smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c2cccnc12 ZINC000031094878 202202872 /nfs/dbraw/zinc/20/28/72/202202872.db2.gz ASNKUKMLRFUGOX-UHFFFAOYSA-N 0 0 337.335 3.469 50 5 EGBARN O=C1CCC(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000198375 201446893 /nfs/dbraw/zinc/44/68/93/201446893.db2.gz QBEQLUJXBCLXHV-UHFFFAOYSA-N 0 0 328.349 3.399 50 5 EGBARN COc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000004184105 201593311 /nfs/dbraw/zinc/59/33/11/201593311.db2.gz BENRVTLOHUZKHZ-UHFFFAOYSA-N 0 0 349.774 3.099 50 5 EGBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004673065 201610682 /nfs/dbraw/zinc/61/06/82/201610682.db2.gz NNBIDKUXLBDKOL-UHFFFAOYSA-N 0 0 335.703 3.338 50 5 EGBARN CCN(CC)c1cc(Nc2cccc(O)c2)c([N+](=O)[O-])c2nonc21 ZINC000005035140 201634771 /nfs/dbraw/zinc/63/47/71/201634771.db2.gz FHSNUQVZQRHUDP-UHFFFAOYSA-N 0 0 343.343 3.426 50 5 EGBARN CC(=O)N(C)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000000455778 258048274 /nfs/dbraw/zinc/04/82/74/258048274.db2.gz YANWHKOICYIFCA-UHFFFAOYSA-N 0 0 347.758 3.483 50 5 EGBARN Cc1cccc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000000432956 135650362 /nfs/dbraw/zinc/65/03/62/135650362.db2.gz FCFLCSLCJSMDSP-UHFFFAOYSA-N 0 0 339.395 3.174 50 5 EGBARN Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCCCCC3)n2)c1 ZINC000009328471 281248886 /nfs/dbraw/zinc/24/88/86/281248886.db2.gz MVDQICWILMOHPI-UHFFFAOYSA-N 0 0 342.403 3.399 50 5 EGBARN Cc1ccnc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)c1 ZINC000000089171 281452919 /nfs/dbraw/zinc/45/29/19/281452919.db2.gz ABGNBUFUIFDYCP-UHFFFAOYSA-N 0 0 333.303 3.252 50 5 EGBARN Cc1oc2c(ccc3c2OCCO3)c(=O)c1-c1ccc([N+](=O)[O-])cc1 ZINC000000494784 294039649 /nfs/dbraw/zinc/03/96/49/294039649.db2.gz NTNZHMPSASCYOH-UHFFFAOYSA-N 0 0 339.303 3.448 50 5 EGBARN CCc1ccccc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000000060854 452495880 /nfs/dbraw/zinc/49/58/80/452495880.db2.gz WYCNMICMTXYBHN-UHFFFAOYSA-N 0 0 328.324 3.196 50 5 EGBARN COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000000435977 452590483 /nfs/dbraw/zinc/59/04/83/452590483.db2.gz ITJQWAPFYOTFMJ-UHFFFAOYSA-N 0 0 341.323 3.253 50 5 EGBARN CCOC(=O)c1ccc(COC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000462151 452598652 /nfs/dbraw/zinc/59/86/52/452598652.db2.gz JQEKQANYYWFBAZ-UHFFFAOYSA-N 0 0 329.308 3.129 50 5 EGBARN CCOC(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000461943 452598761 /nfs/dbraw/zinc/59/87/61/452598761.db2.gz VYZKOMJOOMBJRM-UHFFFAOYSA-N 0 0 329.308 3.129 50 5 EGBARN O=C1N[C@@H](c2ccc([N+](=O)[O-])s2)Nc2c3c(sc21)CCCC3 ZINC000000484863 452606494 /nfs/dbraw/zinc/60/64/94/452606494.db2.gz FGKBWVQDNCOGAN-ZDUSSCGKSA-N 0 0 335.410 3.451 50 5 EGBARN O=C(CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)N1CCCCC1 ZINC000000619939 452632872 /nfs/dbraw/zinc/63/28/72/452632872.db2.gz CSMARQGTPPNSNX-UHFFFAOYSA-N 0 0 346.412 3.090 50 5 EGBARN O=C(NC1CCCCCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000002833725 452728135 /nfs/dbraw/zinc/72/81/35/452728135.db2.gz FRSFDDPCURTBTI-UHFFFAOYSA-N 0 0 330.340 3.154 50 5 EGBARN O=C(Nc1nc2ccccc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003194966 452748580 /nfs/dbraw/zinc/74/85/80/452748580.db2.gz SQHOJVIPMSCGNN-UHFFFAOYSA-N 0 0 344.308 3.365 50 5 EGBARN CC(=O)c1sc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)nc1C ZINC000004078850 452792170 /nfs/dbraw/zinc/79/21/70/452792170.db2.gz KTSMYMSKQIMYQL-VMPITWQZSA-N 0 0 331.353 3.214 50 5 EGBARN O=C(CSCc1ccccc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000004184491 452797700 /nfs/dbraw/zinc/79/77/00/452797700.db2.gz ZJXBZRFUWYWJIM-UHFFFAOYSA-N 0 0 345.424 3.056 50 5 EGBARN CCOC(=O)COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 ZINC000004511279 452806315 /nfs/dbraw/zinc/80/63/15/452806315.db2.gz POQXQHFBKTZJBY-RMKNXTFCSA-N 0 0 332.312 3.004 50 5 EGBARN O=C1S/C(=C/c2ccncc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000004674700 452812477 /nfs/dbraw/zinc/81/24/77/452812477.db2.gz MXDPAODSROHFOM-NTEUORMPSA-N 0 0 341.348 3.226 50 5 EGBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(Cc2ccccc2)c1=O ZINC000004940223 452828026 /nfs/dbraw/zinc/82/80/26/452828026.db2.gz UPOUSOKOWHVCMX-UHFFFAOYSA-N 0 0 349.346 3.057 50 5 EGBARN COc1ccc(-c2ccc(/C=C3\SC(=N)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000005027427 452831798 /nfs/dbraw/zinc/83/17/98/452831798.db2.gz VIGJVXIJBLVADG-QPEQYQDCSA-N 0 0 345.336 3.002 50 5 EGBARN Nc1nc(NC2CCCCC2)nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000006716018 452976207 /nfs/dbraw/zinc/97/62/07/452976207.db2.gz FTUIADNERCXPSH-UHFFFAOYSA-N 0 0 342.403 3.324 50 5 EGBARN CC(C)c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccccc1 ZINC000006767984 452985771 /nfs/dbraw/zinc/98/57/71/452985771.db2.gz AJTVCXKJEWUISC-UHFFFAOYSA-N 0 0 345.402 3.361 50 5 EGBARN Cc1ccc(-c2nn3c(nnc3-c3ccco3)s2)cc1[N+](=O)[O-] ZINC000009227263 453245967 /nfs/dbraw/zinc/24/59/67/453245967.db2.gz VFEUHMJEYFZHBR-UHFFFAOYSA-N 0 0 327.325 3.329 50 5 EGBARN Cn1cc([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000097954470 454447963 /nfs/dbraw/zinc/44/79/63/454447963.db2.gz FIPSIEAHWCPDJI-OAHLLOKOSA-N 0 0 349.346 3.134 50 5 EGBARN O=[N+]([O-])c1cc(Sc2ccc(Cl)cc2)cc(-n2cnnn2)c1 ZINC000012374653 518202995 /nfs/dbraw/zinc/20/29/95/518202995.db2.gz LVVXHRBZLUSOIE-UHFFFAOYSA-N 0 0 333.760 3.375 50 5 EGBARN CC(=O)N1N=C(c2ccc(C)cc2)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000041097675 202472808 /nfs/dbraw/zinc/47/28/08/202472808.db2.gz AWMDWTWAUSQNDC-KRWDZBQOSA-N 0 0 325.324 3.142 50 5 EGBARN CCn1nc(C)c([N+](=O)[O-])c1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000121708 201436921 /nfs/dbraw/zinc/43/69/21/201436921.db2.gz CJQIVIIAAPXYJI-UHFFFAOYSA-N 0 0 342.277 3.391 50 5 EGBARN COc1ccccc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000126818 201437661 /nfs/dbraw/zinc/43/76/61/201437661.db2.gz KXDOHPWYTCJZIK-UHFFFAOYSA-N 0 0 329.337 3.465 50 5 EGBARN COc1cc(C(=O)N[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000000445321 201474351 /nfs/dbraw/zinc/47/43/51/201474351.db2.gz BJIHMTACCDUQCT-LLVKDONJSA-N 0 0 330.340 3.103 50 5 EGBARN CCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc21 ZINC000000527806 201483993 /nfs/dbraw/zinc/48/39/93/201483993.db2.gz RLTLXQYERPJJEF-UHFFFAOYSA-N 0 0 335.363 3.309 50 5 EGBARN O=C(Nc1nnc(Cc2ccccc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000000616902 201491029 /nfs/dbraw/zinc/49/10/29/201491029.db2.gz MNTFPGHLMOOBND-UHFFFAOYSA-N 0 0 340.364 3.289 50 5 EGBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@]1(C)c1ccc(F)cc1 ZINC000001432238 201509105 /nfs/dbraw/zinc/50/91/05/201509105.db2.gz OSHQHFXJELKXCI-KRWDZBQOSA-N 0 0 343.314 3.147 50 5 EGBARN COc1cccc(OC)c1OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000002991071 201553823 /nfs/dbraw/zinc/55/38/23/201553823.db2.gz NGCSBQPODUNKTF-UHFFFAOYSA-N 0 0 333.340 3.460 50 5 EGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(F)cc1 ZINC000004496768 201603007 /nfs/dbraw/zinc/60/30/07/201603007.db2.gz MZYZNQLRFFATGQ-UHFFFAOYSA-N 0 0 336.344 3.473 50 5 EGBARN CCc1cccc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000004056697 201587337 /nfs/dbraw/zinc/58/73/37/201587337.db2.gz KUOUSDNBZIEXIM-UHFFFAOYSA-N 0 0 330.340 3.183 50 5 EGBARN O=C(Nc1nc(-c2cccnc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000004138500 201591791 /nfs/dbraw/zinc/59/17/91/201591791.db2.gz BSCUZBHFWNRVET-UHFFFAOYSA-N 0 0 326.337 3.366 50 5 EGBARN Cc1cc(Nc2ccc(Cl)cc2)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000005251722 201644596 /nfs/dbraw/zinc/64/45/96/201644596.db2.gz XHRVNXZTYFLJMD-UHFFFAOYSA-N 0 0 330.735 3.276 50 5 EGBARN Cc1nc2cc([N+](=O)[O-])cc(Sc3ccccc3)c2c(=O)n1C ZINC000006667994 201689902 /nfs/dbraw/zinc/68/99/02/201689902.db2.gz XZJZPZFTKAZOMR-UHFFFAOYSA-N 0 0 327.365 3.301 50 5 EGBARN COc1ccc(C2=Nc3ncnn3[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000101084820 204001148 /nfs/dbraw/zinc/00/11/48/204001148.db2.gz FFOQBYCSXBXRFX-KRWDZBQOSA-N 0 0 349.350 3.251 50 5 EGBARN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cccc(F)c1 ZINC000005400690 205764764 /nfs/dbraw/zinc/76/47/64/205764764.db2.gz ATRDRQHZUHZVJX-UHFFFAOYSA-N 0 0 325.299 3.006 50 5 EGBARN COc1cc(OC(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1C=O ZINC000004795390 210279806 /nfs/dbraw/zinc/27/98/06/210279806.db2.gz QPCOKKJYHVFIRM-UHFFFAOYSA-N 0 0 346.295 3.035 50 5 EGBARN O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3[C@@H]4[C@H]5[C@@H]([C@H]6C[C@H]6[C@@H]35)[C@@H]42)c([N+](=O)[O-])c1 ZINC000230115705 257843547 /nfs/dbraw/zinc/84/35/47/257843547.db2.gz NEBJMRBTFOQIIY-DYWMGMPTSA-N 0 0 342.351 3.166 50 5 EGBARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2c(n[nH]c2-c2ccccc2)O1 ZINC000004626543 280273597 /nfs/dbraw/zinc/27/35/97/280273597.db2.gz DURBABSIFAICOS-CQSZACIVSA-N 0 0 335.319 3.426 50 5 EGBARN O=[N+]([O-])c1ccc(I)c(OC(F)(F)F)c1 ZINC000263622771 280365305 /nfs/dbraw/zinc/36/53/05/280365305.db2.gz ATXCTGKQRONVBY-UHFFFAOYSA-N 0 0 333.003 3.098 50 5 EGBARN COc1ccc(CSCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000000064444 452495663 /nfs/dbraw/zinc/49/56/63/452495663.db2.gz XXKITQMPMORORL-UHFFFAOYSA-N 0 0 332.381 3.475 50 5 EGBARN Nc1ncn(-c2ccc(Cl)cc2)c1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000178947 452529146 /nfs/dbraw/zinc/52/91/46/452529146.db2.gz AQXVGAUGXMAAKI-UHFFFAOYSA-N 0 0 342.742 3.247 50 5 EGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000196135 452533739 /nfs/dbraw/zinc/53/37/39/452533739.db2.gz WOTJIYYQGRBACA-UHFFFAOYSA-N 0 0 345.786 3.211 50 5 EGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1ncnc2[nH]cnc21 ZINC000000208476 452536664 /nfs/dbraw/zinc/53/66/64/452536664.db2.gz RVSKYPFPZQREND-UHFFFAOYSA-N 0 0 341.274 3.431 50 5 EGBARN Cc1nn(CCCC(=O)Nc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000000215089 452539948 /nfs/dbraw/zinc/53/99/48/452539948.db2.gz XEXFNFGBRSBHEJ-UHFFFAOYSA-N 0 0 336.779 3.480 50 5 EGBARN C[C@H]1CN(C(=O)c2ccccc2)O[C@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000000354210 452568681 /nfs/dbraw/zinc/56/86/81/452568681.db2.gz APMPIMUHXGXVJY-YVEFUNNKSA-N 0 0 328.324 3.086 50 5 EGBARN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000451117 452594954 /nfs/dbraw/zinc/59/49/54/452594954.db2.gz IZHCTWJTPZOUJO-NSHDSACASA-N 0 0 330.340 3.103 50 5 EGBARN Cc1cc(O)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000000456103 452596623 /nfs/dbraw/zinc/59/66/23/452596623.db2.gz QZNZPUYULNUNSO-UHFFFAOYSA-N 0 0 345.380 3.044 50 5 EGBARN CSc1ccccc1NC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000001067217 452644355 /nfs/dbraw/zinc/64/43/55/452644355.db2.gz ZDVAAXLNQFMLOS-LLVKDONJSA-N 0 0 334.401 3.330 50 5 EGBARN COc1ccc(C(=O)COc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000002881028 452734083 /nfs/dbraw/zinc/73/40/83/452734083.db2.gz OFOKRIHGAXRECE-UHFFFAOYSA-N 0 0 338.319 3.413 50 5 EGBARN COc1cc(C=O)ccc1OCCCOc1ccccc1[N+](=O)[O-] ZINC000002985658 452737949 /nfs/dbraw/zinc/73/79/49/452737949.db2.gz AWWQIGSBFWKANC-UHFFFAOYSA-N 0 0 331.324 3.264 50 5 EGBARN CCOc1ccc(NC(=O)COc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000003897679 452788147 /nfs/dbraw/zinc/78/81/47/452788147.db2.gz SFKRYYQVOQEHKM-UHFFFAOYSA-N 0 0 330.340 3.319 50 5 EGBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2F)c1 ZINC000003885279 452789099 /nfs/dbraw/zinc/78/90/99/452789099.db2.gz PRFDEVCGOZKYFW-UHFFFAOYSA-N 0 0 330.724 3.188 50 5 EGBARN COc1ccc(NC(=O)COc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004037073 452790467 /nfs/dbraw/zinc/79/04/67/452790467.db2.gz YRUGCYQGTLXSNX-UHFFFAOYSA-N 0 0 336.731 3.274 50 5 EGBARN CC(C)c1ccccc1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 ZINC000004455730 452804691 /nfs/dbraw/zinc/80/46/91/452804691.db2.gz OEZWVRUITLZYGR-UHFFFAOYSA-N 0 0 345.380 3.279 50 5 EGBARN COc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000004668240 452813565 /nfs/dbraw/zinc/81/35/65/452813565.db2.gz BFRWUCIWGKGCBL-UHFFFAOYSA-N 0 0 341.367 3.456 50 5 EGBARN Cc1ccc([N+](=O)[O-])c(OCCCn2cnc3ccccc3c2=O)c1 ZINC000004842546 452821756 /nfs/dbraw/zinc/82/17/56/452821756.db2.gz OIOUMBYYODPEGT-UHFFFAOYSA-N 0 0 339.351 3.082 50 5 EGBARN CCOC(=O)[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000004866395 452823212 /nfs/dbraw/zinc/82/32/12/452823212.db2.gz PAJPHRGDUGMOGZ-HNNXBMFYSA-N 0 0 334.372 3.293 50 5 EGBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1Cl ZINC000004892054 452823694 /nfs/dbraw/zinc/82/36/94/452823694.db2.gz MDUPJOKUMNZRSK-UHFFFAOYSA-N 0 0 335.703 3.338 50 5 EGBARN O=C(COc1ccccc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2 ZINC000004950417 452826776 /nfs/dbraw/zinc/82/67/76/452826776.db2.gz UNPNAEUZPKSZCT-UHFFFAOYSA-N 0 0 330.384 3.059 50 5 EGBARN O=[N+]([O-])c1nc(-n2ccnc2)n(C(c2ccccc2)c2ccccc2)n1 ZINC000005026974 452831398 /nfs/dbraw/zinc/83/13/98/452831398.db2.gz QXYWSWVSFQETJB-UHFFFAOYSA-N 0 0 346.350 3.010 50 5 EGBARN CCOc1ccc(NC(=O)c2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000005007131 452831659 /nfs/dbraw/zinc/83/16/59/452831659.db2.gz TYPGCZQHWMHWDQ-UHFFFAOYSA-N 0 0 346.339 3.263 50 5 EGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc(NC(C)=O)c1 ZINC000005060602 452833789 /nfs/dbraw/zinc/83/37/89/452833789.db2.gz GVBRZUWEVZRBAU-UHFFFAOYSA-N 0 0 344.327 3.206 50 5 EGBARN Nc1nc(NCc2ccccc2)nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000005100769 452835195 /nfs/dbraw/zinc/83/51/95/452835195.db2.gz XCYSOAMZJJDWRE-UHFFFAOYSA-N 0 0 342.403 3.324 50 5 EGBARN O=C(Nc1ccccc1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270677 452854749 /nfs/dbraw/zinc/85/47/49/452854749.db2.gz UVMXFNKTJOSYMC-UHFFFAOYSA-N 0 0 349.346 3.057 50 5 EGBARN Cc1cc(C(=O)Cn2c(C)ncc2[N+](=O)[O-])c(C)n1Cc1ccco1 ZINC000008990742 453239373 /nfs/dbraw/zinc/23/93/73/453239373.db2.gz QQDMWXPKBQQYLE-UHFFFAOYSA-N 0 0 342.355 3.042 50 5 EGBARN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)o2)c2nonc21 ZINC000009427218 453253472 /nfs/dbraw/zinc/25/34/72/453253472.db2.gz NGNCQCYADVLMLP-UHFFFAOYSA-N 0 0 341.308 3.332 50 5 EGBARN O=[N+]([O-])c1ccc(OC(F)(F)F)c(I)c1 ZINC000079449503 454417186 /nfs/dbraw/zinc/41/71/86/454417186.db2.gz UCHXFOSROGVONK-UHFFFAOYSA-N 0 0 333.003 3.098 50 5 EGBARN CCN(CC)C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000058523 201427363 /nfs/dbraw/zinc/42/73/63/201427363.db2.gz YJHJZDJQUNRGDJ-UHFFFAOYSA-N 0 0 325.415 3.165 50 5 EGBARN COC(=O)c1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1 ZINC000003879009 201582837 /nfs/dbraw/zinc/58/28/37/201582837.db2.gz GNTSIGIOESLVGP-UHFFFAOYSA-N 0 0 348.702 3.315 50 5 EGBARN 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452787488 /nfs/dbraw/zinc/78/74/88/452787488.db2.gz ZQNDSTJXPOGQQT-UHFFFAOYSA-N 0 0 340.788 3.463 50 5 EGBARN O=[N+]([O-])c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCOCC3)cc2)c1 ZINC000004058737 452791113 /nfs/dbraw/zinc/79/11/13/452791113.db2.gz YNHAVPLQZDIUIA-UHFFFAOYSA-N 0 0 344.327 3.083 50 5 EGBARN Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000004117305 452792982 /nfs/dbraw/zinc/79/29/82/452792982.db2.gz GQEIDJWCRDSABZ-UHFFFAOYSA-N 0 0 343.358 3.005 50 5 EGBARN O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2cccs2)CCOCC1 ZINC000004478988 452804316 /nfs/dbraw/zinc/80/43/16/452804316.db2.gz OSJIJQJIGDZKDS-UHFFFAOYSA-N 0 0 332.381 3.343 50 5 EGBARN O=C1S/C(=C/c2ccncc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000004675851 452813400 /nfs/dbraw/zinc/81/34/00/452813400.db2.gz JHIFPDJTOYXPJP-NTEUORMPSA-N 0 0 341.348 3.226 50 5 EGBARN COc1ccc(OC)c(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000004795361 452818741 /nfs/dbraw/zinc/81/87/41/452818741.db2.gz ZHHOKBFXPVHNQO-UHFFFAOYSA-N 0 0 347.327 3.265 50 5 EGBARN COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)c([N+](=O)[O-])c1 ZINC000004832935 452819119 /nfs/dbraw/zinc/81/91/19/452819119.db2.gz BOAFFGZQURTVQR-GFCCVEGCSA-N 0 0 330.340 3.318 50 5 EGBARN COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004983225 452830147 /nfs/dbraw/zinc/83/01/47/452830147.db2.gz JJZFXYXSTIRMCJ-UHFFFAOYSA-N 0 0 341.367 3.456 50 5 EGBARN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005064660 452836352 /nfs/dbraw/zinc/83/63/52/452836352.db2.gz BPJXWOWREMSDAB-UHFFFAOYSA-N 0 0 325.368 3.472 50 5 EGBARN Nc1nc(Nc2cccc(Cl)c2)nc(N2CCCCC2)c1[N+](=O)[O-] ZINC000005218986 452847464 /nfs/dbraw/zinc/84/74/64/452847464.db2.gz VFFPKGAOEMFQPL-UHFFFAOYSA-N 0 0 348.794 3.354 50 5 EGBARN O=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1[N+](=O)[O-] ZINC000005576005 452886649 /nfs/dbraw/zinc/88/66/49/452886649.db2.gz XGZJMCYBAUCZRQ-UHFFFAOYSA-N 0 0 338.323 3.216 50 5 EGBARN Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(C)cc1 ZINC000010271982 453283905 /nfs/dbraw/zinc/28/39/05/453283905.db2.gz ZAZOCRSLFRJSFR-UHFFFAOYSA-N 0 0 337.339 3.045 50 5 EGBARN Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC[C@H](C)C3)n2)c1 ZINC000086053395 454041540 /nfs/dbraw/zinc/04/15/40/454041540.db2.gz DNZWSDLPVBGUJV-LBPRGKRZSA-N 0 0 342.403 3.255 50 5 EGBARN CCN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000095634831 454231579 /nfs/dbraw/zinc/23/15/79/454231579.db2.gz IZPJZNVDOFYZRH-UHFFFAOYSA-N 0 0 334.397 3.114 50 5 EGBARN O=[N+]([O-])c1ccc(CS(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000022016103 202077444 /nfs/dbraw/zinc/07/74/44/202077444.db2.gz GSDOSCQDYLBMHU-UHFFFAOYSA-N 0 0 344.751 3.329 50 5 EGBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccnc1 ZINC000000063210 201428832 /nfs/dbraw/zinc/42/88/32/201428832.db2.gz IOAJNHWSQPCEGS-UHFFFAOYSA-N 0 0 326.337 3.366 50 5 EGBARN O=C(NCCOc1ccc(F)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000022479975 212300469 /nfs/dbraw/zinc/30/04/69/212300469.db2.gz YRPZUVAMFVCETI-UHFFFAOYSA-N 0 0 338.722 3.196 50 5 EGBARN COC(=O)c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001022273 201496422 /nfs/dbraw/zinc/49/64/22/201496422.db2.gz PVKCMORGTDXPHD-UHFFFAOYSA-N 0 0 335.699 3.254 50 5 EGBARN CCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000002784350 201544618 /nfs/dbraw/zinc/54/46/18/201544618.db2.gz VXJFHBYHUVIDFP-UHFFFAOYSA-N 0 0 344.279 3.315 50 5 EGBARN CCCOc1ccc([C@H]2C([N+](=O)[O-])=C(C)N(C)C(=O)N2C)cc1OC ZINC000002675128 201540849 /nfs/dbraw/zinc/54/08/49/201540849.db2.gz RRFMAMKEQFFFRP-INIZCTEOSA-N 0 0 349.387 3.031 50 5 EGBARN Cc1ccccc1CSCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000004703694 