTB-UHFFFAOYSA-N 0 0 256.261 2.838 40 5 CFBBRN CCC1([N+](=O)[O-])COC([C@@H](C)c2ccccc2)OC1 ZINC000001685857 371698042 /nfs/dbraw/zinc/69/80/42/371698042.db2.gz QJWJEIAPYSZHGG-XGNXJENSSA-N 0 0 265.309 2.589 40 5 CFBBRN CC1(C)[C@H]2C[C@@H]1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000001710064 371700681 /nfs/dbraw/zinc/70/06/81/371700681.db2.gz XBWOJGUEAUUTGI-CYZMBNFOSA-N 0 0 274.320 2.759 40 5 CFBBRN Cc1cc(C=O)c(C)n1Nc1ccc([N+](=O)[O-])cc1 ZINC000013633524 372037803 /nfs/dbraw/zinc/03/78/03/372037803.db2.gz XEHIDQVMCHOPJY-UHFFFAOYSA-N 0 0 259.265 2.701 40 5 CFBBRN CCOC(=O)c1ccc(N(CC)CC)c([N+](=O)[O-])c1 ZINC000022124541 372243784 /nfs/dbraw/zinc/24/37/84/372243784.db2.gz KASTYZALUUQEPV-UHFFFAOYSA-N 0 0 266.297 2.618 40 5 CFBBRN CCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000039424456 372778308 /nfs/dbraw/zinc/77/83/08/372778308.db2.gz ZQYLPVMDRALBFI-SSDOTTSWSA-N 0 0 257.673 2.915 40 5 CFBBRN CC(C)Nc1nccc(Br)c1[N+](=O)[O-] ZINC000039956539 372779904 /nfs/dbraw/zinc/77/99/04/372779904.db2.gz FOGVKHICHZLTGD-UHFFFAOYSA-N 0 0 260.091 2.573 40 5 CFBBRN COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCCC1 ZINC000045886629 373036227 /nfs/dbraw/zinc/03/62/27/373036227.db2.gz ABJQFLOSAITQLK-UHFFFAOYSA-N 0 0 281.268 2.502 40 5 CFBBRN COc1ccc(NC(=O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000009141560 184533329 /nfs/dbraw/zinc/53/33/29/184533329.db2.gz KOJOGNTVJDSCDL-UHFFFAOYSA-N 0 0 290.250 2.995 40 5 CFBBRN Cc1cn(Cc2ccccc2)c(=O)c([N+](=O)[O-])c1Cl ZINC000225738555 382820931 /nfs/dbraw/zinc/82/09/31/382820931.db2.gz GJTSZPHELVOQMO-UHFFFAOYSA-N 0 0 278.695 2.767 40 5 CFBBRN O=C1c2ccc([N+](=O)[O-])cc2-c2cc([N+](=O)[O-])ccc21 ZINC000001556209 285016609 /nfs/dbraw/zinc/01/66/09/285016609.db2.gz YJIIVEMHOBHHJL-UHFFFAOYSA-N 0 0 270.200 2.714 40 5 CFBBRN O=[N+]([O-])c1ccc2[nH]cc(I)c2c1 ZINC000044138497 285141444 /nfs/dbraw/zinc/14/14/44/285141444.db2.gz YRJOAOLHLHTRDC-UHFFFAOYSA-N 0 0 288.044 2.681 40 5 CFBBRN O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCOCC1)c1ccccc1-2 ZINC000031614015 285144478 /nfs/dbraw/zinc/14/44/78/285144478.db2.gz RTLWPJTYYBGPBW-QGZVFWFLSA-N 0 0 296.326 2.997 40 5 CFBBRN C=C1C(c2ccc([N+](=O)[O-])cc2)C=C(N)C1C(=O)OCC ZINC000095092953 184941519 /nfs/dbraw/zinc/94/15/19/184941519.db2.gz PHUAJPIDHCOHBB-UHFFFAOYSA-N 0 0 288.303 2.548 40 5 CFBBRN Cc1ccc(/C=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)o1 ZINC000004543008 393459079 /nfs/dbraw/zinc/45/90/79/393459079.db2.gz QFJIFXUXDNARDW-GHXNOFRVSA-N 0 0 270.244 2.989 40 5 CFBBRN O=[N+]([O-])c1nccc2c(Br)cccc21 ZINC000072206987 393642613 /nfs/dbraw/zinc/64/26/13/393642613.db2.gz NQVFXQBKVSLJID-UHFFFAOYSA-N 0 0 253.055 2.906 40 5 CFBBRN COc1c(F)c(Br)ccc1[N+](=O)[O-] ZINC000116834295 286184480 /nfs/dbraw/zinc/18/44/80/286184480.db2.gz HYBHCCQAQBFKLQ-UHFFFAOYSA-N 0 0 250.023 2.505 40 5 CFBBRN O=C(Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000001704818 