201613306 /nfs/dbraw/zinc/61/33/06/201613306.db2.gz JDYIALAOLFCFAO-UHFFFAOYSA-N 0 0 344.436 3.495 50 5 EGBARN O=[N+]([O-])c1ccc(Sc2cc[n+]([O-])c3ccccc23)c([N+](=O)[O-])c1 ZINC000005034690 201635193 /nfs/dbraw/zinc/63/51/93/201635193.db2.gz BZFBORQXDGONOM-UHFFFAOYSA-N 0 0 343.320 3.441 50 5 EGBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2)CC1 ZINC000000272523 206224471 /nfs/dbraw/zinc/22/44/71/206224471.db2.gz ZQQJTNDGUVRWMB-UHFFFAOYSA-N 0 0 345.786 3.211 50 5 EGBARN Cc1nc2cc(NC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2n1C ZINC000000470522 206240787 /nfs/dbraw/zinc/24/07/87/206240787.db2.gz RFAUIUVZOBBMNQ-UHFFFAOYSA-N 0 0 325.328 3.434 50 5 EGBARN O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(O)cc1 ZINC000000191695 285018134 /nfs/dbraw/zinc/01/81/34/285018134.db2.gz PFYZFEVHUABGSS-UHFFFAOYSA-N 0 0 334.287 3.254 50 5 EGBARN O=[N+]([O-])c1cc(-c2noc(-c3ccccn3)n2)ccc1N1CCCC1 ZINC000009669047 285081925 /nfs/dbraw/zinc/08/19/25/285081925.db2.gz GULDVXUBGJJYGV-UHFFFAOYSA-N 0 0 337.339 3.307 50 5 EGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1c2ccccc2C[C@H]1C ZINC000004727002 292294563 /nfs/dbraw/zinc/29/45/63/292294563.db2.gz UDLKPCBMQHDIOZ-GFCCVEGCSA-N 0 0 332.381 3.043 50 5 EGBARN O=C(NC1CCCC1)c1ccc2nc3ccc(Cl)cc3c(=O)n2c1 ZINC000000425583 279824191 /nfs/dbraw/zinc/82/41/91/279824191.db2.gz XLUFRJSFIOASDI-UHFFFAOYSA-N 0 0 341.798 3.174 50 5 EGBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCCCC3)n2)cc1 ZINC000005025465 280918393 /nfs/dbraw/zinc/91/83/93/280918393.db2.gz QLLYRGBEIFGVJX-UHFFFAOYSA-N 0 0 328.376 3.009 50 5 EGBARN Cc1nc(N2CCC(C)CC2)nc(N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000004949492 293292427 /nfs/dbraw/zinc/29/24/27/293292427.db2.gz AXXGYWSXTGSUQX-CYBMUJFWSA-N 0 0 333.436 3.308 50 5 EGBARN Cc1nn(CCCC(=O)N2CCCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000000215111 452539885 /nfs/dbraw/zinc/53/98/85/452539885.db2.gz HKKCOMHFYDBTDB-UHFFFAOYSA-N 0 0 342.399 3.168 50 5 EGBARN CCOC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000000373223 452574275 /nfs/dbraw/zinc/57/42/75/452574275.db2.gz KZEPOULYJQETPJ-UHFFFAOYSA-N 0 0 328.324 3.332 50 5 EGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1 ZINC000000452790 452594807 /nfs/dbraw/zinc/59/48/07/452594807.db2.gz BXSIZDIZZBPFDQ-UHFFFAOYSA-N 0 0 332.381 3.475 50 5 EGBARN CC(=O)Nc1ccccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000471238 452603016 /nfs/dbraw/zinc/60/30/16/452603016.db2.gz TUTRMPWWEVLVNI-LLVKDONJSA-N 0 0 327.340 3.295 50 5 EGBARN CCOC(=O)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000001225990 452648382 /nfs/dbraw/zinc/64/83/82/452648382.db2.gz ZYEBUKQHNLJYHG-HNNXBMFYSA-N 0 0 334.372 3.293 50 5 EGBARN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000002780022 452722438 /nfs/dbraw/zinc/72/24/38/452722438.db2.gz QPTSIFABGUAADH-UHFFFAOYSA-N 0 0 331.284 3.154 50 5 EGBARN O=C(Nc1nnc(CC2CCCC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000002789356 452724019 /nfs/dbraw/zinc/72/40/19/452724019.db2.gz FBKFRLALGIPTLW-UHFFFAOYSA-N 0 0 332.385 3.431 50 5 EGBARN O=C1NC(c2ccccc2)=C([N+](=O)[O-])[C@@H](c2cccc(Cl)c2)N1 ZINC000002817329 452727390 /nfs/dbraw/zinc/72/73/90/452727390.db2.gz DTSNUZFKMCZSOK-CQSZACIVSA-N 0 0 329.743 3.339 50 5 EGBARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002899144 452732928 /nfs/dbraw/zinc/73/29/28/452732928.db2.gz USDDFAHGIKZODN-UHFFFAOYSA-N 0 0 334.715 3.272 50 5 EGBARN O=[N+]([O-])c1cccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c1 ZINC000003879006 452788263 /nfs/dbraw/zinc/78/82/63/452788263.db2.gz BBTLMDJZQQIWSV-UHFFFAOYSA-N 0 0 335.663 3.436 50 5 EGBARN O=C(C1CCCC1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 ZINC000004120089 452793499 /nfs/dbraw/zinc/79/34/99/452793499.db2.gz FVCOBEJTDLJYBG-UHFFFAOYSA-N 0 0 333.413 3.216 50 5 EGBARN Cc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000004573183 452808787 /nfs/dbraw/zinc/80/87/87/452808787.db2.gz SGORHYPTLAAUFN-UHFFFAOYSA-N 0 0 328.434 3.396 50 5 EGBARN O=C(COc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004551134 452809140 /nfs/dbraw/zinc/80/91/40/452809140.db2.gz GQWQZFXWQGFHIE-UHFFFAOYSA-N 0 0 329.337 3.222 50 5 EGBARN O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004599248 452810694 /nfs/dbraw/zinc/81/06/94/452810694.db2.gz YIWDBGKWWMAHNY-UHFFFAOYSA-N 0 0 345.786 3.211 50 5 EGBARN Cc1cccnc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004865719 452823184 /nfs/dbraw/zinc/82/31/84/452823184.db2.gz MEICZUAIGOBSMZ-UHFFFAOYSA-N 0 0 326.356 3.151 50 5 EGBARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000004991109 452830120 /nfs/dbraw/zinc/83/01/20/452830120.db2.gz FQLWTNGUNNHEGZ-UHFFFAOYSA-N 0 0 334.397 3.427 50 5 EGBARN CC1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)CC1 ZINC000005067476 452836222 /nfs/dbraw/zinc/83/62/22/452836222.db2.gz QCILPRYFMNMXCU-UHFFFAOYSA-N 0 0 346.366 3.086 50 5 EGBARN Nc1nc(NCc2ccccc2)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000006402887 452940644 /nfs/dbraw/zinc/94/06/44/452940644.db2.gz BRJDTOOLQHIVAT-UHFFFAOYSA-N 0 0 336.355 3.323 50 5 EGBARN COc1cccc(N2C(=O)C/C(=C\c3ccc([N+](=O)[O-])s3)C2=O)c1 ZINC000009485996 453254783 /nfs/dbraw/zinc/25/47/83/453254783.db2.gz WACUHSNAWVRECL-JXMROGBWSA-N 0 0 344.348 3.012 50 5 EGBARN CC(=O)c1sc(N(C(=O)c2cccc([N+](=O)[O-])c2)C2CC2)nc1C ZINC000013961243 453493816 /nfs/dbraw/zinc/49/38/16/453493816.db2.gz UPSQHULFRXLHCR-UHFFFAOYSA-N 0 0 345.380 3.372 50 5 EGBARN Cc1cccc(Cl)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000015636079 453580969 /nfs/dbraw/zinc/58/09/69/453580969.db2.gz PGMXZKVAIMJASU-UHFFFAOYSA-N 0 0 326.761 3.357 50 5 EGBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cccs2)o1 ZINC000017170225 453631072 /nfs/dbraw/zinc/63/10/72/453631072.db2.gz JYEFEZCOTZBYFJ-YVMONPNESA-N 0 0 342.336 3.358 50 5 EGBARN CSc1nc2ccccc2c2nc(=O)c(-c3ccc(F)cc3)nn12 ZINC000095469509 454218594 /nfs/dbraw/zinc/21/85/94/454218594.db2.gz BVJATDYVUWSQOO-UHFFFAOYSA-N 0 0 338.367 3.166 50 5 EGBARN CC[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C12CC3CC(CC(C3)C1)C2 ZINC000017072110 201985656 /nfs/dbraw/zinc/98/56/56/201985656.db2.gz JZJPJXYVXIXSKR-CHGJFTSJSA-N 0 0 346.431 3.053 50 5 EGBARN CC(=O)c1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000104241534 219364321 /nfs/dbraw/zinc/36/43/21/219364321.db2.gz XYZYWVPCIUFMRN-UHFFFAOYSA-N 0 0 346.255 3.357 50 5 EGBARN NC(=O)c1ccsc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004281498 283388383 /nfs/dbraw/zinc/38/83/83/283388383.db2.gz RLHQLKXFZOXMSX-UHFFFAOYSA-N 0 0 347.377 3.222 50 5 EGBARN COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000444221 201474198 /nfs/dbraw/zinc/47/41/98/201474198.db2.gz YFHOCZHMLFLNTK-BJMVGYQFSA-N 0 0 328.324 3.264 50 5 EGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000002058284 201524290 /nfs/dbraw/zinc/52/42/90/201524290.db2.gz HXZGWEPWJDVOCY-UHFFFAOYSA-N 0 0 331.284 3.072 50 5 EGBARN Nc1nc(NC2CCCCC2)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000004306291 201596617 /nfs/dbraw/zinc/59/66/17/201596617.db2.gz SSYFAGDCCXWWPP-UHFFFAOYSA-N 0 0 328.376 3.455 50 5 EGBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004706927 201612923 /nfs/dbraw/zinc/61/29/23/201612923.db2.gz NXGXMTNQCXWXBK-UHFFFAOYSA-N 0 0 345.380 3.120 50 5 EGBARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004857278 201623850 /nfs/dbraw/zinc/62/38/50/201623850.db2.gz LPXAZMMRSUEHEU-VFZGTOFNSA-N 0 0 348.742 3.415 50 5 EGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000004868106 201624425 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O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Br)o1 ZINC000000174144 452527040 /nfs/dbraw/zinc/52/70/40/452527040.db2.gz ZMJXUFKTLMACII-UHFFFAOYSA-N 0 0 329.081 3.342 50 5 EGBARN O=C1C(=Cc2cccc([N+](=O)[O-])c2)NC(=S)N1c1ccccc1 ZINC000000179825 452529091 /nfs/dbraw/zinc/52/90/91/452529091.db2.gz FPILVAHOEJISCY-UVTDQMKNSA-N 0 0 325.349 3.268 50 5 EGBARN O=C1C=C(c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000000208203 452537148 /nfs/dbraw/zinc/53/71/48/452537148.db2.gz JBMZVRLCOJNMPF-UHFFFAOYSA-N 0 0 328.711 3.205 50 5 EGBARN CCN(CC)C(=O)COc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000253087 452548208 /nfs/dbraw/zinc/54/82/08/452548208.db2.gz RKWSQBVICFNVOT-UHFFFAOYSA-N 0 0 325.364 3.193 50 5 EGBARN O=[N+]([O-])c1cccc(C(=S)N2CCN(c3ccccc3)CC2)c1 ZINC000000306392 452559255 /nfs/dbraw/zinc/55/92/55/452559255.db2.gz ZABSOVBZDSYFEJ-UHFFFAOYSA-N 0 0 327.409 3.093 50 5 EGBARN Cc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1[N+](=O)[O-] ZINC000000427636 452588875 /nfs/dbraw/zinc/58/88/75/452588875.db2.gz 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COc1ccc(NC(=O)COc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004075774 452792552 /nfs/dbraw/zinc/79/25/52/452792552.db2.gz FXZCPWXYDAGQCT-UHFFFAOYSA-N 0 0 336.731 3.274 50 5 EGBARN Cc1ccc(C(=O)NCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000004474185 452804942 /nfs/dbraw/zinc/80/49/42/452804942.db2.gz IOIBGZOPQDZNLI-UHFFFAOYSA-N 0 0 333.775 3.399 50 5 EGBARN Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccc(Cl)c(Cl)c2)n1C ZINC000004625615 452810014 /nfs/dbraw/zinc/81/00/14/452810014.db2.gz UVIJNNAZSSOATP-UHFFFAOYSA-N 0 0 344.154 3.301 50 5 EGBARN COc1ccc(NC(=O)COc2ccc(C)cc2C)c([N+](=O)[O-])c1 ZINC000004699018 452812817 /nfs/dbraw/zinc/81/28/17/452812817.db2.gz XAXORHQUCZVORE-UHFFFAOYSA-N 0 0 330.340 3.238 50 5 EGBARN Nc1nc(Cl)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000005025959 452831786 /nfs/dbraw/zinc/83/17/86/452831786.db2.gz FVNCGJDAUAIGEN-UHFFFAOYSA-N 0 0 347.806 3.080 50 5 EGBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC1CCCCCC1 ZINC000005819080 452902897 /nfs/dbraw/zinc/90/28/97/452902897.db2.gz 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CC(C)(C)OC(=O)N1CC[C@@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC000067800672 215214660 /nfs/dbraw/zinc/21/46/60/215214660.db2.gz MHOIEGRSORTDPW-SNVBAGLBSA-N 0 0 326.324 3.122 50 5 EGBARN CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC000067800511 215214919 /nfs/dbraw/zinc/21/49/19/215214919.db2.gz GCHCCIWYIPTVKU-SNVBAGLBSA-N 0 0 326.324 3.122 50 5 EGBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@]1(C)c1ccc(F)cc1 ZINC000001432239 209748922 /nfs/dbraw/zinc/74/89/22/209748922.db2.gz OSHQHFXJELKXCI-QGZVFWFLSA-N 0 0 343.314 3.147 50 5 EGBARN CCOC(=O)c1cc2c(nc1N)oc1ccc(C(C)C)cc1c2=O ZINC000038339121 213207755 /nfs/dbraw/zinc/20/77/55/213207755.db2.gz PFDJAEKKGJFCNL-UHFFFAOYSA-N 0 0 326.352 3.224 50 5 EGBARN Cc1nc(NC[C@H]2CCCO2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000036708783 213112541 /nfs/dbraw/zinc/11/25/41/213112541.db2.gz JAJWTNOHNMUUCA-CYBMUJFWSA-N 0 0 347.350 3.167 50 5 EGBARN COc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000457262 209612422 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O=[N+]([O-])c1ccccc1S(=O)(=O)N(C1CCCC1)C1CCCC1 ZINC000017071009 211951305 /nfs/dbraw/zinc/95/13/05/211951305.db2.gz SYCOCCYSARUOTC-UHFFFAOYSA-N 0 0 338.429 3.471 50 5 EGBARN Cc1c(NC(=S)Nc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000017067981 211949297 /nfs/dbraw/zinc/94/92/97/211949297.db2.gz WNRQJXDVZZNVMV-UHFFFAOYSA-N 0 0 331.353 3.441 50 5 EGBARN Cn1cnnc1Sc1cc(N2CCCCCC2)ccc1[N+](=O)[O-] ZINC000009192157 211050966 /nfs/dbraw/zinc/05/09/66/211050966.db2.gz VVRKKGYUPMPESW-UHFFFAOYSA-N 0 0 333.417 3.255 50 5 EGBARN O=C(CCn1c(=O)sc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000095946511 218458355 /nfs/dbraw/zinc/45/83/55/218458355.db2.gz CVCKZECUMNRBCY-UHFFFAOYSA-N 0 0 343.364 3.000 50 5 EGBARN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000005068367 210381359 /nfs/dbraw/zinc/38/13/59/210381359.db2.gz BJQRDCSLIKHODY-UHFFFAOYSA-N 0 0 326.356 3.151 50 5 EGBARN Cc1ccc(Nc2nc(NCc3ccco3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005066919 210381255 /nfs/dbraw/zinc/38/12/55/210381255.db2.gz 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O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000375744 135649371 /nfs/dbraw/zinc/64/93/71/135649371.db2.gz CHWPCHMHXSWWRG-UHFFFAOYSA-N 0 0 345.786 3.211 50 5 EGBARN O=C(NC(=S)N1CCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000508624 452610081 /nfs/dbraw/zinc/61/00/81/452610081.db2.gz FJSKRZPIFGMZFP-UHFFFAOYSA-N 0 0 341.820 3.139 50 5 EGBARN CC(=O)Nc1nc(-c2ccccc2)nc2c3ccccc3oc(=O)c12 ZINC000001293909 275797453 /nfs/dbraw/zinc/79/74/53/275797453.db2.gz TXZRQPPQZAJROJ-UHFFFAOYSA-N 0 0 331.331 3.362 50 5 biogenic,in-vitro EGBARN O=C(NC(=S)N1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000146280 452520822 /nfs/dbraw/zinc/52/08/22/452520822.db2.gz GGDMLFXFAABFCV-UHFFFAOYSA-N 0 0 341.392 3.062 50 5 aggregator EGBARN COc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000148702 452522683 /nfs/dbraw/zinc/52/26/83/452522683.db2.gz CAEOSZNZRBCRKJ-UHFFFAOYSA-N 0 0 332.381 3.475 50 5 EGBARN Cc1cc(=O)oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc12 ZINC000000361753 452572789 /nfs/dbraw/zinc/57/27/89/452572789.db2.gz XXSXYVYFFOSMEB-UHFFFAOYSA-N 0 0 325.276 3.229 50 5 EGBARN CCC(=O)Nc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000000444406 452593473 /nfs/dbraw/zinc/59/34/73/452593473.db2.gz XGWJZXVRDYFKIV-UHFFFAOYSA-N 0 0 343.339 3.204 50 5 EGBARN COc1ccc(-c2cc(=O)c3cc([N+](=O)[O-])ccc3o2)cc1OC ZINC000000486025 452606762 /nfs/dbraw/zinc/60/67/62/452606762.db2.gz LVKSNLBRAQACFP-UHFFFAOYSA-N 0 0 327.292 3.385 50 5 biogenic EGBARN CCn1cc([C@H](C)NC(=S)Nc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000000610815 452630095 /nfs/dbraw/zinc/63/00/95/452630095.db2.gz XZDUKSHHCKAMIC-JTQLQIEISA-N 0 0 333.417 3.167 50 5 EGBARN COc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1[N+](=O)[O-] ZINC000001753402 452677496 /nfs/dbraw/zinc/67/74/96/452677496.db2.gz QLUBDHXQAKOFJE-UHFFFAOYSA-N 0 0 346.299 3.464 50 5 EGBARN Cc1ccc(OCCCn2cnc3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000003002200 452739258 /nfs/dbraw/zinc/73/92/58/452739258.db2.gz ATCGJEJCNQWNFP-UHFFFAOYSA-N 0 0 339.351 3.082 50 5 EGBARN O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000004185209 452797225 /nfs/dbraw/zinc/79/72/25/452797225.db2.gz FULSTMDXLHHHRI-UHFFFAOYSA-N 0 0 333.775 3.480 50 5 EGBARN Cc1ccc2cc(COC(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1 ZINC000005164167 452843163 /nfs/dbraw/zinc/84/31/63/452843163.db2.gz FKEXMTFJTMMOIA-UHFFFAOYSA-N 0 0 338.319 3.102 50 5 EGBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)NCCc1cccs1 ZINC000005320948 452858482 /nfs/dbraw/zinc/85/84/82/452858482.db2.gz KFTJFFTXYDWZPM-UHFFFAOYSA-N 0 0 340.788 3.047 50 5 EGBARN CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1C ZINC000005455573 452875069 /nfs/dbraw/zinc/87/50/69/452875069.db2.gz VAFBRJLDUMHEEM-UHFFFAOYSA-N 0 0 329.312 3.478 50 5 EGBARN COc1ccc(N2C(=S)N=NC2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005810875 452903164 /nfs/dbraw/zinc/90/31/64/452903164.db2.gz CSGNCGKHWIWPJT-UHFFFAOYSA-N 0 0 328.353 3.140 50 5 EGBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccccc2)o1 ZINC000006496259 452948975 /nfs/dbraw/zinc/94/89/75/452948975.db2.gz 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ZINC000004305936 210164575 /nfs/dbraw/zinc/16/45/75/210164575.db2.gz HREJXNGDZWTOQD-UHFFFAOYSA-N 0 0 336.783 3.432 50 5 EGBARN O=C(c1cccs1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 ZINC000004120681 210126518 /nfs/dbraw/zinc/12/65/18/210126518.db2.gz YIRZQGUUFMAFNX-UHFFFAOYSA-N 0 0 347.421 3.402 50 5 EGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)NC(C(F)(F)F)C(F)(F)F ZINC000004099941 210118964 /nfs/dbraw/zinc/11/89/64/210118964.db2.gz PSTSKYANYAJLSD-UHFFFAOYSA-N 0 0 331.172 3.210 50 5 EGBARN Nc1nnc(CCCn2c3ccccc3c(=O)c3ccccc32)s1 ZINC000004083562 210115382 /nfs/dbraw/zinc/11/53/82/210115382.db2.gz JJGILYZDWCISDH-UHFFFAOYSA-N 0 0 336.420 3.221 50 5 EGBARN CCc1ccccc1OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000004056346 210108886 /nfs/dbraw/zinc/10/88/86/210108886.db2.gz XCSLKZWHEDQLNU-UHFFFAOYSA-N 0 0 330.340 3.183 50 5 EGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1ccco1 ZINC000002929509 209944007 /nfs/dbraw/zinc/94/40/07/209944007.db2.gz SSORQKUCURETKU-VMPITWQZSA-N 0 0 332.381 3.251 50 5 EGBARN COc1cc2ncnc(Nc3ccc([N+](=O)[O-])cc3)c2cc1OC ZINC000103256185 219276897 /nfs/dbraw/zinc/27/68/97/219276897.db2.gz IJPROWBQSHRNDZ-UHFFFAOYSA-N 0 0 326.312 3.299 50 5 EGBARN COc1ccc(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002630612 209878357 /nfs/dbraw/zinc/87/83/57/209878357.db2.gz GLBXBFFECJCAJJ-UHFFFAOYSA-N 0 0 334.759 3.229 50 5 EGBARN Cc1ccc(NC(=O)c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)c(C)c1 ZINC000000356078 209549402 /nfs/dbraw/zinc/54/94/02/209549402.db2.gz BCEXKXZLYWDDBE-UHFFFAOYSA-N 0 0 340.339 3.302 50 5 EGBARN COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000168652 209460565 /nfs/dbraw/zinc/46/05/65/209460565.db2.gz UNYGYFYNUNUEHJ-UHFFFAOYSA-N 0 0 334.759 3.229 50 5 biogenic EGBARN CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000060159 209393941 /nfs/dbraw/zinc/39/39/41/209393941.db2.gz TUWKWNJZQUNACT-UHFFFAOYSA-N 0 0 333.731 3.459 50 5 EGBARN O=C1S[C@H](Nc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 ZINC000012112967 211291521 /nfs/dbraw/zinc/29/15/21/211291521.db2.gz KSHALZLIVREVLM-ZDUSSCGKSA-N 0 0 347.327 3.372 50 5 EGBARN O=[N+]([O-])c1cc(I)cc(OC(F)(F)F)c1 ZINC000263624656 285097009 /nfs/dbraw/zinc/09/70/09/285097009.db2.gz SJUUQOZWBSNJMC-UHFFFAOYSA-N 0 0 333.003 3.098 50 5 EGBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1cc(C)cc(C)n1 ZINC000004999167 210355408 /nfs/dbraw/zinc/35/54/08/210355408.db2.gz QLXRZIISHILCCM-UHFFFAOYSA-N 0 0 332.385 3.424 50 5 EGBARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004857276 210302974 /nfs/dbraw/zinc/30/29/74/210302974.db2.gz LPXAZMMRSUEHEU-PSLIRLAXSA-N 0 0 348.742 3.415 50 5 EGBARN O=[N+]([O-])c1ccc(N2CCc3nn(-c4ccc(F)cc4)cc3C2)cc1 ZINC000004052926 285132595 /nfs/dbraw/zinc/13/25/95/285132595.db2.gz HQWVALLVQPDPRL-UHFFFAOYSA-N 0 0 338.342 3.482 50 5 EGBARN CCOC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000004769704 210274229 /nfs/dbraw/zinc/27/42/29/210274229.db2.gz ZSNYKCXGLDMSLT-UHFFFAOYSA-N 0 0 331.280 3.293 50 5 EGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000476850 135651334 /nfs/dbraw/zinc/65/13/34/135651334.db2.gz SUAIJIHPNNGQFL-UHFFFAOYSA-N 0 0 345.786 3.211 50 5 EGBARN O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000189350 296509052 /nfs/dbraw/zinc/50/90/52/296509052.db2.gz OJHAXWUKVPWYPP-UHFFFAOYSA-N 0 0 342.170 3.190 50 5 EGBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000000362480 275031122 /nfs/dbraw/zinc/03/11/22/275031122.db2.gz DVDOFFINVKJVSF-UHFFFAOYSA-N 0 0 336.225 3.414 50 5 EGBARN CC(C)(C)OC(=O)NC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000052450334 275521937 /nfs/dbraw/zinc/52/19/37/275521937.db2.gz USELACXHOHHFFR-UHFFFAOYSA-N 0 0 339.367 3.227 50 5 EGBARN O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)c2c(n[nH]c2-c2ccccc2)N1 ZINC000009015389 280273622 /nfs/dbraw/zinc/27/36/22/280273622.db2.gz JWLUDMJJCZGDHE-CQSZACIVSA-N 0 0 334.335 3.459 50 5 EGBARN Cc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1[N+](=O)[O-] ZINC000000427709 280994879 /nfs/dbraw/zinc/99/48/79/280994879.db2.gz QTRPMMFYDUSLQY-GFCCVEGCSA-N 0 0 340.335 3.149 50 5 EGBARN CCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1 ZINC000000090794 452504803 /nfs/dbraw/zinc/50/48/03/452504803.db2.gz HXKDQDBDXUTJIM-UHFFFAOYSA-N 0 0 333.325 3.449 50 5 EGBARN O=C(c1ccccc1)N1N=Cc2cc([N+](=O)[O-])ccc2SC1=O ZINC000000110647 452510800 /nfs/dbraw/zinc/51/08/00/452510800.db2.gz PJWIPVJWGXWOJI-UHFFFAOYSA-N 0 0 327.321 3.297 50 5 EGBARN CCOc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000000147178 452520847 /nfs/dbraw/zinc/52/08/47/452520847.db2.gz KXFNDKXYXHPPNE-UHFFFAOYSA-N 0 0 346.339 3.020 50 5 EGBARN COC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000281575 452554675 /nfs/dbraw/zinc/55/46/75/452554675.db2.gz OVRLIQSONDYWDB-UHFFFAOYSA-N 0 0 334.715 3.287 50 5 EGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nnc(C(F)(F)F)s1 ZINC000000316081 452562349 /nfs/dbraw/zinc/56/23/49/452562349.db2.gz PXEVVRBBXYHVMN-SNAWJCMRSA-N 0 0 344.274 3.117 50 5 EGBARN COc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000000442452 452593447 /nfs/dbraw/zinc/59/34/47/452593447.db2.gz JROOTMNGIBMXKY-UHFFFAOYSA-N 0 0 329.337 3.465 50 5 EGBARN COC(=O)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000000462929 452598512 /nfs/dbraw/zinc/59/85/12/452598512.db2.gz YWFHVYBJOAZLMS-DHZHZOJOSA-N 0 0 326.308 3.033 50 5 EGBARN Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000000503287 452608342 /nfs/dbraw/zinc/60/83/42/452608342.db2.gz BCSBGPYGVMYXDQ-UHFFFAOYSA-N 0 0 329.381 3.338 50 5 EGBARN Cn1cc([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000000540239 452618131 /nfs/dbraw/zinc/61/81/31/452618131.db2.gz FIPSIEAHWCPDJI-HNNXBMFYSA-N 0 0 349.346 3.134 50 5 EGBARN CC(C)Cc1nc2sc3c(ncn4nnnc34)c2c2c1CCCC2 ZINC000000547360 452620820 /nfs/dbraw/zinc/62/08/20/452620820.db2.gz YJLIXFAATVETFO-UHFFFAOYSA-N 0 0 338.440 3.360 50 5 EGBARN CCCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1 ZINC000002202248 452690030 /nfs/dbraw/zinc/69/00/30/452690030.db2.gz FDGUFPIFMKVAJQ-UHFFFAOYSA-N 0 0 336.347 3.097 50 5 EGBARN Cc1ccc2c(c1)CCCN2C(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 ZINC000002732935 452718574 /nfs/dbraw/zinc/71/85/74/452718574.db2.gz DQNUCDSSURHMTR-UHFFFAOYSA-N 0 0 348.790 3.123 50 5 EGBARN COc1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000004090481 452792102 /nfs/dbraw/zinc/79/21/02/452792102.db2.gz DVVHDTGTMTUGOU-UHFFFAOYSA-N 0 0 345.380 3.039 50 5 EGBARN Cc1cccc(Nc2nc(N3CCC[C@@H](C)C3)nc(N)c2[N+](=O)[O-])c1 ZINC000004305965 452800014 /nfs/dbraw/zinc/80/00/14/452800014.db2.gz UDKIKASWMTUWEF-GFCCVEGCSA-N 0 0 342.403 3.255 50 5 EGBARN COc1ccccc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1C ZINC000004551395 452808214 /nfs/dbraw/zinc/80/82/14/452808214.db2.gz VODYHFBOSHTJSJ-UHFFFAOYSA-N 0 0 345.380 3.039 50 5 EGBARN O=c1[nH]c2ccccc2cc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000005185167 452844742 /nfs/dbraw/zinc/84/47/42/452844742.db2.gz LRNVWLPQBXRXEK-UHFFFAOYSA-N 0 0 334.291 3.153 50 5 EGBARN CC1(C)CC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)C1 ZINC000005422707 452870430 /nfs/dbraw/zinc/87/04/30/452870430.db2.gz RVPIKKOVDYYRKV-HNNXBMFYSA-N 0 0 342.395 3.064 50 5 EGBARN O=c1oc2ccccc2c(NCCOc2ccccc2)c1[N+](=O)[O-] ZINC000005604075 452887725 /nfs/dbraw/zinc/88/77/25/452887725.db2.gz IQNFVEWLQWMHMN-UHFFFAOYSA-N 0 0 326.308 3.192 50 5 biogenic,in-vitro EGBARN O=[N+]([O-])c1cccc(NC(=S)Nc2ccc3nccnc3c2)c1 ZINC000022130552 453687638 /nfs/dbraw/zinc/68/76/38/453687638.db2.gz UPAGUXKCAVCJAO-UHFFFAOYSA-N 0 0 325.353 3.347 50 5 EGBARN O=[N+]([O-])c1cccc(I)c1OC(F)(F)F ZINC000197357129 547234681 /nfs/dbraw/zinc/23/46/81/547234681.db2.gz NPPVBKGKYRVVGE-UHFFFAOYSA-N 0 0 333.003 3.098 50 5 EGBARN CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)C1CCCCC1 ZINC000054178055 214221856 /nfs/dbraw/zinc/22/18/56/214221856.db2.gz QRIWCCUOESWYJB-UHFFFAOYSA-N 0 0 344.367 3.496 50 5 EGBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000004622086 210234174 /nfs/dbraw/zinc/23/41/74/210234174.db2.gz 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O=[N+]([O-])c1ccc(Nc2ccc(Cl)c([N+](=O)[O-])c2)c2nonc21 ZINC000004974080 210344632 /nfs/dbraw/zinc/34/46/32/210344632.db2.gz WEHMVMPOHZEVLX-UHFFFAOYSA-N 0 0 335.663 3.436 50 5 EGBARN CC(=O)Oc1cccc(OC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000004799755 210279812 /nfs/dbraw/zinc/27/98/12/210279812.db2.gz QZEIOJXKQLOKAK-UHFFFAOYSA-N 0 0 330.296 3.439 50 5 EGBARN COC(=O)c1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000102928354 258069757 /nfs/dbraw/zinc/06/97/57/258069757.db2.gz HIZUBFSGAJLMCA-NBVRZTHBSA-N 0 0 340.291 3.066 50 5 EGBARN CCOC(=O)c1cc2c(nc1N)oc1cc(C)c(Cl)cc1c2=O ZINC000068712473 276297775 /nfs/dbraw/zinc/29/77/75/276297775.db2.gz PGOHVZWCVXHMBD-UHFFFAOYSA-N 0 0 332.743 3.062 50 5 EGBARN Cc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000005050790 278927657 /nfs/dbraw/zinc/92/76/57/278927657.db2.gz SZOGTGLDXZGLGV-UHFFFAOYSA-N 0 0 326.356 3.151 50 5 EGBARN COc1cc2c(cc1OC)[C@@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000000107499 295041269 /nfs/dbraw/zinc/04/12/69/295041269.db2.gz 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O=C(NC(C(F)(F)F)C(F)(F)F)OCc1ccccc1[N+](=O)[O-] ZINC000003094893 452742450 /nfs/dbraw/zinc/74/24/50/452742450.db2.gz VXSPEHFKQXSXSC-UHFFFAOYSA-N 0 0 346.183 3.314 50 5 EGBARN Cc1ccc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000004189465 452797159 /nfs/dbraw/zinc/79/71/59/452797159.db2.gz HXBHHILOIRLRCL-UHFFFAOYSA-N 0 0 339.395 3.174 50 5 EGBARN Cc1cccc2cc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)c(=O)[nH]c12 ZINC000005818579 452903465 /nfs/dbraw/zinc/90/34/65/452903465.db2.gz XLDHUWIXXRYGDZ-UHFFFAOYSA-N 0 0 348.318 3.462 50 5 EGBARN Cc1ccc(C(=O)Nc2c3nsnc3ccc2C)cc1[N+](=O)[O-] ZINC000016347860 453600711 /nfs/dbraw/zinc/60/07/11/453600711.db2.gz RLQNVYXDSLBJDL-UHFFFAOYSA-N 0 0 328.353 3.469 50 5 EGBARN O=[N+]([O-])c1cccnc1N1CCC(c2cc(-c3ccco3)n[nH]2)CC1 ZINC000020218660 453662733 /nfs/dbraw/zinc/66/27/33/453662733.db2.gz ZDNNCYMMPVQKHO-UHFFFAOYSA-N 0 0 339.355 3.357 50 5 EGBARN Cc1cc(C)c(NC(=O)CSc2nc(C)cc(C)n2)c([N+](=O)[O-])c1 ZINC000004593393 210229627 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CCOc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccccc1 ZINC000005102771 210389636 /nfs/dbraw/zinc/38/96/36/210389636.db2.gz ODNHFHRPUIROLG-UHFFFAOYSA-N 0 0 345.380 3.120 50 5 EGBARN CCOc1ccc(Nc2nc(N[C@H](C)CC)nc(N)c2[N+](=O)[O-])cc1 ZINC000005030665 210368220 /nfs/dbraw/zinc/36/82/20/210368220.db2.gz WRFUSJRVQYOTKC-SNVBAGLBSA-N 0 0 346.391 3.320 50 5 EGBARN O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004829011 210290778 /nfs/dbraw/zinc/29/07/78/210290778.db2.gz NCKUJCFRQLRCBL-UHFFFAOYSA-N 0 0 338.323 3.216 50 5 EGBARN O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000002796237 258050216 /nfs/dbraw/zinc/05/02/16/258050216.db2.gz BLCJBUHHFDCDOT-UHFFFAOYSA-N 0 0 340.314 3.231 50 5 EGBARN CCn1nccc1-c1nc2c3sc4nc(C)cc(C)c4c3ncn2n1 ZINC000017072568 273782967 /nfs/dbraw/zinc/78/29/67/273782967.db2.gz ODQFVQSUAFCTSM-UHFFFAOYSA-N 0 0 349.423 3.387 50 5 EGBARN CCOC(=O)[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000006870104 276436377 /nfs/dbraw/zinc/43/63/77/276436377.db2.gz SKUZRYOWMDKTCE-SNVBAGLBSA-N 0 0 346.305 3.393 50 5 EGBARN COc1cc([N+](=O)[O-])cc2cc(-c3nc4ccccc4[nH]3)c(=O)oc21 ZINC000008017416 277839846 /nfs/dbraw/zinc/83/98/46/277839846.db2.gz GTLYNYKHGQIKJU-UHFFFAOYSA-N 0 0 337.291 3.253 50 5 EGBARN CCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1 ZINC000002219208 281531571 /nfs/dbraw/zinc/53/15/71/281531571.db2.gz RYRVQVALQWHMRK-UHFFFAOYSA-N 0 0 338.388 3.175 50 5 EGBARN Cn1c2ncn(C3CCCCC3)c(=O)c2c2nc3ccccc3nc21 ZINC000004856450 294193592 /nfs/dbraw/zinc/19/35/92/294193592.db2.gz IQFZICUSQQSXLY-UHFFFAOYSA-N 0 0 333.395 3.337 50 5 EGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(C)cc(C)c1 ZINC000000145232 452520097 /nfs/dbraw/zinc/52/00/97/452520097.db2.gz ZOKMSNPKAFCJPY-UHFFFAOYSA-N 0 0 330.340 3.238 50 5 EGBARN O=C1C=CC(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000440101 452592307 /nfs/dbraw/zinc/59/23/07/452592307.db2.gz UUVOLNUFWRKWAI-UHFFFAOYSA-N 0 0 326.333 3.175 50 5 EGBARN CCc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000453487 452597139 /nfs/dbraw/zinc/59/71/39/452597139.db2.gz SQZOVDWKRHDQKV-UHFFFAOYSA-N 0 0 329.381 3.284 50 5 EGBARN COc1cccc(OCCOCCOc2ccccc2[N+](=O)[O-])c1 ZINC000002983718 452738489 /nfs/dbraw/zinc/73/84/89/452738489.db2.gz LJXFJOANXHBLIM-UHFFFAOYSA-N 0 0 333.340 3.078 50 5 EGBARN COc1ccccc1OCCOCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000002985589 452738695 /nfs/dbraw/zinc/73/86/95/452738695.db2.gz DNIHRFBTSGQZKU-UHFFFAOYSA-N 0 0 347.367 3.386 50 5 EGBARN COc1ccc(C)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003058126 452740332 /nfs/dbraw/zinc/74/03/32/452740332.db2.gz HNTALGIOBCTCRR-UHFFFAOYSA-N 0 0 331.284 3.072 50 5 EGBARN Cc1ccc(Nc2nc(N3CCC[C@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000004305902 452799098 /nfs/dbraw/zinc/79/90/98/452799098.db2.gz VKJLJBCUPLGVOY-LBPRGKRZSA-N 0 0 342.403 3.255 50 5 EGBARN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004312342 452800360 /nfs/dbraw/zinc/80/03/60/452800360.db2.gz VGJMVNQAVYLDDM-UHFFFAOYSA-N 0 0 328.353 3.202 50 5 EGBARN CCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccccc1 ZINC000005345722 452860692 /nfs/dbraw/zinc/86/06/92/452860692.db2.gz CEXHEOVBADKNPC-UHFFFAOYSA-N 0 0 345.402 3.325 50 5 EGBARN Cc1nn(C[C@H](C)C(=O)Nc2cc(C)ccc2F)c(C)c1[N+](=O)[O-] ZINC000006922580 453009008 /nfs/dbraw/zinc/00/90/08/453009008.db2.gz NDQOHYSGGXEJDQ-JTQLQIEISA-N 0 0 334.351 3.130 50 5 EGBARN CC[C@@H]1Oc2cc([N+](=O)[O-])ccc2N(Cc2ccc(F)cc2)C1=O ZINC000061997497 454364798 /nfs/dbraw/zinc/36/47/98/454364798.db2.gz KKPZCLZZNBYYOC-HNNXBMFYSA-N 0 0 330.315 3.438 50 5 EGBARN Cn1ncc2c1nc1c3ccc(O)cc3oc1c2-c1ccc[nH]c1=O ZINC000253623983 455855434 /nfs/dbraw/zinc/85/54/34/455855434.db2.gz XSINZUDCJCRLND-UHFFFAOYSA-N 0 0 332.319 3.341 50 5 biogenic EGBARN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(N3CCOCC3)n2)cc1 ZINC000000072049 527342431 /nfs/dbraw/zinc/34/24/31/527342431.db2.gz XUPOJRHVEJUARW-UHFFFAOYSA-N 0 0 336.351 3.042 50 5 EGBARN COc1ccc(NC(=O)COc2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000004699043 210251518 /nfs/dbraw/zinc/25/15/18/210251518.db2.gz DFZTXLJNVYNFSR-UHFFFAOYSA-N 0 0 330.340 3.238 50 5 EGBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000004608490 210230784 /nfs/dbraw/zinc/23/07/84/210230784.db2.gz VVTAAQNIDLEJJQ-UHFFFAOYSA-N 0 0 333.344 3.169 50 5 EGBARN Cc1ccc(C(=O)NCCNc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000004558207 210220538 /nfs/dbraw/zinc/22/05/38/210220538.db2.gz ARWXFZDWSFUSAW-UHFFFAOYSA-N 0 0 333.775 3.399 50 5 EGBARN COc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000004054377 210108612 /nfs/dbraw/zinc/10/86/12/210108612.db2.gz OPTHBFSEGGYQHX-UHFFFAOYSA-N 0 0 326.312 3.299 50 5 EGBARN COC(=O)c1cc(C(=O)Nc2ccc(C)cc2C)cc([N+](=O)[O-])c1 ZINC000000434295 209598359 /nfs/dbraw/zinc/59/83/59/209598359.db2.gz LWKFZLKQRNRJDN-UHFFFAOYSA-N 0 0 328.324 3.251 50 5 EGBARN Cc1ccc(C(=O)COC(=O)c2cc(Cl)ccc2O)cc1[N+](=O)[O-] ZINC000000233172 209496824 /nfs/dbraw/zinc/49/68/24/209496824.db2.gz YCUCZMFMAFZDPE-UHFFFAOYSA-N 0 0 349.726 3.302 50 5 EGBARN Cc1c([N+](=O)[O-])cc(C(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000002081294 291599921 /nfs/dbraw/zinc/59/99/21/291599921.db2.gz LPLUGILOKUXZNK-UHFFFAOYSA-N 0 0 341.323 3.404 50 5 EGBARN O=[N+]([O-])c1ccccc1OCCOCCn1cnc2ccccc21 ZINC000013281905 211540012 /nfs/dbraw/zinc/54/00/12/211540012.db2.gz RMTLANCFJKUBML-UHFFFAOYSA-N 0 0 327.340 3.040 50 5 EGBARN O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000012137179 211301831 /nfs/dbraw/zinc/30/18/31/211301831.db2.gz UANZSEFWTOREOK-UHFFFAOYSA-N 0 0 341.801 3.437 50 5 EGBARN O=C(OCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000005043311 210372288 /nfs/dbraw/zinc/37/22/88/210372288.db2.gz AJGIQDDGEMGGTF-UHFFFAOYSA-N 0 0 325.276 3.058 50 5 biogenic EGBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1COc2ccccc2O1 ZINC000005032484 210368334 /nfs/dbraw/zinc/36/83/34/210368334.db2.gz UULRMAMDYUQHTQ-CQSZACIVSA-N 0 0 334.715 3.027 50 5 EGBARN O=C(Nc1ccccc1)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000004983495 210348435 /nfs/dbraw/zinc/34/84/35/210348435.db2.gz KTZCINDIYXXIHX-OAHLLOKOSA-N 0 0 341.367 3.438 50 5 EGBARN CC(=O)Nc1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004999176 210355312 /nfs/dbraw/zinc/35/53/12/210355312.db2.gz XIVMKDWATFLASW-UHFFFAOYSA-N 0 0 330.369 3.362 50 5 EGBARN CSc1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000004877427 210310356 /nfs/dbraw/zinc/31/03/56/210310356.db2.gz GJVICSGQMWGHAY-UHFFFAOYSA-N 0 0 338.410 3.426 50 5 EGBARN CC[C@H]1Oc2cc([N+](=O)[O-])ccc2N(Cc2ccccc2F)C1=O ZINC000061997494 132435174 /nfs/dbraw/zinc/43/51/74/132435174.db2.gz HPHGHDFUWFHUMH-OAHLLOKOSA-N 0 0 330.315 3.438 50 5 EGBARN C[C@@H]1C[C@H](C)CN(c2nc(Nc3ccccc3)nc(N)c2[N+](=O)[O-])C1 ZINC000017993500 135712837 /nfs/dbraw/zinc/71/28/37/135712837.db2.gz KKZVMAIMPQQHBR-TXEJJXNPSA-N 0 0 342.403 3.193 50 5 EGBARN O=c1c2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])sn1-c1ccccc1F ZINC000004689447 275043097 /nfs/dbraw/zinc/04/30/97/275043097.db2.gz YBPKUMGHOVSHQK-UHFFFAOYSA-N 0 0 335.272 3.008 50 5 EGBARN CC1(C)Cc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2C(=O)C1 ZINC000000463169 278399143 /nfs/dbraw/zinc/39/91/43/278399143.db2.gz NSOJGKABPDHCAR-UHFFFAOYSA-N 0 0 345.380 3.459 50 5 EGBARN O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Cl)c2cc3c(cc2N1)OCO3 ZINC000000427730 304645972 /nfs/dbraw/zinc/64/59/72/304645972.db2.gz PEAFXWARXYURKF-VIFPVBQESA-N 0 0 346.726 3.451 50 5 EGBARN COc1ccc([C@@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OC ZINC000000140507 452517135 /nfs/dbraw/zinc/51/71/35/452517135.db2.gz XIYCSWUAXBKLHP-KRWDZBQOSA-N 0 0 343.335 3.464 50 5 EGBARN O=C(Cc1ccccc1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000000179466 452528463 /nfs/dbraw/zinc/52/84/63/452528463.db2.gz NHAIPUHEFGTPJD-UHFFFAOYSA-N 0 0 340.364 3.295 50 5 EGBARN CSc1ccccc1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000000196107 452532787 /nfs/dbraw/zinc/53/27/87/452532787.db2.gz IAZSPOGSDPWBKX-UHFFFAOYSA-N 0 0 340.792 3.114 50 5 EGBARN CCOC(=O)/C(=C1/OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000334598 452566256 /nfs/dbraw/zinc/56/62/56/452566256.db2.gz RBRSNBJXJGTTMN-FOCLMDBBSA-N 0 0 339.303 3.197 50 5 EGBARN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] ZINC000000350610 452568584 /nfs/dbraw/zinc/56/85/84/452568584.db2.gz AYZDPOUDBQTXLU-UHFFFAOYSA-N 0 0 328.324 3.448 50 5 EGBARN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000000361082 452572343 /nfs/dbraw/zinc/57/23/43/452572343.db2.gz ZQYYRVATCGUOIA-UHFFFAOYSA-N 0 0 335.772 3.375 50 5 EGBARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000469969 452602203 /nfs/dbraw/zinc/60/22/03/452602203.db2.gz VNXPOKJZSQZQEZ-GFCCVEGCSA-N 0 0 341.367 3.375 50 5 EGBARN O=[N+]([O-])c1ccc([C@@H](O)CSC(=S)N2CCCCC2)cc1 ZINC000000473235 452602267 /nfs/dbraw/zinc/60/22/67/452602267.db2.gz KQZTZKHJOXALHY-ZDUSSCGKSA-N 0 0 326.443 3.132 50 5 EGBARN CCOc1ccccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000477009 452603936 /nfs/dbraw/zinc/60/39/36/452603936.db2.gz HBEOXWKEMAOOTD-UHFFFAOYSA-N 0 0 345.380 3.120 50 5 EGBARN O=[N+]([O-])c1cccc(C(=S)N2CCN(c3ccccc3F)CC2)c1 ZINC000000527606 452614654 /nfs/dbraw/zinc/61/46/54/452614654.db2.gz QRSARGNWDUTXMK-UHFFFAOYSA-N 0 0 345.399 3.232 50 5 EGBARN Cc1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000000616364 452632592 /nfs/dbraw/zinc/63/25/92/452632592.db2.gz WMBJSGVGQXCSJS-UHFFFAOYSA-N 0 0 339.395 3.174 50 5 EGBARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 ZINC000002764558 452719927 /nfs/dbraw/zinc/71/99/27/452719927.db2.gz JVUQKIWNLMWWSP-NSHDSACASA-N 0 0 346.387 3.297 50 5 EGBARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000002763986 452721266 /nfs/dbraw/zinc/72/12/66/452721266.db2.gz IBDGQFFTFFWZBF-UHFFFAOYSA-N 0 0 329.143 3.370 50 5 EGBARN O=C(c1cc(N2CCCCC2)c(F)cc1[N+](=O)[O-])N1CCCCC1 ZINC000003894047 452788221 /nfs/dbraw/zinc/78/82/21/452788221.db2.gz SOIHVKBWTPSXTG-UHFFFAOYSA-N 0 0 335.379 3.350 50 5 EGBARN Cc1cc(Br)cc(C)c1Nc1ncnc(N)c1[N+](=O)[O-] ZINC000003912605 452789147 /nfs/dbraw/zinc/78/91/47/452789147.db2.gz RZLLEELMMUPFEK-UHFFFAOYSA-N 0 0 338.165 3.090 50 5 EGBARN CCSc1nnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000006048840 452917382 /nfs/dbraw/zinc/91/73/82/452917382.db2.gz QNXXYKIVGANCEO-UHFFFAOYSA-N 0 0 344.805 3.464 50 5 EGBARN COc1ccc2c3nccc4c5cc(O)ccc5n(c43)c(=O)c2c1OC ZINC000006624316 452960784 /nfs/dbraw/zinc/96/07/84/452960784.db2.gz PBTXUPOGDOSLQB-UHFFFAOYSA-N 0 0 346.342 3.315 50 5 biogenic EGBARN CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000008562361 453215256 /nfs/dbraw/zinc/21/52/56/453215256.db2.gz BRRMNHFAVSZXIT-GFCCVEGCSA-N 0 0 330.340 3.400 50 5 EGBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCc1c[nH]c2ccccc12 ZINC000095929224 454232262 /nfs/dbraw/zinc/23/22/62/454232262.db2.gz AVOSVUCIXYAHLR-HJWRWDBZSA-N 0 0 335.363 3.448 50 5 EGBARN O=C(NCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000048816944 454518103 /nfs/dbraw/zinc/51/81/03/454518103.db2.gz VHXVMSQGCYZIIB-UHFFFAOYSA-N 0 0 335.157 3.287 50 5 EGBARN Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(NCc2ccccc2)c1[N+](=O)[O-] ZINC000110446418 1293096968 /nfs/dbraw/zinc/09/69/68/1293096968.db2.gz QQNRPPUGRWPZCK-UHFFFAOYSA-N 0 0 332.272 3.332 50 5 