169746341 /nfs/dbraw/zinc/74/63/41/169746341.db2.gz ZDRZEQPQKMCMDH-UHFFFAOYSA-N 0 0 285.255 2.749 40 5 CFBBRN CC(=O)c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1 ZINC000008147288 170321639 /nfs/dbraw/zinc/32/16/39/170321639.db2.gz BVCIDGORDWGQLN-UHFFFAOYSA-N 0 0 271.276 2.805 40 5 CFBBRN CC(C)(C)C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000008555968 170340225 /nfs/dbraw/zinc/34/02/25/170340225.db2.gz GWTJITKTHOIILG-UHFFFAOYSA-N 0 0 299.327 2.593 40 5 CFBBRN O=Cc1cccn1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008702395 170347501 /nfs/dbraw/zinc/34/75/01/170347501.db2.gz YEILRYZBPHAGGC-UHFFFAOYSA-N 0 0 285.303 2.798 40 5 CFBBRN Cc1ccc(C(=O)N(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000022517004 171389610 /nfs/dbraw/zinc/38/96/10/171389610.db2.gz ZTXGTTIFAJNIIG-UHFFFAOYSA-N 0 0 262.309 2.918 40 5 CFBBRN Cc1cnc(NCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000039956753 174179074 /nfs/dbraw/zinc/17/90/74/174179074.db2.gz CJOPMFXQAYPAJL-UHFFFAOYSA-N 0 0 288.263 2.819 40 5 CFBBRN COC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000057351214 175593471 /nfs/dbraw/zinc/59/34/71/175593471.db2.gz ZVZQSLQPYQUYBC-UHFFFAOYSA-N 0 0 261.233 2.950 40 5 CFBBRN Nc1nc(-c2ccco2)cc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000071977400 176307444 /nfs/dbraw/zinc/30/74/44/176307444.db2.gz PDZHCQYEZIJADN-UHFFFAOYSA-N 0 0 282.259 2.894 40 5 CFBBRN O=[N+]([O-])c1ccccc1Sc1n[nH]c(C(F)(F)F)n1 ZINC000078406538 177338842 /nfs/dbraw/zinc/33/88/42/177338842.db2.gz MNVXAGHCLJQPKQ-UHFFFAOYSA-N 0 0 290.226 2.883 40 5 CFBBRN O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@@H]1CO1 ZINC000231640713 260206148 /nfs/dbraw/zinc/20/61/48/260206148.db2.gz JBZCUOLQCPKARX-YFKPBYRVSA-N 0 0 264.064 2.679 40 5 CFBBRN O=[N+]([O-])c1ccc2c(c1)nnn2-c1ccc(Cl)cc1 ZINC000066089236 275038665 /nfs/dbraw/zinc/03/86/65/275038665.db2.gz VMXKJJJXRHWLBZ-UHFFFAOYSA-N 0 0 274.667 2.982 40 5 CFBBRN CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000045885953 277112131 /nfs/dbraw/zinc/11/21/31/277112131.db2.gz CFHWVMSKQKIKIB-UHFFFAOYSA-N 0 0 290.150 2.653 40 5 CFBBRN COC(=O)c1c([N+](=O)[O-])c(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000005511226 277417962 /nfs/dbraw/zinc/41/79/62/277417962.db2.gz TXJLHUQSZNJOAY-UHFFFAOYSA-N 0 0 295.034 2.596 40 5 CFBBRN COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1N ZINC000216926319 277862313 /nfs/dbraw/zinc/86/23/13/277862313.db2.gz UCCCPWPFWNZTLC-UHFFFAOYSA-N 0 0 285.259 2.994 40 5 CFBBRN CC(C)(C)Cc1nnc(COc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000062719675 518698378 /nfs/dbraw/zinc/69/83/78/518698378.db2.gz YSHYJIKQKZGBEN-UHFFFAOYSA-N 0 0 290.323 2.881 40 5 CFBBRN CN(C)NC(=S)Nc1ccc2nc3ccccc3nc2c1 ZINC000408977107 230410906 /nfs/dbraw/zinc/41/09/06/230410906.db2.gz VDOCRVBGGGZBSP-UHFFFAOYSA-N 0 0 297.387 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