EGBARN CCc1ccccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000000615857 209681256 /nfs/dbraw/zinc/68/12/56/209681256.db2.gz CPYNNCNTVMYANV-UHFFFAOYSA-N 0 0 339.395 3.120 50 5 EGBARN Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000000450965 209608064 /nfs/dbraw/zinc/60/80/64/209608064.db2.gz TURYSPGKIFXGRP-UHFFFAOYSA-N 0 0 333.344 3.169 50 5 EGBARN CCCNC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2onc(C)c21 ZINC000036618509 213103970 /nfs/dbraw/zinc/10/39/70/213103970.db2.gz SRQVEAKOINDINW-UHFFFAOYSA-N 0 0 340.339 3.246 50 5 EGBARN COC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000000060841 209394643 /nfs/dbraw/zinc/39/46/43/209394643.db2.gz ZUXVUOBYMXVDLH-UHFFFAOYSA-N 0 0 334.715 3.287 50 5 EGBARN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000000047096 209389102 /nfs/dbraw/zinc/38/91/02/209389102.db2.gz NJEVKMPLIZIPOR-UHFFFAOYSA-N 0 0 335.772 3.375 50 5 EGBARN CCOc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000019615632 212051297 /nfs/dbraw/zinc/05/12/97/212051297.db2.gz QYNAFBPVMIHVMV-UHFFFAOYSA-N 0 0 344.367 3.111 50 5 EGBARN COc1ccc2[nH]c(=NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1 ZINC000008973806 211024647 /nfs/dbraw/zinc/02/46/47/211024647.db2.gz OKQPYQHEOYHYGK-UHFFFAOYSA-N 0 0 343.364 3.196 50 5 EGBARN COc1ccc(OC)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000005513161 210478789 /nfs/dbraw/zinc/47/87/89/210478789.db2.gz OCBXRGINGDMDMM-BJMVGYQFSA-N 0 0 328.324 3.264 50 5 EGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C)c(C)c1 ZINC000005122072 210395214 /nfs/dbraw/zinc/39/52/14/210395214.db2.gz XDZMJTLPYXBRMD-UHFFFAOYSA-N 0 0 330.340 3.238 50 5 EGBARN COc1ccc(NC(=O)c2ccc(Br)o2)cc1[N+](=O)[O-] ZINC000004842542 210296736 /nfs/dbraw/zinc/29/67/36/210296736.db2.gz QWYHREAOTRIDBQ-UHFFFAOYSA-N 0 0 341.117 3.211 50 5 EGBARN Cc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1[N+](=O)[O-] ZINC000000427710 292206880 /nfs/dbraw/zinc/20/68/80/292206880.db2.gz QTRPMMFYDUSLQY-LBPRGKRZSA-N 0 0 340.335 3.149 50 5 EGBARN CC(C)(C)N(C(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1 ZINC000010254416 278338477 /nfs/dbraw/zinc/33/84/77/278338477.db2.gz HKMKXOTVUTYEPQ-UHFFFAOYSA-N 0 0 333.388 3.441 50 5 EGBARN Cc1c2c(=O)cc(C(F)(F)F)oc2c([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000001299118 280259847 /nfs/dbraw/zinc/25/98/47/280259847.db2.gz KZULVICGFZWJNW-UHFFFAOYSA-N 0 0 332.190 3.245 50 5 EGBARN CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000102002 452508740 /nfs/dbraw/zinc/50/87/40/452508740.db2.gz FQAIWOSBTHUSQR-UHFFFAOYSA-N 0 0 328.324 3.332 50 5 EGBARN O=c1c2ccccc2ncn1-c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000000314191 452562249 /nfs/dbraw/zinc/56/22/49/452562249.db2.gz UELDGMNFOJHPDW-UHFFFAOYSA-N 0 0 335.241 3.313 50 5 EGBARN CCOc1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000000445532 452593551 /nfs/dbraw/zinc/59/35/51/452593551.db2.gz KTOXVUQEDBAPME-UHFFFAOYSA-N 0 0 346.339 3.263 50 5 EGBARN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000000452974 452594378 /nfs/dbraw/zinc/59/43/78/452594378.db2.gz DNOBVFSXWYQKJP-UHFFFAOYSA-N 0 0 341.801 3.437 50 5 EGBARN O=C(Cc1ccccc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000456303 452597682 /nfs/dbraw/zinc/59/76/82/452597682.db2.gz UJMOEEUHOKYWHK-UHFFFAOYSA-N 0 0 349.799 3.304 50 5 EGBARN Cc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000000467715 452600725 /nfs/dbraw/zinc/60/07/25/452600725.db2.gz YNMXEBWBKJEICH-UHFFFAOYSA-N 0 0 339.395 3.174 50 5 EGBARN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000000471853 452601986 /nfs/dbraw/zinc/60/19/86/452601986.db2.gz YMBUQYOSAUFIOU-NSHDSACASA-N 0 0 328.324 3.108 50 5 EGBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccn1 ZINC000000525219 452614668 /nfs/dbraw/zinc/61/46/68/452614668.db2.gz LNYQTFARZFJLMK-UHFFFAOYSA-N 0 0 327.369 3.078 50 5 EGBARN COC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000000563810 452624510 /nfs/dbraw/zinc/62/45/10/452624510.db2.gz ARWHICKCBNKCBS-UHFFFAOYSA-N 0 0 348.742 3.216 50 5 EGBARN CN(C)c1cc(C(F)(F)F)cnc1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001401440 452660068 /nfs/dbraw/zinc/66/00/68/452660068.db2.gz PSWJBEBBEWLSEL-UHFFFAOYSA-N 0 0 339.273 3.306 50 5 EGBARN COc1cc(C)ccc1OCCOCCOc1ccccc1[N+](=O)[O-] ZINC000002985582 452738044 /nfs/dbraw/zinc/73/80/44/452738044.db2.gz SCYSWUVICBCTMX-UHFFFAOYSA-N 0 0 347.367 3.386 50 5 EGBARN CC1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)CC1 ZINC000005025374 452832778 /nfs/dbraw/zinc/83/27/78/452832778.db2.gz LMMMEFMVMTVCRR-UHFFFAOYSA-N 0 0 346.366 3.086 50 5 EGBARN COc1ccc2c(c1)oc1nc(C)n3c4ccccc4nc3c1c2=O ZINC000005209001 452845674 /nfs/dbraw/zinc/84/56/74/452845674.db2.gz DUCSZOSLYLWSJX-UHFFFAOYSA-N 0 0 331.331 3.459 50 5 EGBARN CC1(C)CC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)C1 ZINC000005422695 452870515 /nfs/dbraw/zinc/87/05/15/452870515.db2.gz RVPIKKOVDYYRKV-OAHLLOKOSA-N 0 0 342.395 3.064 50 5 EGBARN O=[N+]([O-])c1cccc(-c2nn3c(Cc4ccccc4)nnc3s2)c1 ZINC000013727881 453485686 /nfs/dbraw/zinc/48/56/86/453485686.db2.gz IOGAAMUJMLUXIJ-UHFFFAOYSA-N 0 0 337.364 3.352 50 5 EGBARN CC(C)(C)c1ccc(-c2nn3c(=O)nc4ccccc4c3[nH]c2=O)cc1 ZINC000071924195 454259011 /nfs/dbraw/zinc/25/90/11/454259011.db2.gz ZVYCEWRDFMUFMT-UHFFFAOYSA-N 0 0 346.390 3.308 50 5 EGBARN Cn1c2ccc([N+](=O)[O-])cc2s/c1=N/C(=O)c1ccc(F)c(F)c1 ZINC000100808702 454467988 /nfs/dbraw/zinc/46/79/88/454467988.db2.gz VZYRUBVPVFMQJX-OBGWFSINSA-N 0 0 349.318 3.167 50 5 EGBARN Cc1ccccc1C(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004703771 210252713 /nfs/dbraw/zinc/25/27/13/210252713.db2.gz FZQDDUQGYRAMLT-UHFFFAOYSA-N 0 0 333.775 3.399 50 5 EGBARN Cc1ccc(C[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C)cc1 ZINC000004644553 210236987 /nfs/dbraw/zinc/23/69/87/210236987.db2.gz JXRZPDQEFJDIHE-CXAGYDPISA-N 0 0 338.363 3.271 50 5 EGBARN COc1ccccc1/C=C1\N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000004472941 210196856 /nfs/dbraw/zinc/19/68/56/210196856.db2.gz YWPGPSXCAOSPMZ-ZROIWOOFSA-N 0 0 338.319 3.256 50 5 EGBARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000004121812 210126170 /nfs/dbraw/zinc/12/61/70/210126170.db2.gz PYPLLNCCLNXPDB-CQSZACIVSA-N 0 0 343.364 3.036 50 5 EGBARN CCOC(=O)c1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 ZINC000003879040 210083407 /nfs/dbraw/zinc/08/34/07/210083407.db2.gz HYJZXRDKVBJJLJ-UHFFFAOYSA-N 0 0 328.284 3.051 50 5 EGBARN Cc1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1C ZINC000002762387 209904504 /nfs/dbraw/zinc/90/45/04/209904504.db2.gz YJPBLXZPSIHACW-UHFFFAOYSA-N 0 0 340.339 3.302 50 5 EGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(C(C)=O)cc1 ZINC000001122060 209711936 /nfs/dbraw/zinc/71/19/36/209711936.db2.gz JDLZVPAGWJPEJA-UHFFFAOYSA-N 0 0 329.312 3.450 50 5 EGBARN CCOC(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000000463257 209616492 /nfs/dbraw/zinc/61/64/92/209616492.db2.gz GWSMUQKDCIOYPE-UHFFFAOYSA-N 0 0 328.324 3.332 50 5 EGBARN C[C@@H](NC(=O)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000072329402 216153656 /nfs/dbraw/zinc/15/36/56/216153656.db2.gz XQTNMZXUIPELSI-GFCCVEGCSA-N 0 0 336.351 3.476 50 5 EGBARN COc1cccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)c1 ZINC000022607803 212310342 /nfs/dbraw/zinc/31/03/42/212310342.db2.gz VKKSDONINDBNEB-UHFFFAOYSA-N 0 0 342.358 3.195 50 5 EGBARN COC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2ccc(C)cc12 ZINC000005712210 210522696 /nfs/dbraw/zinc/52/26/96/210522696.db2.gz ZOSLOPYVGVGTEJ-UHFFFAOYSA-N 0 0 338.319 3.174 50 5 EGBARN Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(NCc3ccco3)n2)c1 ZINC000005156315 210402577 /nfs/dbraw/zinc/40/25/77/210402577.db2.gz YQOXEFMWVBLDBI-UHFFFAOYSA-N 0 0 340.343 3.224 50 5 EGBARN CCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000004824790 210288714 /nfs/dbraw/zinc/28/87/14/210288714.db2.gz MYMSSWNUVNZTOK-UHFFFAOYSA-N 0 0 343.339 3.204 50 5 EGBARN CCCCC[C@@H]1C[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)OC1=O ZINC000004765593 210273435 /nfs/dbraw/zinc/27/34/35/210273435.db2.gz SUDVXKUSTUNRBM-IUODEOHRSA-N 0 0 334.372 3.435 50 5 EGBARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000455983 258048326 /nfs/dbraw/zinc/04/83/26/258048326.db2.gz PBWGWEOMUQQDIX-QHHAFSJGSA-N 0 0 330.271 3.115 50 5 EGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nnc(C(F)(F)F)s1 ZINC000000465090 258048553 /nfs/dbraw/zinc/04/85/53/258048553.db2.gz FSTFTGDBEUMBOJ-AATRIKPKSA-N 0 0 344.274 3.117 50 5 EGBARN COc1cc2cc3cc(OC)c(OC)cc3c(=O)cc2cc1OC ZINC000000526078 277395155 /nfs/dbraw/zinc/39/51/55/277395155.db2.gz FDHPXJPGRSQPKV-UHFFFAOYSA-N 0 0 326.348 3.388 50 5 biogenic EGBARN Cc1cc2c(cc1C)[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)CC(=O)N2 ZINC000000089731 452503918 /nfs/dbraw/zinc/50/39/18/452503918.db2.gz XWARSAGBYZCFEX-LLVKDONJSA-N 0 0 340.335 3.414 50 5 EGBARN COc1ccc(C(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2OC)cc1 ZINC000000117779 452512008 /nfs/dbraw/zinc/51/20/08/452512008.db2.gz HWZIIEHAKJWHCE-MDZDMXLPSA-N 0 0 329.308 3.170 50 5 EGBARN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)c1ccco1 ZINC000000179647 452528276 /nfs/dbraw/zinc/52/82/76/452528276.db2.gz ZFEWPXBNQYTRTI-UHFFFAOYSA-N 0 0 341.279 3.285 50 5 EGBARN O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1CCc1ccccc1 ZINC000000296373 452557045 /nfs/dbraw/zinc/55/70/45/452557045.db2.gz NDONCDRCZAJFPM-KRWDZBQOSA-N 0 0 328.393 3.412 50 5 EGBARN COc1cc(C=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000308729 452561225 /nfs/dbraw/zinc/56/12/25/452561225.db2.gz BVKCCICUKWTRGQ-UHFFFAOYSA-N 0 0 335.699 3.289 50 5 EGBARN CC(=O)Nc1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000338600 452565283 /nfs/dbraw/zinc/56/52/83/452565283.db2.gz NGOCXXSSSTYAMN-UHFFFAOYSA-N 0 0 334.715 3.426 50 5 EGBARN COc1ccc(C(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000000432239 452591251 /nfs/dbraw/zinc/59/12/51/452591251.db2.gz IIOYZWSVWCGXCZ-UHFFFAOYSA-N 0 0 331.324 3.046 50 5 EGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(F)cc1 ZINC000000456360 452597387 /nfs/dbraw/zinc/59/73/87/452597387.db2.gz GUAIJCLQSMPWKX-RUDMXATFSA-N 0 0 345.355 3.260 50 5 EGBARN Cc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000000456351 452597699 /nfs/dbraw/zinc/59/76/99/452597699.db2.gz GAQVZPGIUWEXLU-UHFFFAOYSA-N 0 0 339.395 3.174 50 5 EGBARN CCOC(=O)c1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000000466710 452600550 /nfs/dbraw/zinc/60/05/50/452600550.db2.gz WIMDBSVCQUMCEG-UHFFFAOYSA-N 0 0 328.324 3.332 50 5 EGBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2oc1=O ZINC000000467129 452601020 /nfs/dbraw/zinc/60/10/20/452601020.db2.gz BRGZBMZGIHMWQC-UHFFFAOYSA-N 0 0 325.276 3.058 50 5 EGBARN Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2oc(=O)ccc12 ZINC000001021027 452643227 /nfs/dbraw/zinc/64/32/27/452643227.db2.gz LTZTZLQFMALGRT-UHFFFAOYSA-N 0 0 325.276 3.229 50 5 EGBARN O=Cc1ccc(Oc2ccccc2C(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000001063702 452645427 /nfs/dbraw/zinc/64/54/27/452645427.db2.gz PWYDTCYMGCZXQW-UHFFFAOYSA-N 0 0 340.335 3.436 50 5 EGBARN COc1ccc(Cc2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000001179196 452646992 /nfs/dbraw/zinc/64/69/92/452646992.db2.gz HXFZYGSVJJACIJ-UHFFFAOYSA-N 0 0 341.323 3.253 50 5 EGBARN O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2c(=O)oc3ccccc3c2O1 ZINC000001427241 452663894 /nfs/dbraw/zinc/66/38/94/452663894.db2.gz HYTNEFSOJFNLNL-GFCCVEGCSA-N 0 0 337.287 3.142 50 5 EGBARN O=C(NC[C@@H]1CCCO1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002881411 452732856 /nfs/dbraw/zinc/73/28/56/452732856.db2.gz VULNBJAEYUPIRX-KRWDZBQOSA-N 0 0 342.351 3.296 50 5 EGBARN CCOC(=O)CN(Cc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000002884557 452733431 /nfs/dbraw/zinc/73/34/31/452733431.db2.gz MXAWCENBGPEOGY-UHFFFAOYSA-N 0 0 328.368 3.473 50 5 EGBARN COc1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000002979887 452737930 /nfs/dbraw/zinc/73/79/30/452737930.db2.gz BSRNRHLZTQSWLX-UHFFFAOYSA-N 0 0 343.744 3.025 50 5 EGBARN O=C(Nc1ccccc1Cl)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000003069978 452741623 /nfs/dbraw/zinc/74/16/23/452741623.db2.gz LVECNFZBLUPZSO-UHFFFAOYSA-N 0 0 343.730 3.081 50 5 EGBARN O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000004551663 452808308 /nfs/dbraw/zinc/80/83/08/452808308.db2.gz SRTJLGKTMSYZCN-UHFFFAOYSA-N 0 0 330.724 3.188 50 5 EGBARN Cc1nc(N2CCC(C)CC2)nc(N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000004917702 452825133 /nfs/dbraw/zinc/82/51/33/452825133.db2.gz WUMGQIHWZWRABK-UHFFFAOYSA-N 0 0 333.436 3.166 50 5 EGBARN CSc1nc2oc3ccc(Cl)cc3c(=O)c2c(=O)n1C(C)C ZINC000005427197 452871481 /nfs/dbraw/zinc/87/14/81/452871481.db2.gz FHXRMQZCMPPIFI-UHFFFAOYSA-N 0 0 336.800 3.459 50 5 EGBARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000005439854 452873219 /nfs/dbraw/zinc/87/32/19/452873219.db2.gz BUUDOUSSJYLBHO-UHFFFAOYSA-N 0 0 339.351 3.282 50 5 EGBARN CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005455163 452875381 /nfs/dbraw/zinc/87/53/81/452875381.db2.gz BLNVQWORARMFPZ-UHFFFAOYSA-N 0 0 329.312 3.165 50 5 EGBARN O=C(Nc1ccccc1F)c1ccccc1Cn1cc([N+](=O)[O-])cn1 ZINC000006829325 452996707 /nfs/dbraw/zinc/99/67/07/452996707.db2.gz KRVWIAHEWVQLCX-UHFFFAOYSA-N 0 0 340.314 3.231 50 5 EGBARN C[C@@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(NC3CCCCC3)n2)C1 ZINC000013510689 453467054 /nfs/dbraw/zinc/46/70/54/453467054.db2.gz MRCZPRWUCWVCJP-TXEJJXNPSA-N 0 0 348.451 3.194 50 5 EGBARN Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000000064711 526254094 /nfs/dbraw/zinc/25/40/94/526254094.db2.gz AASKTJOHZGIGKQ-UHFFFAOYSA-N 0 0 343.358 3.005 50 5 EGBARN Cc1c(C(=O)NC(=S)Nc2ccccc2F)cccc1[N+](=O)[O-] ZINC000000455596 546507390 /nfs/dbraw/zinc/50/73/90/546507390.db2.gz QHXPBHMMPYWATJ-UHFFFAOYSA-N 0 0 333.344 3.169 50 5 EGBARN O=c1[nH]nc2c3cc([N+](=O)[O-])c(Cl)cc3n3c(c1-2)CCCCC3 ZINC000000478645 1291020147 /nfs/dbraw/zinc/02/01/47/1291020147.db2.gz VRSIVILPFWVZND-UHFFFAOYSA-N 0 0 332.747 3.117 50 5 EGBARN COc1ccc(C2=Nc3ncnn3[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000101140621 219117032 /nfs/dbraw/zinc/11/70/32/219117032.db2.gz JSRIOCHKIFDDSL-QGZVFWFLSA-N 0 0 349.350 3.251 50 5 EGBARN COc1cccc(C2=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000004292063 210162612 /nfs/dbraw/zinc/16/26/12/210162612.db2.gz UFGMEUOVKWPFAK-SFHVURJKSA-N 0 0 339.351 3.301 50 5 EGBARN Cc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000002987067 209950539 /nfs/dbraw/zinc/95/05/39/209950539.db2.gz OVCLDAMMUHRMGD-UHFFFAOYSA-N 0 0 329.381 3.338 50 5 EGBARN O=C(Nc1ncnc2sc3c(c21)CCC3)c1cccc([N+](=O)[O-])c1 ZINC000001106338 209711340 /nfs/dbraw/zinc/71/13/40/209711340.db2.gz CZOJWPKXYXMGCJ-UHFFFAOYSA-N 0 0 340.364 3.341 50 5 EGBARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000505841 209638813 /nfs/dbraw/zinc/63/88/13/209638813.db2.gz BWQHOXMHKHBFDN-GFCCVEGCSA-N 0 0 341.367 3.375 50 5 EGBARN COc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1OC ZINC000000496439 209635436 /nfs/dbraw/zinc/63/54/36/209635436.db2.gz UCNHJAXOQLAIBQ-UHFFFAOYSA-N 0 0 327.296 3.329 50 5 EGBARN O=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F ZINC000000056339 209392958 /nfs/dbraw/zinc/39/29/58/209392958.db2.gz FCOXUHHBZBCQQX-UHFFFAOYSA-N 0 0 340.314 3.236 50 5 aggregator EGBARN CCCCC[C@@H](C)NC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023484955 212380277 /nfs/dbraw/zinc/38/02/77/212380277.db2.gz TVKIFRTZNZRKFV-CYBMUJFWSA-N 0 0 335.404 3.399 50 5 EGBARN Cc1cccc(C)c1NC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000023234622 212361888 /nfs/dbraw/zinc/36/18/88/212361888.db2.gz FSYQOKUUOXONGN-QGZVFWFLSA-N 0 0 327.384 3.453 50 5 EGBARN Cc1ccc(CNC(=O)c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020177603 212109719 /nfs/dbraw/zinc/10/97/19/212109719.db2.gz POCSWARJGJUABU-UHFFFAOYSA-N 0 0 336.351 3.223 50 5 EGBARN O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000019892388 212079927 /nfs/dbraw/zinc/07/99/27/212079927.db2.gz JVGHHOZJROLGNX-UHFFFAOYSA-N 0 0 332.699 3.039 50 5 EGBARN C[C@H]1CCc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000011428410 211216031 /nfs/dbraw/zinc/21/60/31/211216031.db2.gz QVDRSGLCLNDRBT-JTQLQIEISA-N 0 0 347.396 3.194 50 5 EGBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC1CCCCC1 ZINC000009356668 211074474 /nfs/dbraw/zinc/07/44/74/211074474.db2.gz AFTJXDDPARUCLN-UHFFFAOYSA-N 0 0 334.401 3.012 50 5 EGBARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(n[nH]c2-c2ccccc2)N1 ZINC000009320419 211067765 /nfs/dbraw/zinc/06/77/65/211067765.db2.gz YHXHJCBORGJJRV-AWEZNQCLSA-N 0 0 334.335 3.459 50 5 EGBARN Nc1nc(NC2CCCCC2)nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000006317330 210617874 /nfs/dbraw/zinc/61/78/74/210617874.db2.gz ZHXKFZUQRNPASQ-UHFFFAOYSA-N 0 0 334.424 3.456 50 5 EGBARN O=[N+]([O-])c1ccc([S@@](=O)C=C=Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000005946781 210565798 /nfs/dbraw/zinc/56/57/98/210565798.db2.gz QXSDAUIIDSOLAB-AWBWEZLSSA-N 0 0 330.321 3.437 50 5 EGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCc1ccccc1 ZINC000005041981 210372856 /nfs/dbraw/zinc/37/28/56/210372856.db2.gz JZENOIGLXULBSB-UHFFFAOYSA-N 0 0 329.356 3.358 50 5 EGBARN COC(=O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCCC1 ZINC000004990777 210352140 /nfs/dbraw/zinc/35/21/40/210352140.db2.gz QDZIPJVFCKGQSI-OAHLLOKOSA-N 0 0 334.372 3.293 50 5 EGBARN Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000004998476 210354451 /nfs/dbraw/zinc/35/44/51/210354451.db2.gz OAFAVKWTAOBZPC-UHFFFAOYSA-N 0 0 329.381 3.338 50 5 EGBARN O=C1C[C@@H](Sc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000004795898 210280039 /nfs/dbraw/zinc/28/00/39/210280039.db2.gz BLNKTCLJPZPKTO-CQSZACIVSA-N 0 0 328.349 3.019 50 5 EGBARN C[C@H]1C[C@H](C)CN(c2nc(Nc3ccccc3)nc(N)c2[N+](=O)[O-])C1 ZINC000017250363 135712358 /nfs/dbraw/zinc/71/23/58/135712358.db2.gz KKZVMAIMPQQHBR-RYUDHWBXSA-N 0 0 342.403 3.193 50 5 EGBARN CCOC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000040566562 276440684 /nfs/dbraw/zinc/44/06/84/276440684.db2.gz OKDAICMZHCXMHA-JTQLQIEISA-N 0 0 346.305 3.393 50 5 EGBARN COc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=N ZINC000004426752 278058333 /nfs/dbraw/zinc/05/83/33/278058333.db2.gz YQDHHGXYHBSKBA-UHFFFAOYSA-N 0 0 339.307 3.081 50 5 EGBARN O=[N+]([O-])c1c(Br)sc(Br)c1[N+](=O)[O-] ZINC000004897595 280353145 /nfs/dbraw/zinc/35/31/45/280353145.db2.gz AHGHPBPARMANQD-UHFFFAOYSA-N 0 0 331.929 3.090 50 5 in-vitro EGBARN Cc1ccc2[nH]c3c(c(=O)c2c1)CN(Cc1ccc([N+](=O)[O-])cc1)CC3 ZINC000098211061 281026587 /nfs/dbraw/zinc/02/65/87/281026587.db2.gz IKQGTCRDBUCYKN-UHFFFAOYSA-N 0 0 349.390 3.303 50 5 EGBARN O=C(CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(F)cc1 ZINC000000135849 452516959 /nfs/dbraw/zinc/51/69/59/452516959.db2.gz PAFDNYYBXCHVCS-UHFFFAOYSA-N 0 0 349.293 3.230 50 5 EGBARN COc1cccc([C@H](CC#N)OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000185746 452531054 /nfs/dbraw/zinc/53/10/54/452531054.db2.gz LDOULPRDRANOSH-INIZCTEOSA-N 0 0 326.308 3.415 50 5 EGBARN COc1ccc(-c2nc3ccc(Cl)cc3c(=O)o2)cc1[N+](=O)[O-] ZINC000000202943 452535351 /nfs/dbraw/zinc/53/53/51/452535351.db2.gz JQVHNBCXDHHLFW-UHFFFAOYSA-N 0 0 332.699 3.425 50 5 EGBARN C[C@@H]1CN(C(=O)c2ccccc2)O[C@@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000000354208 452567829 /nfs/dbraw/zinc/56/78/29/452567829.db2.gz APMPIMUHXGXVJY-PXAZEXFGSA-N 0 0 328.324 3.086 50 5 EGBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(N)cc1 ZINC000000368132 452573939 /nfs/dbraw/zinc/57/39/39/452573939.db2.gz VNXWABUONDISFF-UHFFFAOYSA-N 0 0 341.396 3.265 50 5 EGBARN COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000000423372 452587058 /nfs/dbraw/zinc/58/70/58/452587058.db2.gz QYMYHJVEFIBPLU-LBPRGKRZSA-N 0 0 328.324 3.086 50 5 EGBARN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000444289 452593107 /nfs/dbraw/zinc/59/31/07/452593107.db2.gz JZBAVRPJIWSIGI-DHZHZOJOSA-N 0 0 326.308 3.033 50 5 EGBARN COc1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000455589 452597522 /nfs/dbraw/zinc/59/75/22/452597522.db2.gz LZDGZLOHQUYWOA-UHFFFAOYSA-N 0 0 345.380 3.039 50 5 EGBARN COc1ccc(CCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000471708 452602281 /nfs/dbraw/zinc/60/22/81/452602281.db2.gz XTDDBVPBZIATRR-ZDUSSCGKSA-N 0 0 328.368 3.066 50 5 EGBARN COc1ccc([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000000509541 452610335 /nfs/dbraw/zinc/61/03/35/452610335.db2.gz QSZZGLMJGPBRKK-NSHDSACASA-N 0 0 330.340 3.103 50 5 EGBARN COc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000000580857 452627654 /nfs/dbraw/zinc/62/76/54/452627654.db2.gz WUBPWIJTXIKBAT-BJMVGYQFSA-N 0 0 328.324 3.264 50 5 EGBARN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000000609617 452630479 /nfs/dbraw/zinc/63/04/79/452630479.db2.gz GDWJGPCVGCFBDT-UHFFFAOYSA-N 0 0 336.369 3.021 50 5 EGBARN CCN(Cc1ccccc1)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000001191402 452647130 /nfs/dbraw/zinc/64/71/30/452647130.db2.gz NMFATOHDIQCLCS-UHFFFAOYSA-N 0 0 344.367 3.274 50 5 EGBARN C[N+](C)([O-])CCCOc1nn(Cc2ccccc2)c2ccccc21 ZINC000002020082 452683079 /nfs/dbraw/zinc/68/30/79/452683079.db2.gz VHKKEFPZHPEYJK-UHFFFAOYSA-N 0 0 325.412 3.428 50 5 in-vitro EGBARN Cc1ccc(S(=O)(=O)C(=CNc2ccccc2F)[N+](=O)[O-])cc1 ZINC000002575597 452704800 /nfs/dbraw/zinc/70/48/00/452704800.db2.gz IQUOBOLNACNDBF-GDNBJRDFSA-N 0 0 336.344 3.096 50 5 EGBARN Cc1nn(CC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1[N+](=O)[O-] ZINC000002762753 452721388 /nfs/dbraw/zinc/72/13/88/452721388.db2.gz HZCWZFPPBBLCBS-UHFFFAOYSA-N 0 0 343.170 3.354 50 5 EGBARN COC(=O)c1cc(C(=O)N[C@@H](C)CCCC(C)C)cc([N+](=O)[O-])c1 ZINC000002988771 452737589 /nfs/dbraw/zinc/73/75/89/452737589.db2.gz ASCUTHWCLJOOIG-LBPRGKRZSA-N 0 0 336.388 3.326 50 5 EGBARN CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005217055 452848445 /nfs/dbraw/zinc/84/84/45/452848445.db2.gz YWXNEVOSBFMCJL-CFGKVWFZSA-N 0 0 349.390 3.232 50 5 EGBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC(C)CC3)n2)cc1 ZINC000005249735 452851437 /nfs/dbraw/zinc/85/14/37/452851437.db2.gz OETCTJFZUXXGGS-UHFFFAOYSA-N 0 0 342.403 3.255 50 5 EGBARN CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000005378549 452865588 /nfs/dbraw/zinc/86/55/88/452865588.db2.gz CIJYRMMFPLHREP-UHFFFAOYSA-N 0 0 333.731 3.459 50 5 EGBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000005674849 452894401 /nfs/dbraw/zinc/89/44/01/452894401.db2.gz QDDROLBKWORAJW-UHFFFAOYSA-N 0 0 330.724 3.188 50 5 EGBARN O=[N+]([O-])c1ccc2[nH]c(SCc3cn4ccccc4n3)nc2c1 ZINC000005819375 452902992 /nfs/dbraw/zinc/90/29/92/452902992.db2.gz QPWFHSJJINRLMW-UHFFFAOYSA-N 0 0 325.353 3.411 50 5 EGBARN O=[N+]([O-])c1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000096769455 454381703 /nfs/dbraw/zinc/38/17/03/454381703.db2.gz HTODTNOGKWVQIH-UHFFFAOYSA-N 0 0 329.375 3.052 50 5 EGBARN Cc1nnc(Sc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)s1 ZINC000015659657 1291155255 /nfs/dbraw/zinc/15/52/55/1291155255.db2.gz KTNNPKDQLXKVQD-UHFFFAOYSA-N 0 0 349.353 3.362 50 5 EGBARN Cc1nc2oc3ccccc3c(=O)c2c(=O)n1CCc1ccccc1 ZINC000002438180 282132946 /nfs/dbraw/zinc/13/29/46/282132946.db2.gz KYIVYGJTZIWMRW-UHFFFAOYSA-N 0 0 332.359 3.054 50 5 EGBARN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000004700285 210252260 /nfs/dbraw/zinc/25/22/60/210252260.db2.gz VFAFYKJWOVHTBR-UHFFFAOYSA-N 0 0 330.724 3.188 50 5 EGBARN O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1Cl ZINC000004524386 210213873 /nfs/dbraw/zinc/21/38/73/210213873.db2.gz SMQCQDQWCZKOHE-UHFFFAOYSA-N 0 0 335.703 3.338 50 5 EGBARN Cc1ccc(C[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C)cc1 ZINC000100548031 219101180 /nfs/dbraw/zinc/10/11/80/219101180.db2.gz JXRZPDQEFJDIHE-SUMWQHHRSA-N 0 0 338.363 3.271 50 5 EGBARN Cc1ccc(C2=Nc3nnnn3[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1C ZINC000101210060 219118543 /nfs/dbraw/zinc/11/85/43/219118543.db2.gz IRBKHFIKQLNKKC-QGZVFWFLSA-N 0 0 348.366 3.254 50 5 EGBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1Br ZINC000004141728 210130852 /nfs/dbraw/zinc/13/08/52/210130852.db2.gz NPTZSEVMQXDFAA-UHFFFAOYSA-N 0 0 328.147 3.066 50 5 EGBARN CCOc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004043744 210107803 /nfs/dbraw/zinc/10/78/03/210107803.db2.gz GHSKJHPEZMSHSC-UHFFFAOYSA-N 0 0 330.340 3.319 50 5 EGBARN Cc1cc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000002774597 209908199 /nfs/dbraw/zinc/90/81/99/209908199.db2.gz UHGYNPFOJNTSNC-UHFFFAOYSA-N 0 0 327.745 3.324 50 5 EGBARN O=[N+]([O-])c1nn(Cc2cccc3cccnc32)cc1Br ZINC000040445590 213304732 /nfs/dbraw/zinc/30/47/32/213304732.db2.gz DPGYWRLZYLJMOE-UHFFFAOYSA-N 0 0 333.145 3.150 50 5 EGBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN=C1SCc1ccccc1 ZINC000000429402 209595291 /nfs/dbraw/zinc/59/52/91/209595291.db2.gz YLRXYVAOAXHSOA-UHFFFAOYSA-N 0 0 341.392 3.340 50 5 EGBARN O=C(NCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000023142367 212355003 /nfs/dbraw/zinc/35/50/03/212355003.db2.gz IKSNGNPMDMLRJM-UHFFFAOYSA-N 0 0 338.722 3.196 50 5 EGBARN CCOc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1[N+](=O)[O-] ZINC000226274684 242094337 /nfs/dbraw/zinc/09/43/37/242094337.db2.gz MSQLLGNNCMUHCX-NSHDSACASA-N 0 0 330.340 3.299 50 5 EGBARN Cc1nnsc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000020894209 212183282 /nfs/dbraw/zinc/18/32/82/212183282.db2.gz RRQCYWAELREYPE-UHFFFAOYSA-N 0 0 332.263 3.026 50 5 EGBARN O=[N+]([O-])c1cc(Oc2ccc(F)c(Cl)c2)cc(-n2cnnn2)c1 ZINC000012428548 211378811 /nfs/dbraw/zinc/37/88/11/211378811.db2.gz QQEJKIZVDOKMPI-UHFFFAOYSA-N 0 0 335.682 3.155 50 5 EGBARN CCN(C(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005063731 210380005 /nfs/dbraw/zinc/38/00/05/210380005.db2.gz SXAVDNWUUBPBGI-UHFFFAOYSA-N 0 0 343.383 3.320 50 5 EGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000005041778 210372970 /nfs/dbraw/zinc/37/29/70/210372970.db2.gz LWNPBOWNHDJFJO-UHFFFAOYSA-N 0 0 345.311 3.019 50 5 EGBARN COc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc21 ZINC000005006752 210359105 /nfs/dbraw/zinc/35/91/05/210359105.db2.gz VAGYXDMVVOTCTM-UHFFFAOYSA-N 0 0 329.337 3.465 50 5 EGBARN COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000004980351 210348707 /nfs/dbraw/zinc/34/87/07/210348707.db2.gz UFUOFELWPRAKDS-UHFFFAOYSA-N 0 0 336.369 3.021 50 5 EGBARN CCOc1ccc(NC(=S)NC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004982274 210347758 /nfs/dbraw/zinc/34/77/58/210347758.db2.gz YUMRLRIIIKXOEY-UHFFFAOYSA-N 0 0 345.380 3.120 50 5 EGBARN COc1cc2c(c(OC)c1)[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000004912953 210321405 /nfs/dbraw/zinc/32/14/05/210321405.db2.gz BTZJLCKHWRZWMY-CYBMUJFWSA-N 0 0 328.324 3.086 50 5 EGBARN O=C(CSc1n[nH]c(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000004894850 210314196 /nfs/dbraw/zinc/31/41/96/210314196.db2.gz POWLTCZYCNKYRN-UHFFFAOYSA-N 0 0 340.364 3.355 50 5 EGBARN COc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004819606 210285966 /nfs/dbraw/zinc/28/59/66/210285966.db2.gz FDHPIAXIQUIWOA-UHFFFAOYSA-N 0 0 336.731 3.274 50 5 EGBARN COc1cc(C=O)ccc1OCCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004831772 210290840 /nfs/dbraw/zinc/29/08/40/210290840.db2.gz XFYGIOROCXBEFY-UHFFFAOYSA-N 0 0 329.308 3.068 50 5 EGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(C)ccc1C ZINC000004804264 210280435 /nfs/dbraw/zinc/28/04/35/210280435.db2.gz HEHOMXPINBBCQD-UHFFFAOYSA-N 0 0 330.340 3.238 50 5 EGBARN CC[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000006489253 258051952 /nfs/dbraw/zinc/05/19/52/258051952.db2.gz ZSVBDIQKUIVXIO-ZJZJNUNYSA-N 0 0 346.431 3.053 50 5 EGBARN O=[N+]([O-])c1ccc(N2CCN(Cc3cc(F)ccc3F)CC2)cc1 ZINC000055291959 132194434 /nfs/dbraw/zinc/19/44/34/132194434.db2.gz XIEMGWDCAVWNGW-UHFFFAOYSA-N 0 0 333.338 3.195 50 5 EGBARN Cc1ccc(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)c([N+](=O)[O-])c1 ZINC000004580154 292155872 /nfs/dbraw/zinc/15/58/72/292155872.db2.gz OCGMCJACSMMEQE-LBPRGKRZSA-N 0 0 332.356 3.108 50 5 EGBARN CCCCCC(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000005063721 276226427 /nfs/dbraw/zinc/22/64/27/276226427.db2.gz FSZJLQSVZXZPLE-UHFFFAOYSA-N 0 0 339.823 3.477 50 5 EGBARN CC(=O)C[C@H](c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000437964 276941753 /nfs/dbraw/zinc/94/17/53/276941753.db2.gz LNLCKGRDHSAZSG-MRXNPFEDSA-N 0 0 333.365 3.089 50 5 EGBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCCCCC3)n2)cc1 ZINC000005157833 280918402 /nfs/dbraw/zinc/91/84/02/280918402.db2.gz HYDJXZLDYNUEAL-UHFFFAOYSA-N 0 0 342.403 3.399 50 5 EGBARN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000000561760 281968398 /nfs/dbraw/zinc/96/83/98/281968398.db2.gz WKOGNKSUYAPFCN-UHFFFAOYSA-N 0 0 336.145 3.313 50 5 EGBARN O=C(C1CCCC1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 ZINC000004120639 295444140 /nfs/dbraw/zinc/44/41/40/295444140.db2.gz QNMZSKDTIGNMRV-UHFFFAOYSA-N 0 0 333.413 3.216 50 5 EGBARN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000000181597 452529275 /nfs/dbraw/zinc/52/92/75/452529275.db2.gz BXGHDQTYELTWIQ-SFHVURJKSA-N 0 0 339.351 3.301 50 5 EGBARN COc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000000184140 452531738 /nfs/dbraw/zinc/53/17/38/452531738.db2.gz OCPRLZMSCNNWQP-RMKNXTFCSA-N 0 0 328.324 3.264 50 5 biogenic EGBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(N)c1 ZINC000000360966 452572382 /nfs/dbraw/zinc/57/23/82/452572382.db2.gz QNWCOJGRASLRSK-UHFFFAOYSA-N 0 0 341.396 3.265 50 5 EGBARN CCOC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000437288 452590868 /nfs/dbraw/zinc/59/08/68/452590868.db2.gz WZYJJSGXDBKHED-UHFFFAOYSA-N 0 0 328.324 3.332 50 5 EGBARN O=C(COC(=O)c1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000000459177 452599287 /nfs/dbraw/zinc/59/92/87/452599287.db2.gz BBCACHUDIFSULF-UHFFFAOYSA-N 0 0 336.303 3.183 50 5 EGBARN O=C(CSc1nc2ccccc2o1)Nc1cccc([N+](=O)[O-])c1 ZINC000001878416 452681729 /nfs/dbraw/zinc/68/17/29/452681729.db2.gz QDDILBPXSUGCCA-UHFFFAOYSA-N 0 0 329.337 3.467 50 5 EGBARN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000002102754 452685901 /nfs/dbraw/zinc/68/59/01/452685901.db2.gz RVQQMVADDVGFHT-AWEZNQCLSA-N 0 0 329.312 3.384 50 5 EGBARN CSc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000002166276 452687511 /nfs/dbraw/zinc/68/75/11/452687511.db2.gz HHNVLGNFQHZCSN-UHFFFAOYSA-N 0 0 333.325 3.477 50 5 EGBARN O=C(Oc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002736655 452719367 /nfs/dbraw/zinc/71/93/67/452719367.db2.gz DWQGOSHMJOSODY-UHFFFAOYSA-N 0 0 339.263 3.270 50 5 EGBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(F)cc2s1 ZINC000002845777 452729466 /nfs/dbraw/zinc/72/94/66/452729466.db2.gz JXIYQYOFZDYNRA-UHFFFAOYSA-N 0 0 347.327 3.361 50 5 EGBARN Cc1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000002972721 452738150 /nfs/dbraw/zinc/73/81/50/452738150.db2.gz XHVYNZGEIWZXLG-UHFFFAOYSA-N 0 0 333.344 3.169 50 5 EGBARN O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccc([N+](=O)[O-])c1 ZINC000003132966 452745011 /nfs/dbraw/zinc/74/50/11/452745011.db2.gz BIZJBUMBHJRGHC-UHFFFAOYSA-N 0 0 346.346 3.403 50 5 EGBARN COc1ccccc1Nc1nc(NCCC(C)C)nc(N)c1[N+](=O)[O-] ZINC000005164726 452841964 /nfs/dbraw/zinc/84/19/64/452841964.db2.gz WFTNYVFLIWOVLE-UHFFFAOYSA-N 0 0 346.391 3.177 50 5 EGBARN COc1cccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000005342734 452861020 /nfs/dbraw/zinc/86/10/20/452861020.db2.gz ZYEOINCNEWLZOB-DHDCSXOGSA-N 0 0 338.319 3.256 50 5 EGBARN COC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccc(C)cc12 ZINC000005712202 452897790 /nfs/dbraw/zinc/89/77/90/452897790.db2.gz LEMQNMRNTOKXEO-UHFFFAOYSA-N 0 0 338.319 3.174 50 5 EGBARN O=Cc1cc([N+](=O)[O-])ccc1Sc1n[nH]c(-c2ccccc2)n1 ZINC000005999679 452915526 /nfs/dbraw/zinc/91/55/26/452915526.db2.gz GIGWIFDSTAIOKX-UHFFFAOYSA-N 0 0 326.337 3.344 50 5 EGBARN O=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1SCCO ZINC000013880582 453491346 /nfs/dbraw/zinc/49/13/46/453491346.db2.gz KKIWFCJUIOGEGB-UHFFFAOYSA-N 0 0 342.376 3.188 50 5 EGBARN O=[N+]([O-])c1cccc(CSc2nnc3[nH]c4ccccc4n32)c1 ZINC000017946130 453639978 /nfs/dbraw/zinc/63/99/78/453639978.db2.gz DCVHOIUFKCYIPB-UHFFFAOYSA-N 0 0 325.353 3.411 50 5 EGBARN CCN(Cc1ccc(C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000095634837 454232081 /nfs/dbraw/zinc/23/20/81/454232081.db2.gz YESMQOFCWVUVNT-UHFFFAOYSA-N 0 0 334.397 3.114 50 5 EGBARN CCCc1ccccc1OC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 ZINC000004410271 210189854 /nfs/dbraw/zinc/18/98/54/210189854.db2.gz ROWIEUMCCQCRLY-UHFFFAOYSA-N 0 0 346.364 3.075 50 5 EGBARN COc1cccc(C2=Nc3ncnn3[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000101157530 219117788 /nfs/dbraw/zinc/11/77/88/219117788.db2.gz LMPFKCKNKHIQTL-QGZVFWFLSA-N 0 0 349.350 3.251 50 5 EGBARN Cc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000004090399 210118057 /nfs/dbraw/zinc/11/80/57/210118057.db2.gz UHLNZMMVPANEAD-UHFFFAOYSA-N 0 0 329.381 3.338 50 5 EGBARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000001056242 209704557 /nfs/dbraw/zinc/70/45/57/209704557.db2.gz VCGCFOINQOCDAU-UHFFFAOYSA-N 0 0 339.351 3.083 50 5 EGBARN CC(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000299952 209522828 /nfs/dbraw/zinc/52/28/28/209522828.db2.gz OJPPYOXRGRAXSQ-UHFFFAOYSA-N 0 0 334.715 3.426 50 5 EGBARN COc1cc(OC)cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000000085386 209409764 /nfs/dbraw/zinc/40/97/64/209409764.db2.gz FAVPFPUAJLCNPY-UHFFFAOYSA-N 0 0 327.296 3.329 50 5 EGBARN COc1ccccc1-n1ccc2c(cnc3nc4ccccc4n32)c1=O ZINC000022607808 212310424 /nfs/dbraw/zinc/31/04/24/212310424.db2.gz MGESLRFLDYZUME-UHFFFAOYSA-N 0 0 342.358 3.195 50 5 EGBARN CCc1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000007342108 210785851 /nfs/dbraw/zinc/78/58/51/210785851.db2.gz IBRGGDBOTHHYEG-UHFFFAOYSA-N 0 0 327.749 3.169 50 5 EGBARN O=C1Nc2ccc(Br)cc2/C1=C/c1ccc([N+](=O)[O-])o1 ZINC000000099146 284926648 /nfs/dbraw/zinc/92/66/48/284926648.db2.gz ZMACROWEZVOBML-POHAHGRESA-N 0 0 335.113 3.443 50 5 EGBARN COc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1[N+](=O)[O-] ZINC000004904236 210317389 /nfs/dbraw/zinc/31/73/89/210317389.db2.gz RYRVHELHXOCXAL-UHFFFAOYSA-N 0 0 333.369 3.191 50 5 EGBARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000004894129 210315183 /nfs/dbraw/zinc/31/51/83/210315183.db2.gz KVOHCKAHVICHBS-OAHLLOKOSA-N 0 0 330.340 3.400 50 5 EGBARN Cc1ccc2nsnc2c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000004867761 210306923 /nfs/dbraw/zinc/30/69/23/210306923.db2.gz PVMLXIKVLYOBPQ-UHFFFAOYSA-N 0 0 328.353 3.469 50 5 EGBARN O=C(COc1ccc(Cl)cc1Cl)Nc1ncc([N+](=O)[O-])s1 ZINC000004833872 210291667 /nfs/dbraw/zinc/29/16/67/210291667.db2.gz YQQSCASAFGVRTA-UHFFFAOYSA-N 0 0 348.167 3.376 50 5 EGBARN Cc1nc(Cl)c(C(=O)NCCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000004754027 210271211 /nfs/dbraw/zinc/27/12/11/210271211.db2.gz PSRCNGLQUTUBAF-UHFFFAOYSA-N 0 0 333.775 3.233 50 5 EGBARN Cc1ccc(Nc2nc(N3CCC[C@@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000004305903 135663584 /nfs/dbraw/zinc/66/35/84/135663584.db2.gz VKJLJBCUPLGVOY-GFCCVEGCSA-N 0 0 342.403 3.255 50 5 EGBARN CC[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000000619580 276648504 /nfs/dbraw/zinc/64/85/04/276648504.db2.gz GCKSHVWBEKQGSX-LBPRGKRZSA-N 0 0 330.340 3.106 50 5 EGBARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)oc3ccccc3c2O1 ZINC000001427552 280273587 /nfs/dbraw/zinc/27/35/87/280273587.db2.gz ZTUPZVREZGEDJE-CYBMUJFWSA-N 0 0 337.287 3.142 50 5 EGBARN Cc1cc(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c(Cl)cc1Cl ZINC000000091617 452504831 /nfs/dbraw/zinc/50/48/31/452504831.db2.gz BPQWJZPSUYKDSY-UHFFFAOYSA-N 0 0 347.179 3.438 50 5 EGBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000000101968 452508634 /nfs/dbraw/zinc/50/86/34/452508634.db2.gz MNHIASWCDSANIX-UHFFFAOYSA-N 0 0 345.786 3.211 50 5 EGBARN Cn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1cccnc1 ZINC000000221647 452540660 /nfs/dbraw/zinc/54/06/60/452540660.db2.gz JTDJFMOHMNVLIY-UHFFFAOYSA-N 0 0 327.369 3.078 50 5 EGBARN Cc1cc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1 ZINC000000304392 452559452 /nfs/dbraw/zinc/55/94/52/452559452.db2.gz AFOFFADWXUVTTL-UHFFFAOYSA-N 0 0 338.360 3.460 50 5 EGBARN COC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000000308940 452560806 /nfs/dbraw/zinc/56/08/06/452560806.db2.gz XSBKPHZEBASRAE-UHFFFAOYSA-N 0 0 335.699 3.254 50 5 EGBARN Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000456280 452596678 /nfs/dbraw/zinc/59/66/78/452596678.db2.gz STMVUOHQLWTNDY-UHFFFAOYSA-N 0 0 329.381 3.338 50 5 EGBARN COc1ccccc1N1CC=C(c2cccc([N+](=O)[O-])c2)NC1=O ZINC000000501485 452608660 /nfs/dbraw/zinc/60/86/60/452608660.db2.gz JIAGZNMPGSZKSD-UHFFFAOYSA-N 0 0 325.324 3.174 50 5 EGBARN O=C(COC(=O)c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000572778 452625972 /nfs/dbraw/zinc/62/59/72/452625972.db2.gz CYRWGTDXIGXPKT-UHFFFAOYSA-N 0 0 337.690 3.427 50 5 EGBARN CCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)NC1=S ZINC000000587746 452630163 /nfs/dbraw/zinc/63/01/63/452630163.db2.gz UDRLTYLAQZSNOW-XFXZXTDPSA-N 0 0 343.364 3.344 50 5 EGBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccccc1C(F)(F)F ZINC000001163882 452646812 /nfs/dbraw/zinc/64/68/12/452646812.db2.gz NWWCJVYCPWHZMY-UHFFFAOYSA-N 0 0 336.225 3.414 50 5 EGBARN Cc1nc(C(=O)Nc2ccc(C)cc2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000001397426 452659646 /nfs/dbraw/zinc/65/96/46/452659646.db2.gz YBURBHSGNNTXAK-UHFFFAOYSA-N 0 0 337.339 3.045 50 5 EGBARN O=[N+]([O-])c1cccnc1-n1cnc(SCCC(F)=C(F)F)n1 ZINC000001398587 452660255 /nfs/dbraw/zinc/66/02/55/452660255.db2.gz USBQJYCSTQYURU-UHFFFAOYSA-N 0 0 331.279 3.130 50 5 EGBARN COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002054519 452685660 /nfs/dbraw/zinc/68/56/60/452685660.db2.gz BQFFBADATPSGRF-UHFFFAOYSA-N 0 0 331.284 3.072 50 5 EGBARN CCCOC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000002745420 452718125 /nfs/dbraw/zinc/71/81/25/452718125.db2.gz ZABJJVACMOYEEP-UHFFFAOYSA-N 0 0 328.324 3.414 50 5 EGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2F)CC1 ZINC000004845134 452821410 /nfs/dbraw/zinc/82/14/10/452821410.db2.gz MWEDYVUPMLQRLF-UHFFFAOYSA-N 0 0 344.346 3.088 50 5 EGBARN C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(NC3CCCCC3)n2)C1 ZINC000005025221 452831739 /nfs/dbraw/zinc/83/17/39/452831739.db2.gz MRCZPRWUCWVCJP-VXGBXAGGSA-N 0 0 348.451 3.194 50 5 EGBARN O=C1NC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1Cl ZINC000005450551 452872723 /nfs/dbraw/zinc/87/27/23/452872723.db2.gz NVEDVGFTZKTOKN-NTEUORMPSA-N 0 0 327.727 3.166 50 5 EGBARN C[C@@H](CCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005671467 452893507 /nfs/dbraw/zinc/89/35/07/452893507.db2.gz PDSUBFYCAJZIFX-LBPRGKRZSA-N 0 0 343.339 3.254 50 5 EGBARN C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(Nc3ccccc3)n2)C1 ZINC000006399306 452940619 /nfs/dbraw/zinc/94/06/19/452940619.db2.gz WCAAOOOSSHKGQM-RYUDHWBXSA-N 0 0 342.403 3.193 50 5 EGBARN COc1cccc2c(=O)c3c(O)cc(O[C@@H](C)C(C)=O)cc3oc12 ZINC000008488466 453209499 /nfs/dbraw/zinc/20/94/99/453209499.db2.gz WFDOBTGMMVTVRH-JTQLQIEISA-N 0 0 328.320 3.017 50 5 biogenic EGBARN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000018323843 453650342 /nfs/dbraw/zinc/65/03/42/453650342.db2.gz NNHSCFJNMAXIII-UHFFFAOYSA-N 0 0 326.337 3.366 50 5 EGBARN CCc1ccc(-c2nn3c([nH]c2=O)c2ccccc2nc3=S)cc1 ZINC000071924199 454259321 /nfs/dbraw/zinc/25/93/21/454259321.db2.gz KEZJXAYFSBXTLE-UHFFFAOYSA-N 0 0 334.404 3.156 50 5 EGBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccccc1F ZINC000004622084 210234072 /nfs/dbraw/zinc/23/40/72/210234072.db2.gz WFPLNGUCBVWHLM-UHFFFAOYSA-N 0 0 333.344 3.169 50 5 EGBARN CCOc1ccc(NC(=O)c2cc(OC)cc(OC)c2)c([N+](=O)[O-])c1 ZINC000004031839 210105194 /nfs/dbraw/zinc/10/51/94/210105194.db2.gz CCGOYYGWEDOKJZ-UHFFFAOYSA-N 0 0 346.339 3.263 50 5 EGBARN CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC000067800662 215215705 /nfs/dbraw/zinc/21/57/05/215215705.db2.gz CBCFZZURSRZZKF-LLVKDONJSA-N 0 0 326.324 3.122 50 5 EGBARN CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1 ZINC000002056251 209816032 /nfs/dbraw/zinc/81/60/32/209816032.db2.gz SOAXRMMZYJGHOD-UHFFFAOYSA-N 0 0 345.311 3.326 50 5 EGBARN COc1ccc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1 ZINC000000189068 209473159 /nfs/dbraw/zinc/47/31/59/209473159.db2.gz UHJRNFKLYYMVAT-GOSISDBHSA-N 0 0 339.351 3.301 50 5 EGBARN CCOc1ccccc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000000060820 209394146 /nfs/dbraw/zinc/39/41/46/209394146.db2.gz ZCOZUPSUINIYQS-UHFFFAOYSA-N 0 0 344.323 3.032 50 5 EGBARN Cc1ccc(C)c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000010327843 211164455 /nfs/dbraw/zinc/16/44/55/211164455.db2.gz UVFOTXFOEHMESG-UHFFFAOYSA-N 0 0 327.340 3.097 50 5 EGBARN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1ccc([N+](=O)[O-])cc1Cl ZINC000009134396 211043229 /nfs/dbraw/zinc/04/32/29/211043229.db2.gz BAJWPDRYCUNOLK-UHFFFAOYSA-N 0 0 345.742 3.385 50 5 EGBARN Cc1cccc(-n2nc([N+](=O)[O-])c(NCCC3=CCCCC3)[n+]2[O-])c1 ZINC000004807255 210282288 /nfs/dbraw/zinc/28/22/88/210282288.db2.gz JRAJXEJWZFFTKD-UHFFFAOYSA-N 0 0 343.387 3.025 50 5 EGBARN Cc1cccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000000432864 135650242 /nfs/dbraw/zinc/65/02/42/135650242.db2.gz RHBCHIFWDLJIMH-UHFFFAOYSA-N 0 0 339.395 3.174 50 5 EGBARN Cc1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000000457114 262518605 /nfs/dbraw/zinc/51/86/05/262518605.db2.gz GLBYUEKHUNAHSF-SOFGYWHQSA-N 0 0 326.308 3.284 50 5 EGBARN CC[C@H]1Oc2cc([N+](=O)[O-])ccc2N(Cc2ccc(F)cc2)C1=O ZINC000061997496 276643021 /nfs/dbraw/zinc/64/30/21/276643021.db2.gz KKPZCLZZNBYYOC-OAHLLOKOSA-N 0 0 330.315 3.438 50 5 EGBARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(=O)oc3ccccc3c2O1 ZINC000001427553 280269467 /nfs/dbraw/zinc/26/94/67/280269467.db2.gz ZTUPZVREZGEDJE-ZDUSSCGKSA-N 0 0 337.287 3.142 50 5 EGBARN Cc1cc([N+](=O)[O-])cc(Br)c1I ZINC000036532864 280655538 /nfs/dbraw/zinc/65/55/38/280655538.db2.gz BFWDGQAYWTWHQT-UHFFFAOYSA-N 0 0 341.930 3.270 50 5 EGBARN Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc([N+](=O)[O-])s1)n2C ZINC000100811998 281132228 /nfs/dbraw/zinc/13/22/28/281132228.db2.gz VVMFXNNHONYBMA-CCEZHUSRSA-N 0 0 333.394 3.259 50 5 EGBARN CCN(CC)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000137061 452518169 /nfs/dbraw/zinc/51/81/69/452518169.db2.gz PNXLSXZPIMXZSX-UHFFFAOYSA-N 0 0 349.412 3.242 50 5 EGBARN CCOc1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000000145233 452518761 /nfs/dbraw/zinc/51/87/61/452518761.db2.gz HDHPQPCTCYPJHN-UHFFFAOYSA-N 0 0 346.339 3.020 50 5 EGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN=C1SCc1ccccc1 ZINC000000429404 452589315 /nfs/dbraw/zinc/58/93/15/452589315.db2.gz SSPUTHPBDOONBQ-UHFFFAOYSA-N 0 0 341.392 3.340 50 5 EGBARN CC(=O)COc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1 ZINC000000463384 452598271 /nfs/dbraw/zinc/59/82/71/452598271.db2.gz AKOXIUKCNHVCSQ-UHFFFAOYSA-N 0 0 339.303 3.336 50 5 EGBARN COC(=O)c1ccccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000471797 452602830 /nfs/dbraw/zinc/60/28/30/452602830.db2.gz GEBHKQRCGUTCMK-NSHDSACASA-N 0 0 328.324 3.124 50 5 EGBARN CCOC(=O)c1cccc(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000000616082 452633398 /nfs/dbraw/zinc/63/33/98/452633398.db2.gz WILNXFXITPDARI-UHFFFAOYSA-N 0 0 343.335 3.437 50 5 EGBARN COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000002156145 452688159 /nfs/dbraw/zinc/68/81/59/452688159.db2.gz FUVYBBAAYGNVCE-UHFFFAOYSA-N 0 0 346.339 3.181 50 5 EGBARN CCc1nc2oc3ccccc3c(=O)c2c(=O)n1CCc1ccccc1 ZINC000002238112 452690303 /nfs/dbraw/zinc/69/03/03/452690303.db2.gz NRMNAPQIWVNYIL-UHFFFAOYSA-N 0 0 346.386 3.308 50 5 EGBARN Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1[C@@H](C)c1ccccc1 ZINC000002241327 452691083 /nfs/dbraw/zinc/69/10/83/452691083.db2.gz AOICXUBZGLBTRD-ZDUSSCGKSA-N 0 0 345.402 3.166 50 5 EGBARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1 ZINC000002862335 452730746 /nfs/dbraw/zinc/73/07/46/452730746.db2.gz XHRQWZDFHJPZSQ-UHFFFAOYSA-N 0 0 346.324 3.008 50 5 EGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccccc1 ZINC000002992027 452739086 /nfs/dbraw/zinc/73/90/86/452739086.db2.gz POVHTRCWMYFZNG-UHFFFAOYSA-N 0 0 330.340 3.401 50 5 EGBARN O=C(c1cccc(Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000004187775 452797267 /nfs/dbraw/zinc/79/72/67/452797267.db2.gz GXUSIROMDCBJQV-UHFFFAOYSA-N 0 0 345.786 3.211 50 5 EGBARN Cc1ccc(Nc2nc(N3CCCCC3)nc(N)c2[N+](=O)[O-])cc1C ZINC000005029793 452832360 /nfs/dbraw/zinc/83/23/60/452832360.db2.gz IDVPFWVFONNSBN-UHFFFAOYSA-N 0 0 342.403 3.318 50 5 EGBARN COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000005214124 452848496 /nfs/dbraw/zinc/84/84/96/452848496.db2.gz YDUPLMBQFJBUFN-ONNFQVAWSA-N 0 0 328.324 3.264 50 5 EGBARN COc1ccc(Nc2nc(NCCC(C)C)nc(N)c2[N+](=O)[O-])cc1 ZINC000005249636 452851825 /nfs/dbraw/zinc/85/18/25/452851825.db2.gz BIVDZOLEQKYTEW-UHFFFAOYSA-N 0 0 346.391 3.177 50 5 EGBARN Cc1nc2cc(SCc3ccccc3)cc([N+](=O)[O-])c2c(=O)n1C ZINC000006668368 452967063 /nfs/dbraw/zinc/96/70/63/452967063.db2.gz ZUKUCASNVCHGPZ-UHFFFAOYSA-N 0 0 341.392 3.442 50 5 EGBARN O=[N+]([O-])c1ccccc1Oc1ccc2nnc(-c3ccccc3)n2n1 ZINC000013725285 453483673 /nfs/dbraw/zinc/48/36/73/453483673.db2.gz UCHBPTVLZYWQRI-UHFFFAOYSA-N 0 0 333.307 3.492 50 5 EGBARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000013858140 453491323 /nfs/dbraw/zinc/49/13/23/453491323.db2.gz QUYVRWSCKHJQIA-UHFFFAOYSA-N 0 0 341.298 3.345 50 5 EGBARN O=[N+]([O-])c1ccc(CO[C@H]2C[C@H]3[C@@H]4[C@H]5[C@@H]([C@H]6C[C@H]6[C@@H]35)[C@@H]42)c([N+](=O)[O-])c1 ZINC000247325178 455588281 /nfs/dbraw/zinc/58/82/81/455588281.db2.gz NEBJMRBTFOQIIY-PEHNEMHESA-N 0 0 342.351 3.166 50 5 EGBARN O=[N+]([O-])c1ccc(-c2csc(=Nc3ccccc3)n2CCO)cc1 ZINC000254310196 455855454 /nfs/dbraw/zinc/85/54/54/455855454.db2.gz SLQVUUDOKHUMEC-UHFFFAOYSA-N 0 0 341.392 3.350 50 5 EGBARN Cc1cc(C)c(Nc2nc(=O)c3cccnc3s2)c([N+](=O)[O-])c1 ZINC000004622691 210233155 /nfs/dbraw/zinc/23/31/55/210233155.db2.gz ORZFNCLHMDPTOP-UHFFFAOYSA-N 0 0 328.353 3.320 50 5 EGBARN O=[N+]([O-])c1cccc(C2=Nc3ncnn3[C@H](c3ccccc3F)C2)c1 ZINC000101215691 219120146 /nfs/dbraw/zinc/12/01/46/219120146.db2.gz UZJZWFHTNCQDCO-INIZCTEOSA-N 0 0 337.314 3.381 50 5 EGBARN COc1cccc(C2=NN(C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000004292064 210162958 /nfs/dbraw/zinc/16/29/58/210162958.db2.gz UFGMEUOVKWPFAK-GOSISDBHSA-N 0 0 339.351 3.301 50 5 EGBARN Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248341 210151775 /nfs/dbraw/zinc/15/17/75/210151775.db2.gz NSXLIEUDHCRWKF-UHFFFAOYSA-N 0 0 330.340 3.108 50 5 EGBARN COc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000004090414 210117895 /nfs/dbraw/zinc/11/78/95/210117895.db2.gz PUBYRFPEZCWRRW-UHFFFAOYSA-N 0 0 345.380 3.039 50 5 EGBARN COc1ccc(OCCOCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000002983847 209949401 /nfs/dbraw/zinc/94/94/01/209949401.db2.gz BNPFTTUSHGXOTP-UHFFFAOYSA-N 0 0 333.340 3.078 50 5 EGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002742129 209901062 /nfs/dbraw/zinc/90/10/62/209901062.db2.gz SHRWPWSIWUPWEG-UHFFFAOYSA-N 0 0 335.703 3.338 50 5 EGBARN COc1cc(C(=O)Nc2ccc(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000000445425 209605699 /nfs/dbraw/zinc/60/56/99/209605699.db2.gz XPNMBIKPESWKNO-UHFFFAOYSA-N 0 0 330.340 3.481 50 5 EGBARN O=C(NC1CCCCCC1)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 ZINC000072329369 216153597 /nfs/dbraw/zinc/15/35/97/216153597.db2.gz QBSBYFCBQUYODC-UHFFFAOYSA-N 0 0 328.372 3.438 50 5 EGBARN COC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000000063882 209397317 /nfs/dbraw/zinc/39/73/17/209397317.db2.gz OYJYVCBAXAEMCJ-CMDGGOBGSA-N 0 0 326.308 3.033 50 5 EGBARN COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000047733 209388784 /nfs/dbraw/zinc/38/87/84/209388784.db2.gz QUKHLSHBVYPHCA-UHFFFAOYSA-N 0 0 334.715 3.287 50 5 EGBARN O=[N+]([O-])c1c2nonc2c(N2CCCCC2)cc1N1CCCCC1 ZINC000004828698 285080618 /nfs/dbraw/zinc/08/06/18/285080618.db2.gz ITZGXYOPYJHBCV-UHFFFAOYSA-N 0 0 331.376 3.112 50 5 EGBARN CC(=O)Oc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005378999 210453803 /nfs/dbraw/zinc/45/38/03/210453803.db2.gz LBFQQBFHGYCEDO-UHFFFAOYSA-N 0 0 334.715 3.426 50 5 EGBARN COc1ccc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000004999174 210355935 /nfs/dbraw/zinc/35/59/35/210355935.db2.gz OAXPKLOYYBCAKN-UHFFFAOYSA-N 0 0 347.396 3.099 50 5 EGBARN O=C(NCc1ccc(F)cc1)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 ZINC000004927335 210325163 /nfs/dbraw/zinc/32/51/63/210325163.db2.gz KLHFIHGXSFGLBK-UHFFFAOYSA-N 0 0 340.314 3.054 50 5 EGBARN O=C(NC[C@H]1CCCO1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000004839779 210294899 /nfs/dbraw/zinc/29/48/99/210294899.db2.gz JZHQJQIPHGPUGA-QGZVFWFLSA-N 0 0 342.351 3.296 50 5 EGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000004834037 210291889 /nfs/dbraw/zinc/29/18/89/210291889.db2.gz TWTVWINNMBKDIE-JTQLQIEISA-N 0 0 345.311 3.254 50 5 EGBARN CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000000465128 258048504 /nfs/dbraw/zinc/04/85/04/258048504.db2.gz DVPBEOKGNLCTEH-DHZHZOJOSA-N 0 0 340.335 3.423 50 5 EGBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccccc1F ZINC000004797789 135666452 /nfs/dbraw/zinc/66/64/52/135666452.db2.gz FUHFKMPCBIPALW-CYBMUJFWSA-N 0 0 343.358 3.085 50 5 EGBARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000012417684 287442526 /nfs/dbraw/zinc/44/25/26/287442526.db2.gz QLQKJJZUBUINHI-PHIMTYICSA-N 0 0 330.340 3.104 50 5 EGBARN CC1(C)C=Cc2cc3c(=O)c4c(O)cc(O)cc4oc3c(O)c2O1 ZINC000015217369 275808061 /nfs/dbraw/zinc/80/80/61/275808061.db2.gz WBKWHYDUDXOZIU-UHFFFAOYSA-N 0 0 326.304 3.247 50 5 endogenous,in-man EGBARN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000316335 452562436 /nfs/dbraw/zinc/56/24/36/452562436.db2.gz MFBVKWDYJAMDII-UHFFFAOYSA-N 0 0 336.731 3.274 50 5 EGBARN O=C1NC(=S)NC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000000365558 452572755 /nfs/dbraw/zinc/57/27/55/452572755.db2.gz LUPBKJIGOOWKBG-IZZDOVSWSA-N 0 0 349.755 3.265 50 5 EGBARN CC(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000456001 452596742 /nfs/dbraw/zinc/59/67/42/452596742.db2.gz CVIRTUJAHBLKQK-UHFFFAOYSA-N 0 0 347.758 3.483 50 5 EGBARN CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000000456870 452596923 /nfs/dbraw/zinc/59/69/23/452596923.db2.gz CDVYXKUUVMUUNM-UHFFFAOYSA-N 0 0 327.340 3.138 50 5 EGBARN Cc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000000463945 452598434 /nfs/dbraw/zinc/59/84/34/452598434.db2.gz FITBRYIZBWKEDK-UHFFFAOYSA-N 0 0 343.358 3.005 50 5 EGBARN COc1ccc(OC)c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000000463261 452598956 /nfs/dbraw/zinc/59/89/56/452598956.db2.gz QJPIMSHLEGOINR-JXMROGBWSA-N 0 0 328.324 3.264 50 5 EGBARN CC(=O)Nc1ccccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000471237 452602557 /nfs/dbraw/zinc/60/25/57/452602557.db2.gz TUTRMPWWEVLVNI-NSHDSACASA-N 0 0 327.340 3.295 50 5 EGBARN CCOc1nc(C)ccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000000498717 452608475 /nfs/dbraw/zinc/60/84/75/452608475.db2.gz AHBLDLUNBKBJEY-UHFFFAOYSA-N 0 0 326.312 3.414 50 5 EGBARN Cc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C)cc1 ZINC000001055510 452643500 /nfs/dbraw/zinc/64/35/00/452643500.db2.gz ABYRWNCLHKMPAB-OAHLLOKOSA-N 0 0 339.395 3.254 50 5 EGBARN C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)n1cc([N+](=O)[O-])cn1 ZINC000001422068 452663487 /nfs/dbraw/zinc/66/34/87/452663487.db2.gz KNCNJRHULKBYPV-ZETCQYMHSA-N 0 0 329.143 3.298 50 5 EGBARN Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000001922392 452681299 /nfs/dbraw/zinc/68/12/99/452681299.db2.gz QMDYVXAUGQCKNS-ZDUSSCGKSA-N 0 0 342.351 3.396 50 5 EGBARN O=C(NC1CCCC1)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000002763740 452721153 /nfs/dbraw/zinc/72/11/53/452721153.db2.gz DYHGGPJWYDBUGA-UHFFFAOYSA-N 0 0 330.340 3.439 50 5 EGBARN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000002877665 452732358 /nfs/dbraw/zinc/73/23/58/452732358.db2.gz WMTZMCCITZQXPR-UHFFFAOYSA-N 0 0 340.788 3.499 50 5 EGBARN Cc1ccc(NC(=O)n2ncc3ccc([N+](=O)[O-])cc32)cc1[N+](=O)[O-] ZINC000003091317 452742819 /nfs/dbraw/zinc/74/28/19/452742819.db2.gz KPPUJVPIDQLLFC-UHFFFAOYSA-N 0 0 341.283 3.241 50 5 EGBARN Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1NC(=O)c1cccs1 ZINC000003904526 452788208 /nfs/dbraw/zinc/78/82/08/452788208.db2.gz JKGQVIHVFFYPAH-UHFFFAOYSA-N 0 0 347.396 3.054 50 5 EGBARN Nc1nc(Nc2ccc(Cl)cc2)nc(N2CCCCC2)c1[N+](=O)[O-] ZINC000004305975 452799894 /nfs/dbraw/zinc/79/98/94/452799894.db2.gz QZYODFLGJMECCX-UHFFFAOYSA-N 0 0 348.794 3.354 50 5 EGBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000004561475 452809433 /nfs/dbraw/zinc/80/94/33/452809433.db2.gz DFBIXTLQMXLTCN-UHFFFAOYSA-N 0 0 341.348 3.468 50 5 EGBARN CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004746795 452816645 /nfs/dbraw/zinc/81/66/45/452816645.db2.gz RRCOOZKKFDTVMV-UHFFFAOYSA-N 0 0 339.395 3.120 50 5 EGBARN CCn1c2ccccc2c(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1=O ZINC000004833956 452819283 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Cc1c(C(=O)NC(C)C)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000004931068 210327240 /nfs/dbraw/zinc/32/72/40/210327240.db2.gz PPPMPNREENWQKE-UHFFFAOYSA-N 0 0 344.396 3.418 50 5 EGBARN COc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004831866 210290594 /nfs/dbraw/zinc/29/05/94/210290594.db2.gz VUPDGHCHSCMHCC-UHFFFAOYSA-N 0 0 336.731 3.274 50 5 EGBARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc([N+](=O)[O-])cn1 ZINC000004810604 210283676 /nfs/dbraw/zinc/28/36/76/210283676.db2.gz QDYPBMGXRMEERX-ZETCQYMHSA-N 0 0 329.143 3.298 50 5 EGBARN CCCc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000017118430 258056724 /nfs/dbraw/zinc/05/67/24/258056724.db2.gz YYLWCKSVZDAZSS-UHFFFAOYSA-N 0 0 336.329 3.102 50 5 EGBARN CCn1c2ccccc2c(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1=O ZINC000004833955 135666962 /nfs/dbraw/zinc/66/69/62/135666962.db2.gz TTWJPKKPNLJBOD-STQMWFEESA-N 0 0 329.400 3.412 50 5 EGBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2Cl)CC1 ZINC000017119113 135711694 /nfs/dbraw/zinc/71/16/94/135711694.db2.gz YTVIRIXIDNXHGH-UHFFFAOYSA-N 0 0 345.786 3.211 50 5 EGBARN O=c1oc2ccccc2cc1-c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000175815 275044452 /nfs/dbraw/zinc/04/44/52/275044452.db2.gz HUZIGFPJWRJGLC-UHFFFAOYSA-N 0 0 335.275 3.418 50 5 EGBARN CCCC(=O)N(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004800281 276222885 /nfs/dbraw/zinc/22/28/85/276222885.db2.gz QKDMJNFXSJKTFH-UHFFFAOYSA-N 0 0 335.238 3.285 50 5 EGBARN O=[N+]([O-])c1cccc([C@H]2C[C@H](c3ccccc3F)n3ncnc3N2)c1 ZINC000000222040 452541572 /nfs/dbraw/zinc/54/15/72/452541572.db2.gz YNPHFUJPZKHAMK-HZPDHXFCSA-N 0 0 339.330 3.472 50 5 EGBARN CCOc1cc(C=O)ccc1OC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000000310628 452561267 /nfs/dbraw/zinc/56/12/67/452561267.db2.gz COMATTVNWUTWMB-UHFFFAOYSA-N 0 0 329.308 3.334 50 5 EGBARN COc1cc(C(=O)Nc2cc(C)ccc2C)c([N+](=O)[O-])cc1OC ZINC000000445083 452593568 /nfs/dbraw/zinc/59/35/68/452593568.db2.gz COFSLGCUQGZDSX-UHFFFAOYSA-N 0 0 330.340 3.481 50 5 EGBARN Cc1ccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000000456037 452597043 /nfs/dbraw/zinc/59/70/43/452597043.db2.gz JJPGDIFEKFTRPP-JXMROGBWSA-N 0 0 341.392 3.430 50 5 EGBARN Cc1cc(C)cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000000456780 452597112 /nfs/dbraw/zinc/59/71/12/452597112.db2.gz HSWKKHTVTVDHEM-UHFFFAOYSA-N 0 0 329.381 3.338 50 5 EGBARN Cc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000000578805 452627492 /nfs/dbraw/zinc/62/74/92/452627492.db2.gz GLTVOQWUPPTWFQ-UHFFFAOYSA-N 0 0 337.335 3.309 50 5 EGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCO2 ZINC000001152882 452647146 /nfs/dbraw/zinc/64/71/46/452647146.db2.gz KKCPBVOFSOCOPG-QPJJXVBHSA-N 0 0 326.308 3.018 50 5 EGBARN COc1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000001152704 452647213 /nfs/dbraw/zinc/64/72/13/452647213.db2.gz NIQJLYBKLBJZQO-UHFFFAOYSA-N 0 0 332.381 3.475 50 5 EGBARN O=c1c([N+](=O)[O-])cc(C(F)(F)F)cn1Cc1ccc(Cl)cc1 ZINC000001391179 452658378 /nfs/dbraw/zinc/65/83/78/452658378.db2.gz GPMBJUSYJHZWSR-UHFFFAOYSA-N 0 0 332.665 3.477 50 5 EGBARN Cc1nn(CCCC(=O)Nc2cc(C)ccc2C)c(C)c1[N+](=O)[O-] ZINC000001429841 452663235 /nfs/dbraw/zinc/66/32/35/452663235.db2.gz VWZFGESYQWKLKI-UHFFFAOYSA-N 0 0 330.388 3.444 50 5 EGBARN COCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 ZINC000001878474 452680947 /nfs/dbraw/zinc/68/09/47/452680947.db2.gz BYNGTSBSJYWUTN-UHFFFAOYSA-N 0 0 349.350 3.201 50 5 EGBARN O=C(CSc1nc2ccccc2c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000005314076 452857188 /nfs/dbraw/zinc/85/71/88/452857188.db2.gz GXRDJTNMQCYMKL-UHFFFAOYSA-N 0 0 341.348 3.219 50 5 EGBARN O=C(NCCc1cccc(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000006331079 452935819 /nfs/dbraw/zinc/93/58/19/452935819.db2.gz UXIAERNWLARJEF-UHFFFAOYSA-N 0 0 349.730 3.129 50 5 EGBARN O=C(COc1ccc2c(c1)oc(=O)c1ccccc21)Nc1cccnc1 ZINC000006662391 452964214 /nfs/dbraw/zinc/96/42/14/452964214.db2.gz WLESFEKUHWJFQE-UHFFFAOYSA-N 0 0 346.342 3.359 50 5 EGBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC[C@H](C)C3)n2)cc1 ZINC000009360644 453251795 /nfs/dbraw/zinc/25/17/95/453251795.db2.gz KEUSFIFXHBYISI-LBPRGKRZSA-N 0 0 342.403 3.255 50 5 EGBARN COc1cc2c(cc1OC)CN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000019536502 453657449 /nfs/dbraw/zinc/65/74/49/453657449.db2.gz CYXREMTVVUDHAM-UHFFFAOYSA-N 0 0 328.368 3.170 50 5 EGBARN O=c1[nH]c(=S)[nH]c2nc3c4ccccc4c4ccccc4c3nc12 ZINC000039268182 453943186 /nfs/dbraw/zinc/94/31/86/453943186.db2.gz MRLDGQXEPZQWPA-UHFFFAOYSA-N 0 0 330.372 3.461 50 5 EGBARN COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3C(=O)N2C2CC2)cc1 ZINC000096344973 454319746 /nfs/dbraw/zinc/31/97/46/454319746.db2.gz ICPQGHLFSQPEKV-QGZVFWFLSA-N 0 0 339.351 3.332 50 5 EGBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(Br)c1 ZINC000004141604 210131033 /nfs/dbraw/zinc/13/10/33/210131033.db2.gz QAWKVTTUAALKTK-UHFFFAOYSA-N 0 0 328.147 3.066 50 5 EGBARN CCOc1ccc(Nc2cc(N(C)C)c3nonc3c2[N+](=O)[O-])cc1 ZINC000003904302 210089411 /nfs/dbraw/zinc/08/94/11/210089411.db2.gz WHSQQTBIESGHDQ-UHFFFAOYSA-N 0 0 343.343 3.339 50 5 EGBARN Cc1nc(NC[C@H]2CCCO2)nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000038488505 213210453 /nfs/dbraw/zinc/21/04/53/213210453.db2.gz BMMOGHHHEYEAFE-CYBMUJFWSA-N 0 0 335.408 3.029 50 5 EGBARN COC(=O)c1sccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000376413 209558783 /nfs/dbraw/zinc/55/87/83/209558783.db2.gz RGTJVYNRLTUYIY-UHFFFAOYSA-N 0 0 340.744 3.349 50 5 EGBARN CCOC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000000063878 209396895 /nfs/dbraw/zinc/39/68/95/209396895.db2.gz AODOOLJCMISLHL-IZZDOVSWSA-N 0 0 340.335 3.423 50 5 EGBARN Cc1cccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)c1 ZINC000019959359 212090920 /nfs/dbraw/zinc/09/09/20/212090920.db2.gz WPJJFNRNLKNINW-UHFFFAOYSA-N 0 0 326.359 3.495 50 5 EGBARN Cc1cccc(Nc2nc(N3CCCCCC3)nc(N)c2[N+](=O)[O-])c1 ZINC000005069740 210383639 /nfs/dbraw/zinc/38/36/39/210383639.db2.gz VDFIOYNPYKISTO-UHFFFAOYSA-N 0 0 342.403 3.399 50 5 EGBARN O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000004889172 210313264 /nfs/dbraw/zinc/31/32/64/210313264.db2.gz YTMVVXSAUUYUCC-JXMROGBWSA-N 0 0 345.355 3.260 50 5 EGBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl ZINC000004828561 210290647 /nfs/dbraw/zinc/29/06/47/210290647.db2.gz GIISSAJFEIKCKG-UHFFFAOYSA-N 0 0 330.724 3.188 50 5 EGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000004313549 135663539 /nfs/dbraw/zinc/66/35/39/135663539.db2.gz PWYQSGWPJOKOQM-UHFFFAOYSA-N 0 0 344.346 3.088 50 5 EGBARN CC(C)c1ccc(C=Cc2[nH]c3ncnn3c(=O)c2[N+](=O)[O-])cc1 ZINC000008843033 273561427 /nfs/dbraw/zinc/56/14/27/273561427.db2.gz AQMGGAPQASORGK-VMPITWQZSA-N 0 0 325.328 3.032 50 5 EGBARN O=C1C[C@H](c2ccc3c(c2)OCCCO3)Oc2ccc([N+](=O)[O-])cc21 ZINC000000138854 275020971 /nfs/dbraw/zinc/02/09/71/275020971.db2.gz LEIOTTRFMICXPR-QGZVFWFLSA-N 0 0 341.319 3.463 50 5 biogenic EGBARN CC(C)Cc1nc2oc3c(ncn4c(=S)[nH]nc34)c2c2c1CCC2 ZINC000009109138 277513456 /nfs/dbraw/zinc/51/34/56/277513456.db2.gz ZNDJMUVQLWOVPC-UHFFFAOYSA-N 0 0 339.424 3.395 50 5 EGBARN C[C@H](c1ccccc1)n1cnc2c(cnc3nc4ccccc4n32)c1=O ZINC000005020354 278312155 /nfs/dbraw/zinc/31/21/55/278312155.db2.gz HMYFPZUPYSLCFG-CYBMUJFWSA-N 0 0 341.374 3.202 50 5 EGBARN O=[N+]([O-])c1cc2c(cc1[C@H]1NN=C(c3ccccc3)S1)OCO2 ZINC000000261952 280361377 /nfs/dbraw/zinc/36/13/77/280361377.db2.gz ZQYIWBWWQXVYMK-HNNXBMFYSA-N 0 0 329.337 3.020 50 5 EGBARN Cc1nn(CCCC(=O)Nc2ccc(C)c(C)c2)c(C)c1[N+](=O)[O-] ZINC000000215105 452539938 /nfs/dbraw/zinc/53/99/38/452539938.db2.gz GSUQGHCXWLKRCU-UHFFFAOYSA-N 0 0 330.388 3.444 50 5 EGBARN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000300611 452556038 /nfs/dbraw/zinc/55/60/38/452556038.db2.gz NFGKUIGBELYRAI-UHFFFAOYSA-N 0 0 342.760 3.058 50 5 EGBARN CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000000293839 452557442 /nfs/dbraw/zinc/55/74/42/452557442.db2.gz ORTNIKWTAGWSGS-UHFFFAOYSA-N 0 0 346.339 3.263 50 5 EGBARN CC(C)C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000314545 452562451 /nfs/dbraw/zinc/56/24/51/452562451.db2.gz JREUGPZMFXIQLC-UHFFFAOYSA-N 0 0 327.340 3.442 50 5 EGBARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000505842 452609887 /nfs/dbraw/zinc/60/98/87/452609887.db2.gz BWQHOXMHKHBFDN-LBPRGKRZSA-N 0 0 341.367 3.375 50 5 EGBARN CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000000619015 452633260 /nfs/dbraw/zinc/63/32/60/452633260.db2.gz BMPGJMDEOYVZRS-UHFFFAOYSA-N 0 0 336.351 3.149 50 5 EGBARN O=C(NCc1ccccn1)c1cc2c(ccc3ccccc32)oc1=O ZINC000001424324 452664161 /nfs/dbraw/zinc/66/41/61/452664161.db2.gz BSGGTKMKLOVHBM-UHFFFAOYSA-N 0 0 330.343 3.271 50 5 EGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000001753516 452676742 /nfs/dbraw/zinc/67/67/42/452676742.db2.gz AFUZIVOJKLYSKW-UHFFFAOYSA-N 0 0 338.226 3.425 50 5 EGBARN CCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1 ZINC000002218377 452690234 /nfs/dbraw/zinc/69/02/34/452690234.db2.gz FKKNGZUXZSERDS-UHFFFAOYSA-N 0 0 332.359 3.114 50 5 EGBARN CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1-c1ccccc1 ZINC000002341192 452693583 /nfs/dbraw/zinc/69/35/83/452693583.db2.gz XSDNBILUQNKMFB-UHFFFAOYSA-N 0 0 348.358 3.063 50 5 EGBARN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)ccc1Cl ZINC000002760401 452721070 /nfs/dbraw/zinc/72/10/70/452721070.db2.gz FTVBAMFAMYNFFW-UHFFFAOYSA-N 0 0 329.143 3.127 50 5 EGBARN CSc1nsc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000002870489 452732431 /nfs/dbraw/zinc/73/24/31/452732431.db2.gz NZEOPQKCYVRGBE-UHFFFAOYSA-N 0 0 327.412 3.143 50 5 EGBARN CCN(CC)C(=O)c1cc2c(=O)c3cc(F)ccc3oc2nc1C ZINC000003016374 452739553 /nfs/dbraw/zinc/73/95/53/452739553.db2.gz AJVXJNLZOGQRQN-UHFFFAOYSA-N 0 0 328.343 3.271 50 5 EGBARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccc([N+](=O)[O-])o1 ZINC000003165753 452746904 /nfs/dbraw/zinc/74/69/04/452746904.db2.gz AEEGWCAEVFYZNJ-UHFFFAOYSA-N 0 0 325.252 3.328 50 5 EGBARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012944897 453428783 /nfs/dbraw/zinc/42/87/83/453428783.db2.gz QMHWQYACMHYRDW-UHFFFAOYSA-N 0 0 340.788 3.069 50 5 EGBARN Cc1c([N+](=O)[O-])cc(C(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] ZINC000017068532 453628239 /nfs/dbraw/zinc/62/82/39/453628239.db2.gz XKDDNBZOPPAOJO-UHFFFAOYSA-N 0 0 333.344 3.432 50 5 EGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)OC12CCCCC2 ZINC000004580158 210226469 /nfs/dbraw/zinc/22/64/69/210226469.db2.gz XDFQTPMFPGDBGI-ZDUSSCGKSA-N 0 0 332.356 3.108 50 5 EGBARN Cn1c2c(cccc2F)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000100909189 219111320 /nfs/dbraw/zinc/11/13/20/219111320.db2.gz MRVOMSBUSFBECS-ICFOKQHNSA-N 0 0 331.328 3.028 50 5 EGBARN CC1(C)C[C@H](Nc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)N1O ZINC000003861719 210080664 /nfs/dbraw/zinc/08/06/64/210080664.db2.gz DGKVCGWEHRKMEB-LBPRGKRZSA-N 0 0 342.327 3.075 50 5 in-vitro EGBARN COC[C@H](C)Nc1nc(C)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1 ZINC000036708777 213111953 /nfs/dbraw/zinc/11/19/53/213111953.db2.gz VQKDYZLDFLATRH-VIFPVBQESA-N 0 0 335.339 3.023 50 5 EGBARN Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)NC(C)C)c12 ZINC000036618341 213103684 /nfs/dbraw/zinc/10/36/84/213103684.db2.gz MQJVRBXWQYJICO-UHFFFAOYSA-N 0 0 340.339 3.245 50 5 EGBARN CCN(CC)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000036612214 213101689 /nfs/dbraw/zinc/10/16/89/213101689.db2.gz YRDASXPJPCWOOV-UHFFFAOYSA-N 0 0 339.351 3.242 50 5 EGBARN O=C1Nc2ccccc2C1=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1 ZINC000215765810 241144693 /nfs/dbraw/zinc/14/46/93/241144693.db2.gz FSVWEODHCSFQAO-DGGAMASNSA-N 0 0 332.319 3.035 50 5 EGBARN COc1cccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000013301025 211542148 /nfs/dbraw/zinc/54/21/48/211542148.db2.gz QJLURQJXYRJQPS-UHFFFAOYSA-N 0 0 329.337 3.465 50 5 EGBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N1CCc2ccccc2C1 ZINC000012421612 211376853 /nfs/dbraw/zinc/37/68/53/211376853.db2.gz VGBNPJCNOILOBD-UHFFFAOYSA-N 0 0 343.408 3.359 50 5 EGBARN CC(C)c1ccc(C=Cc2[nH]c3nncn3c(=O)c2[N+](=O)[O-])cc1 ZINC000008843017 211009261 /nfs/dbraw/zinc/00/92/61/211009261.db2.gz TZWBHLBOAKNVQN-VMPITWQZSA-N 0 0 325.328 3.032 50 5 EGBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000000238807 285018216 /nfs/dbraw/zinc/01/82/16/285018216.db2.gz RMSGTUKKVBKRJB-UHFFFAOYSA-N 0 0 336.225 3.414 50 5 EGBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000005123749 210395267 /nfs/dbraw/zinc/39/52/67/210395267.db2.gz JXJOEQKIMUWOMW-UHFFFAOYSA-N 0 0 335.772 3.375 50 5 EGBARN O=Cc1ccc(Sc2n[nH]c(Cc3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000005050709 210375682 /nfs/dbraw/zinc/37/56/82/210375682.db2.gz IWDWFVMCCMYDLP-UHFFFAOYSA-N 0 0 340.364 3.267 50 5 EGBARN O=[N+]([O-])c1cc(Nc2ccc3nonc3c2[N+](=O)[O-])ccc1Cl ZINC000004974098 210345414 /nfs/dbraw/zinc/34/54/14/210345414.db2.gz PQZKMXPISWCLCU-UHFFFAOYSA-N 0 0 335.663 3.436 50 5 EGBARN COc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)c([N+](=O)[O-])c1 ZINC000004832933 210292584 /nfs/dbraw/zinc/29/25/84/210292584.db2.gz BOAFFGZQURTVQR-LBPRGKRZSA-N 0 0 330.340 3.318 50 5 EGBARN CCOc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000055543572 132195510 /nfs/dbraw/zinc/19/55/10/132195510.db2.gz VAPKGELVWIGQIE-UHFFFAOYSA-N 0 0 341.411 3.316 50 5 EGBARN CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000073870259 275519964 /nfs/dbraw/zinc/51/99/64/275519964.db2.gz OJIDLANQYRRUCV-UHFFFAOYSA-N 0 0 341.795 3.305 50 5 EGBARN CC1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)nc2sccn23)CC1 ZINC000004709607 275942039 /nfs/dbraw/zinc/94/20/39/275942039.db2.gz GQKJXEOVSHFBFU-UHFFFAOYSA-N 0 0 344.396 3.054 50 5 EGBARN C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(NC3CCCCC3)n2)C1 ZINC000005025220 279988278 /nfs/dbraw/zinc/98/82/78/279988278.db2.gz MRCZPRWUCWVCJP-RYUDHWBXSA-N 0 0 348.451 3.194 50 5 EGBARN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000331118 452564616 /nfs/dbraw/zinc/56/46/16/452564616.db2.gz KUYGEDKIDWOEBC-UHFFFAOYSA-N 0 0 335.772 3.375 50 5 EGBARN Cc1c(C(=O)Nc2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000000436593 452591467 /nfs/dbraw/zinc/59/14/67/452591467.db2.gz RRFWNNQBWUPVQX-UHFFFAOYSA-N 0 0 336.145 3.313 50 5 EGBARN CC(=O)N(C)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000456891 452597557 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O=C(Nc1ccc(F)c([N+](=O)[O-])c1)n1ncc2ccc([N+](=O)[O-])cc21 ZINC000002167225 452687345 /nfs/dbraw/zinc/68/73/45/452687345.db2.gz HDWLSHXJXOAXJU-UHFFFAOYSA-N 0 0 345.246 3.072 50 5 EGBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CCCCCC1 ZINC000002512880 452702526 /nfs/dbraw/zinc/70/25/26/452702526.db2.gz XJJCIOFYQVZWAG-UHFFFAOYSA-N 0 0 332.809 3.249 50 5 EGBARN COc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000002648361 452713280 /nfs/dbraw/zinc/71/32/80/452713280.db2.gz JJHHUWUWAXIYDT-NSHDSACASA-N 0 0 330.340 3.354 50 5 EGBARN Cc1nnc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000002707001 452716675 /nfs/dbraw/zinc/71/66/75/452716675.db2.gz WWVRQYYILVYPRU-UHFFFAOYSA-N 0 0 330.325 3.267 50 5 EGBARN O=C(NCCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002738722 452719181 /nfs/dbraw/zinc/71/91/81/452719181.db2.gz AMDXFAZYFVJBMM-UHFFFAOYSA-N 0 0 349.730 3.129 50 5 EGBARN COc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000002824331 452728213 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O=C(c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000004998474 210354616 /nfs/dbraw/zinc/35/46/16/210354616.db2.gz ZTNMDPUZLXYXHO-UHFFFAOYSA-N 0 0 340.383 3.228 50 5 EGBARN N=C1C(=S)N(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000004795907 210280703 /nfs/dbraw/zinc/28/07/03/210280703.db2.gz PHMQLWZWLUAKGM-UHFFFAOYSA-N 0 0 326.337 3.346 50 5 EGBARN COC(=O)c1ccccc1N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000004799325 210280368 /nfs/dbraw/zinc/28/03/68/210280368.db2.gz VNQJEMBSZZQFRY-UHFFFAOYSA-N 0 0 343.339 3.358 50 5 EGBARN CCCCC[C@@H]1C[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004764817 210273329 /nfs/dbraw/zinc/27/33/29/210273329.db2.gz HXOWVUPIWNLELW-IUODEOHRSA-N 0 0 334.372 3.435 50 5 EGBARN COC(=O)c1ccc(Cn2cc(/C=C\[N+](=O)[O-])c3ccccc32)o1 ZINC000004757582 210272172 /nfs/dbraw/zinc/27/21/72/210272172.db2.gz MFXOUOVUVYSRJD-HJWRWDBZSA-N 0 0 326.308 3.317 50 5 EGBARN O=[N+]([O-])c1ccc(N2CCN(Cc3c(F)cccc3F)CC2)cc1 ZINC000055142194 132194418 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O=C1C[C@@H](c2ccc3c(c2)OCCO3)Oc2ccc([N+](=O)[O-])cc21 ZINC000000304817 452559387 /nfs/dbraw/zinc/55/93/87/452559387.db2.gz QVPRYDGGOFAXDG-INIZCTEOSA-N 0 0 327.292 3.073 50 5 biogenic EGBARN Cc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1[N+](=O)[O-] ZINC000000427637 452589178 /nfs/dbraw/zinc/58/91/78/452589178.db2.gz FXQQQZMMFODNLH-NSHDSACASA-N 0 0 326.308 3.106 50 5 EGBARN COC(=O)c1cc(C(=O)Nc2ccc(C)c(C)c2)cc([N+](=O)[O-])c1 ZINC000000434360 452591489 /nfs/dbraw/zinc/59/14/89/452591489.db2.gz ZSHOBYQBAKDEHG-UHFFFAOYSA-N 0 0 328.324 3.251 50 5 EGBARN CC(=O)N(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000456181 452596574 /nfs/dbraw/zinc/59/65/74/452596574.db2.gz KDLNHKVNGFWRNA-UHFFFAOYSA-N 0 0 327.340 3.138 50 5 EGBARN COc1ccccc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000453459 452596724 /nfs/dbraw/zinc/59/67/24/452596724.db2.gz JFYKRDNZALELFG-UHFFFAOYSA-N 0 0 345.380 3.039 50 5 EGBARN Cc1cccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000454322 452597151 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/nfs/dbraw/zinc/60/39/54/452603954.db2.gz OVMXTSCGGORDEU-OAHLLOKOSA-N 0 0 330.340 3.400 50 5 EGBARN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000000859643 452636944 /nfs/dbraw/zinc/63/69/44/452636944.db2.gz FQFINRPDRFGBPJ-CYBMUJFWSA-N 0 0 328.368 3.355 50 5 EGBARN O=C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccccc1 ZINC000001795145 452679685 /nfs/dbraw/zinc/67/96/85/452679685.db2.gz IGYLVVLBXZTBGW-UHFFFAOYSA-N 0 0 348.336 3.339 50 5 EGBARN O=[N+]([O-])c1cccc(CN2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000002824672 452727440 /nfs/dbraw/zinc/72/74/40/452727440.db2.gz QPMYPNMJFXLAFX-UHFFFAOYSA-N 0 0 329.375 3.052 50 5 EGBARN CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005063237 452834321 /nfs/dbraw/zinc/83/43/21/452834321.db2.gz GYLJBPRDDUASFK-KRWDZBQOSA-N 0 0 327.315 3.432 50 5 EGBARN O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000005441236 452873909 /nfs/dbraw/zinc/87/39/09/452873909.db2.gz KZUNHAZBPGZDHN-UHFFFAOYSA-N 0 0 339.351 3.364 50 5 EGBARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=O)NC2=O)o1 ZINC000016662415 453618091 /nfs/dbraw/zinc/61/80/91/453618091.db2.gz DEPOGRXMFXMBSG-NTUHNPAUSA-N 0 0 330.321 3.487 50 5 EGBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000044126515 454089655 /nfs/dbraw/zinc/08/96/55/454089655.db2.gz UALUMNKWFROEDF-BETUJISGSA-N 0 0 335.404 3.429 50 5 EGBARN CC[C@H]1Oc2ccc([N+](=O)[O-])cc2N(Cc2ccccc2F)C1=O ZINC000061997490 454365409 /nfs/dbraw/zinc/36/54/09/454365409.db2.gz YKWKHVJTMINWDU-OAHLLOKOSA-N 0 0 330.315 3.438 50 5 EGBARN Cc1c2oc3c(nc4n[nH]cc4c3-c3ccc[nH]c3=O)c2ccc1O ZINC000218148922 456034707 /nfs/dbraw/zinc/03/47/07/456034707.db2.gz INHSYHGLULXYGJ-UHFFFAOYSA-N 0 0 332.319 3.227 50 5 EGBARN O=C(CSc1nc2ccccc2o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004713645 210255799 /nfs/dbraw/zinc/25/57/99/210255799.db2.gz UBOJMQHJTDXGLJ-UHFFFAOYSA-N 0 0 329.337 3.467 50 5 EGBARN O=C(CSc1ccc([N+](=O)[O-])cn1)NC12CC3CC(CC(C3)C1)C2 ZINC000004385347 210184335 /nfs/dbraw/zinc/18/43/35/210184335.db2.gz JOAVHHINPSNFSC-UHFFFAOYSA-N 0 0 347.440 3.167 50 5 EGBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccccc1C ZINC000004313532 210167592 /nfs/dbraw/zinc/16/75/92/210167592.db2.gz QPOBBQXUBWYDDZ-UHFFFAOYSA-N 0 0 345.380 3.039 50 5 EGBARN O=[N+]([O-])c1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1 ZINC000004181576 210141201 /nfs/dbraw/zinc/14/12/01/210141201.db2.gz KJGFDRAARZAFLU-UHFFFAOYSA-N 0 0 346.734 3.382 50 5 EGBARN O=C(Nc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000004063463 210111481 /nfs/dbraw/zinc/11/14/81/210111481.db2.gz UDSGLWSTVPGWLG-UHFFFAOYSA-N 0 0 332.366 3.427 50 5 EGBARN CCc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000004056345 210109032 /nfs/dbraw/zinc/10/90/32/210109032.db2.gz OXXTWLGOOAOOTN-UHFFFAOYSA-N 0 0 330.340 3.183 50 5 EGBARN COc1ccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000004039216 210106131 /nfs/dbraw/zinc/10/61/31/210106131.db2.gz LYZWCSLWZAGDKB-LLVKDONJSA-N 0 0 346.339 3.018 50 5 EGBARN C[C@H]1C[C@H](C)CN(c2nc(NC3CCCCC3)nc(N)c2[N+](=O)[O-])C1 ZINC000006571965 291117113 /nfs/dbraw/zinc/11/71/13/291117113.db2.gz BVMBXEUEWVJTIW-RYUDHWBXSA-N 0 0 348.451 3.194 50 5 EGBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000000371535 209556127 /nfs/dbraw/zinc/55/61/27/209556127.db2.gz HLKQLRFCKCXNEG-UHFFFAOYSA-N 0 0 334.715 3.272 50 5 EGBARN O=C1C[C@@H](c2ccccc2)c2c(n[nH]c2-c2cccc([N+](=O)[O-])c2)O1 ZINC000004626282 296345144 /nfs/dbraw/zinc/34/51/44/296345144.db2.gz LCRWOYPECSHXON-AWEZNQCLSA-N 0 0 335.319 3.426 50 5 EGBARN COc1ccc(CNC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000005670927 210513000 /nfs/dbraw/zinc/51/30/00/210513000.db2.gz NBRDGAGPSBQYDA-UHFFFAOYSA-N 0 0 346.339 3.038 50 5 EGBARN O=[N+]([O-])c1cc(I)ccc1OC(F)(F)F ZINC000238535390 285096882 /nfs/dbraw/zinc/09/68/82/285096882.db2.gz STDDPLMLBMXHJV-UHFFFAOYSA-N 0 0 333.003 3.098 50 5 EGBARN Cc1cc(Nc2ccc(F)c(Cl)c2)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000004942013 210332713 /nfs/dbraw/zinc/33/27/13/210332713.db2.gz MTKONOMYLIZDBX-UHFFFAOYSA-N 0 0 348.725 3.415 50 5 EGBARN COc1ccc2[nH]cc(CCNC(=O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000004814480 210285238 /nfs/dbraw/zinc/28/52/38/210285238.db2.gz AMOBDDGAKLDARQ-UHFFFAOYSA-N 0 0 339.351 3.057 50 5 EGBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCC2)cc1 ZINC000004758592 210272186 /nfs/dbraw/zinc/27/21/86/210272186.db2.gz RXVMVGCFSPVCFD-UHFFFAOYSA-N 0 0 341.367 3.213 50 5 EGBARN C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)C1 ZINC000004306347 135663583 /nfs/dbraw/zinc/66/35/83/135663583.db2.gz BOLDQOBVMZKWJH-JTQLQIEISA-N 0 0 346.366 3.086 50 5 EGBARN O=c1cc(-c2ccc3c(c2)OCCO3)oc2ccc([N+](=O)[O-])cc12 ZINC000000049572 275043347 /nfs/dbraw/zinc/04/33/47/275043347.db2.gz YMCYJIJWKFYPMN-UHFFFAOYSA-N 0 0 325.276 3.139 50 5 biogenic EGBARN COc1ccc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2c1 ZINC000004831769 277450494 /nfs/dbraw/zinc/45/04/94/277450494.db2.gz UTYKBKRHDNFGQJ-UHFFFAOYSA-N 0 0 342.263 3.285 50 5 EGBARN Cc1ccc2nc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)sc2c1 ZINC000002815029 281157221 /nfs/dbraw/zinc/15/72/21/281157221.db2.gz BRLPQOUQRNJFFK-UHFFFAOYSA-N 0 0 339.332 3.314 50 5 EGBARN COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OC ZINC000000080641 452502835 /nfs/dbraw/zinc/50/28/35/452502835.db2.gz MEDPRPFPSBTZCE-UHFFFAOYSA-N 0 0 327.296 3.329 50 5 EGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21 ZINC000000105848 452508265 /nfs/dbraw/zinc/50/82/65/452508265.db2.gz VKXFOEQGQLHBBD-UHFFFAOYSA-N 0 0 345.380 3.107 50 5 EGBARN O=C(NCCc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000118386 452513138 /nfs/dbraw/zinc/51/31/38/452513138.db2.gz FNWBZROLRJCRJV-UHFFFAOYSA-N 0 0 344.758 3.097 50 5 EGBARN Cc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(O)c1 ZINC000000456488 452597354 /nfs/dbraw/zinc/59/73/54/452597354.db2.gz JSOAXRGPXRRGIL-UHFFFAOYSA-N 0 0 345.380 3.044 50 5 EGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccccc1F ZINC000000456989 452598589 /nfs/dbraw/zinc/59/85/89/452598589.db2.gz WLYBBHBARYBZNU-CMDGGOBGSA-N 0 0 345.355 3.260 50 5 EGBARN CC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000467187 452600495 /nfs/dbraw/zinc/60/04/95/452600495.db2.gz DZSJCOURLRNZOC-UHFFFAOYSA-N 0 0 333.731 3.459 50 5 EGBARN Cc1cccc(C(=O)Nc2nnc(C(F)(F)F)s2)c1[N+](=O)[O-] ZINC000000464671 452600706 /nfs/dbraw/zinc/60/07/06/452600706.db2.gz KAWSFTPDAAKOMJ-UHFFFAOYSA-N 0 0 332.263 3.026 50 5 EGBARN CCOc1ccc(-c2nc(N)c3c(n2)c2ccccc2oc3=O)cc1 ZINC000000554441 452621157 /nfs/dbraw/zinc/62/11/57/452621157.db2.gz CQINGXSHOCRDIP-UHFFFAOYSA-N 0 0 333.347 3.384 50 5 EGBARN COc1ccc(OC)c([C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000611395 452630001 /nfs/dbraw/zinc/63/00/01/452630001.db2.gz WYOZTZPYKAELPV-NSHDSACASA-N 0 0 345.355 3.495 50 5 EGBARN CS(=O)(=O)c1ccc(Sc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000000619424 452633652 /nfs/dbraw/zinc/63/36/52/452633652.db2.gz SWXNMDSDDMMRFR-UHFFFAOYSA-N 0 0 349.393 3.026 50 5 EGBARN O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003879937 452788630 /nfs/dbraw/zinc/78/86/30/452788630.db2.gz URWGNEAKODZOAA-UHFFFAOYSA-N 0 0 345.786 3.211 50 5 EGBARN Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1C ZINC000004701754 452815517 /nfs/dbraw/zinc/81/55/17/452815517.db2.gz OAZJZBPCGMLIKT-UHFFFAOYSA-N 0 0 340.379 3.279 50 5 EGBARN O=C(NC(=S)Nc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000006511822 452948755 /nfs/dbraw/zinc/94/87/55/452948755.db2.gz QTBNKLCTFZZPCZ-UHFFFAOYSA-N 0 0 335.772 3.375 50 5 EGBARN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008015098 453150188 /nfs/dbraw/zinc/15/01/88/453150188.db2.gz WSPPEGHIKVNYTF-UHFFFAOYSA-N 0 0 329.143 3.045 50 5 EGBARN CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008040563 453154070 /nfs/dbraw/zinc/15/40/70/453154070.db2.gz IOMYOVROIARVKB-AWEZNQCLSA-N 0 0 330.340 3.400 50 5 EGBARN Cc1ccc(-c2cnnc(Sc3ccc([N+](=O)[O-])cc3C=O)n2)o1 ZINC000013574219 453472351 /nfs/dbraw/zinc/47/23/51/453472351.db2.gz PZQIPVJXVJMESF-UHFFFAOYSA-N 0 0 342.336 3.312 50 5 EGBARN C[C@@H](NC(=O)c1ccc2nc3ccccc3c(=O)n2c1)c1ccccc1 ZINC000057477707 454132045 /nfs/dbraw/zinc/13/20/45/454132045.db2.gz PRWZFJSPJOEBCC-CQSZACIVSA-N 0 0 343.386 3.339 50 5 EGBARN Cc1cc(I)c([N+](=O)[O-])cc1Br ZINC000097447205 454437769 /nfs/dbraw/zinc/43/77/69/454437769.db2.gz CPKGPQZJLRSJNY-UHFFFAOYSA-N 0 0 341.930 3.270 50 5 EGBARN O=C(Cc1ccccc1[N+](=O)[O-])NCCSCc1ccccc1 ZINC000004682199 210245768 /nfs/dbraw/zinc/24/57/68/210245768.db2.gz HXPPQKSIENHJFA-UHFFFAOYSA-N 0 0 330.409 3.187 50 5 EGBARN CCN(CC)c1nc(N)c([N+](=O)[O-])c(Nc2cccc(Cl)c2)n1 ZINC000004306316 210164881 /nfs/dbraw/zinc/16/48/81/210164881.db2.gz DEIRHYNEIFVJCS-UHFFFAOYSA-N 0 0 336.783 3.210 50 5 EGBARN Cc1ccc(NC(=O)c2cncc(Br)c2)c([N+](=O)[O-])c1 ZINC000003898119 210087719 /nfs/dbraw/zinc/08/77/19/210087719.db2.gz GPXMTYYUFVKYDE-UHFFFAOYSA-N 0 0 336.145 3.313 50 5 EGBARN CC(C)(C)OC(=O)N1CC[C@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC000067800673 215215087 /nfs/dbraw/zinc/21/50/87/215215087.db2.gz MHOIEGRSORTDPW-JTQLQIEISA-N 0 0 326.324 3.122 50 5 EGBARN CC(=O)Nc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000001475798 209753910 /nfs/dbraw/zinc/75/39/10/209753910.db2.gz LGQJNYKYHNNQGY-UHFFFAOYSA-N 0 0 345.380 3.284 50 5 EGBARN COc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000471412 209622220 /nfs/dbraw/zinc/62/22/20/209622220.db2.gz ZVNPRUYAOZWBAX-NSHDSACASA-N 0 0 330.340 3.354 50 5 EGBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)cc1 ZINC000000316918 209533144 /nfs/dbraw/zinc/53/31/44/209533144.db2.gz HSKHKLXLFDFHLS-UHFFFAOYSA-N 0 0 341.367 3.213 50 5 EGBARN CC1CCC(NC(=O)c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072329368 216153564 /nfs/dbraw/zinc/15/35/64/216153564.db2.gz DWHYKUBYNUDEIR-UHFFFAOYSA-N 0 0 328.372 3.293 50 5 EGBARN Cc1ccccc1CNC(=O)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 ZINC000072329416 216154216 /nfs/dbraw/zinc/15/42/16/216154216.db2.gz STGKFLSSCZHPKE-UHFFFAOYSA-N 0 0 336.351 3.223 50 5 EGBARN CCOc1ccc(C(=O)Nc2cccc3nsnc32)cc1[N+](=O)[O-] ZINC000000104043 209422852 /nfs/dbraw/zinc/42/28/52/209422852.db2.gz NVBGDBKGGANZFC-UHFFFAOYSA-N 0 0 344.352 3.251 50 5 EGBARN COc1ccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)cc1 ZINC000022607787 212309999 /nfs/dbraw/zinc/30/99/99/212309999.db2.gz UGCXNXFGWALKFU-UHFFFAOYSA-N 0 0 342.358 3.195 50 5 EGBARN O=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccc(F)cc1 ZINC000022607785 212309611 /nfs/dbraw/zinc/30/96/11/212309611.db2.gz JRXCUECMPHFAEC-UHFFFAOYSA-N 0 0 330.322 3.326 50 5 EGBARN O=[N+]([O-])c1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019842146 212075712 /nfs/dbraw/zinc/07/57/12/212075712.db2.gz WKKYZXNLDOUGHY-UHFFFAOYSA-N 0 0 341.436 3.088 50 5 EGBARN O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc([N+](=O)[O-])cc1 ZINC000004348300 284423680 /nfs/dbraw/zinc/42/36/80/284423680.db2.gz GSVZELRGAZWWDH-UHFFFAOYSA-N 0 0 343.320 3.186 50 5 EGBARN Cc1c(C(=O)Nc2ccccc2[N+](=O)[O-])nnn1-c1ccc(C)cc1 ZINC000010271983 211159944 /nfs/dbraw/zinc/15/99/44/211159944.db2.gz JVCFRRQXEFMWQK-UHFFFAOYSA-N 0 0 337.339 3.045 50 5 EGBARN O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccco2)c1)c1ccco1 ZINC000004997414 210353590 /nfs/dbraw/zinc/35/35/90/210353590.db2.gz DXSUWHCPIITTCM-UHFFFAOYSA-N 0 0 341.279 3.285 50 5 EGBARN O=[N+]([O-])c1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1 ZINC000004857995 210303799 /nfs/dbraw/zinc/30/37/99/210303799.db2.gz YPKKSCVDGMHUMG-UHFFFAOYSA-N 0 0 337.364 3.352 50 5 EGBARN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000004863282 210304984 /nfs/dbraw/zinc/30/49/84/210304984.db2.gz LMSKADWWFBBOPJ-UHFFFAOYSA-N 0 0 346.286 3.414 50 5 EGBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc1Cl ZINC000004846197 210297046 /nfs/dbraw/zinc/29/70/46/210297046.db2.gz HYBMQJLJXLXMKQ-UHFFFAOYSA-N 0 0 349.774 3.213 50 5 EGBARN O=[N+]([O-])c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)o1 ZINC000004832325 210291147 /nfs/dbraw/zinc/29/11/47/210291147.db2.gz OHOVPCVDSXKJCD-QPJJXVBHSA-N 0 0 327.384 3.019 50 5 EGBARN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000004811206 210283982 /nfs/dbraw/zinc/28/39/82/210283982.db2.gz UEGBSPGPZBMSAJ-UHFFFAOYSA-N 0 0 329.356 3.068 50 5 EGBARN Cc1nn(C[C@@H](C)C(=O)Nc2cc(C)ccc2F)c(C)c1[N+](=O)[O-] ZINC000002796043 258050200 /nfs/dbraw/zinc/05/02/00/258050200.db2.gz NDQOHYSGGXEJDQ-SNVBAGLBSA-N 0 0 334.351 3.130 50 5 EGBARN Cc1[nH]c2nn(-c3ccccc3)c(=O)c-2c2c3ccccc3oc(=O)c12 ZINC000020085946 258057113 /nfs/dbraw/zinc/05/71/13/258057113.db2.gz GPMFDVOCJXVRLJ-UHFFFAOYSA-N 0 0 343.342 3.282 50 5 EGBARN CO[C@]1(c2ccc([N+](=O)[O-])cc2)C[C@H](C(Cl)(Cl)Cl)NO1 ZINC000000262630 286174599 /nfs/dbraw/zinc/17/45/99/286174599.db2.gz LTXHOJYGXHNJGE-NXEZZACHSA-N 0 0 341.578 3.058 50 5 EGBARN COc1c2oc3c(O)ccc(O)c3c(=O)c2cc2c1OC(C)(C)CC2 ZINC000096023753 286189621 /nfs/dbraw/zinc/18/96/21/286189621.db2.gz AWSPLWUUTQJIOF-UHFFFAOYSA-N 0 0 342.347 3.470 50 5 biogenic EGBARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c3nsnc3ccc2N1 ZINC000096224012 275019906 /nfs/dbraw/zinc/01/99/06/275019906.db2.gz POMUFNIZVMHSNI-JTQLQIEISA-N 0 0 326.337 3.074 50 5 EGBARN O=[N+]([O-])c1cc2c(cc1[C@@H]1NN=C(c3ccccc3)S1)OCO2 ZINC000000261947 275033916 /nfs/dbraw/zinc/03/39/16/275033916.db2.gz ZQYIWBWWQXVYMK-OAHLLOKOSA-N 0 0 329.337 3.020 50 5 EGBARN O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2sc3c(c21)CCCC3 ZINC000003186510 280297039 /nfs/dbraw/zinc/29/70/39/280297039.db2.gz DALUVHKCCRLXSQ-CQSZACIVSA-N 0 0 329.381 3.389 50 5 EGBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccccc1C(F)(F)F ZINC000003100119 304720880 /nfs/dbraw/zinc/72/08/80/304720880.db2.gz NVKPETYIGIJWKE-UHFFFAOYSA-N 0 0 336.225 3.414 50 5 EGBARN CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000231396 452543145 /nfs/dbraw/zinc/54/31/45/452543145.db2.gz HTPHBIPIZQGVGQ-UHFFFAOYSA-N 0 0 333.731 3.459 50 5 EGBARN O=C(Nc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000253604 452548222 /nfs/dbraw/zinc/54/82/22/452548222.db2.gz LPWIJIYJSZHKNQ-UHFFFAOYSA-N 0 0 334.715 3.272 50 5 EGBARN Cc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000000318885 452563892 /nfs/dbraw/zinc/56/38/92/452563892.db2.gz RXMFBVSPVCWIQU-UHFFFAOYSA-N 0 0 343.358 3.005 50 5 EGBARN COc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000000471818 452602809 /nfs/dbraw/zinc/60/28/09/452602809.db2.gz QXEASITUNIVRCD-LLVKDONJSA-N 0 0 330.340 3.354 50 5 EGBARN COc1ccc(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000000476154 452604704 /nfs/dbraw/zinc/60/47/04/452604704.db2.gz FQICZKFONXBVOF-UHFFFAOYSA-N 0 0 334.759 3.229 50 5 EGBARN CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000000618559 452633249 /nfs/dbraw/zinc/63/32/49/452633249.db2.gz SOBVDBSBBVFOIE-UHFFFAOYSA-N 0 0 336.351 3.149 50 5 EGBARN O=C1S[C@H](Nc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000002343904 452693661 /nfs/dbraw/zinc/69/36/61/452693661.db2.gz AWVJTVDSLNWKIY-AWEZNQCLSA-N 0 0 343.364 3.228 50 5 EGBARN Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000004310106 452800147 /nfs/dbraw/zinc/80/01/47/452800147.db2.gz YXCVEZSNVGXUAI-UHFFFAOYSA-N 0 0 329.381 3.338 50 5 EGBARN Cc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000004865724 452823274 /nfs/dbraw/zinc/82/32/74/452823274.db2.gz VVJRGAYSQLUMCZ-UHFFFAOYSA-N 0 0 340.383 3.257 50 5 EGBARN CC(=O)N1CCCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000005373657 452865081 /nfs/dbraw/zinc/86/50/81/452865081.db2.gz VXKSSBWPHYERMX-UHFFFAOYSA-N 0 0 339.351 3.146 50 5 EGBARN CCCc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1CC ZINC000007342092 453061209 /nfs/dbraw/zinc/06/12/09/453061209.db2.gz UXHWKKMMHKBQKG-UHFFFAOYSA-N 0 0 334.401 3.134 50 5 EGBARN O=c1ccc([N+](=O)[O-])cn1Cc1cc(Cl)ccc1OC(F)F ZINC000024826522 453748851 /nfs/dbraw/zinc/74/88/51/453748851.db2.gz IQIASUIZAFMLSC-UHFFFAOYSA-N 0 0 330.674 3.060 50 5 EGBARN Cc1ccc2c(cccc2NC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC000004733290 210263746 /nfs/dbraw/zinc/26/37/46/210263746.db2.gz KJYAJSGYENEGQW-UHFFFAOYSA-N 0 0 337.335 3.469 50 5 EGBARN Cc1ncc([N+](=O)[O-])n1S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000019943340 282168339 /nfs/dbraw/zinc/16/83/39/282168339.db2.gz MBWUFWNHEXLZKU-UHFFFAOYSA-N 0 0 349.412 3.384 50 5 EGBARN Cc1cc(C)cc(C[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000004644556 210236892 /nfs/dbraw/zinc/23/68/92/210236892.db2.gz KTBHZASAKUTZKV-HNNXBMFYSA-N 0 0 338.363 3.334 50 5 EGBARN CCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])o1 ZINC000101061377 219115624 /nfs/dbraw/zinc/11/56/24/219115624.db2.gz VRCJMMXKRLJLKS-ICFOKQHNSA-N 0 0 349.343 3.494 50 5 EGBARN COc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1[N+](=O)[O-] ZINC000002765612 209906640 /nfs/dbraw/zinc/90/66/40/209906640.db2.gz OIBRLNHBVDLRPR-QPEQYQDCSA-N 0 0 342.282 3.087 50 5 EGBARN O=C(NCc1ccco1)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000002761239 209903000 /nfs/dbraw/zinc/90/30/00/209903000.db2.gz NHAFCFXSGVCEQJ-UHFFFAOYSA-N 0 0 342.307 3.290 50 5 EGBARN O=C1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1Br ZINC000004154702 285021972 /nfs/dbraw/zinc/02/19/72/285021972.db2.gz OHAOGRQSWJPYPE-UHFFFAOYSA-N 0 0 347.124 3.158 50 5 EGBARN CCN(CC)c1nc(N)c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)n1 ZINC000005054719 210377754 /nfs/dbraw/zinc/37/77/54/210377754.db2.gz RIHNRDNOCWFXLB-UHFFFAOYSA-N 0 0 336.783 3.210 50 5 EGBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc2c(c1)OCO2 ZINC000005041310 210371984 /nfs/dbraw/zinc/37/19/84/210371984.db2.gz PNQPFKIOLQRZPF-UHFFFAOYSA-N 0 0 347.352 3.141 50 5 EGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2ccccc2C1 ZINC000005041582 210371649 /nfs/dbraw/zinc/37/16/49/210371649.db2.gz VORLPPJZFIZCRO-UHFFFAOYSA-N 0 0 327.340 3.194 50 5 EGBARN Cc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000005041579 210371398 /nfs/dbraw/zinc/37/13/98/210371398.db2.gz FYVHTHAZNWXJIT-UHFFFAOYSA-N 0 0 331.353 3.441 50 5 EGBARN CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000004809534 210282844 /nfs/dbraw/zinc/28/28/44/210282844.db2.gz ISQSXKPTAWKWRV-UHFFFAOYSA-N 0 0 336.369 3.103 50 5 EGBARN CC(=O)c1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000055031653 132193308 /nfs/dbraw/zinc/19/33/08/132193308.db2.gz RKJHUQZIYWPDPC-UHFFFAOYSA-N 0 0 339.395 3.120 50 5 EGBARN CCn1cc(-c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cn1 ZINC000017072569 276712931 /nfs/dbraw/zinc/71/29/31/276712931.db2.gz DZVIETWIWNJUGY-UHFFFAOYSA-N 0 0 349.423 3.387 50 5 EGBARN CN[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000020813162 277299160 /nfs/dbraw/zinc/29/91/60/277299160.db2.gz FQIHYTIJLIRZDF-SNVBAGLBSA-N 0 0 325.579 3.126 50 5 EGBARN Cc1ccc(NC(=O)c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)c(C)c1 ZINC000004834216 280909515 /nfs/dbraw/zinc/90/95/15/280909515.db2.gz XVKWBHGDBJHQOA-UHFFFAOYSA-N 0 0 330.388 3.495 50 5 EGBARN CCCc1nnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000000148966 452522474 /nfs/dbraw/zinc/52/24/74/452522474.db2.gz OGCPHSQKHBLRMP-UHFFFAOYSA-N 0 0 326.765 3.305 50 5 EGBARN O=[N+]([O-])c1cccc([C@@H]2C[C@H](c3ccccc3F)n3ncnc3N2)c1 ZINC000000222037 452541203 /nfs/dbraw/zinc/54/12/03/452541203.db2.gz YNPHFUJPZKHAMK-JKSUJKDBSA-N 0 0 339.330 3.472 50 5 EGBARN O=C(CSc1nc2ccccc2[nH]1)Nc1cccc([N+](=O)[O-])c1 ZINC000000300463 452557509 /nfs/dbraw/zinc/55/75/09/452557509.db2.gz SGDCFKAQUUBNSE-UHFFFAOYSA-N 0 0 328.353 3.202 50 5 EGBARN Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000000468947 452600348 /nfs/dbraw/zinc/60/03/48/452600348.db2.gz LMKUWMPVZYPTGI-UHFFFAOYSA-N 0 0 341.367 3.294 50 5 EGBARN CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000000471698 452601933 /nfs/dbraw/zinc/60/19/33/452601933.db2.gz WAXMWWQWLHEEID-UHFFFAOYSA-N 0 0 338.410 3.426 50 5 EGBARN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccccc1F ZINC000000552460 452619811 /nfs/dbraw/zinc/61/98/11/452619811.db2.gz NQPVGMNVQQIRCM-UHFFFAOYSA-N 0 0 333.344 3.169 50 5 EGBARN O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)Nc2sc3c(c21)CCCC3 ZINC000000565664 452624524 /nfs/dbraw/zinc/62/45/24/452624524.db2.gz XKXRZJGJXKDYNR-CQSZACIVSA-N 0 0 329.381 3.389 50 5 EGBARN Cc1cccc(C)c1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000000617661 452632983 /nfs/dbraw/zinc/63/29/83/452632983.db2.gz MRLJDCAKPNJJLI-UHFFFAOYSA-N 0 0 339.395 3.174 50 5 EGBARN Cc1cc(F)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001056183 452642677 /nfs/dbraw/zinc/64/26/77/452642677.db2.gz HXCVHGAKFMLFKF-UHFFFAOYSA-N 0 0 342.282 3.401 50 5 EGBARN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=N)NC2=O)o1 ZINC000002067781 452685350 /nfs/dbraw/zinc/68/53/50/452685350.db2.gz YADDUFGNLQPOEU-QPEQYQDCSA-N 0 0 345.336 3.002 50 5 EGBARN Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000002788428 452724128 /nfs/dbraw/zinc/72/41/28/452724128.db2.gz HPUNYNVJPMWIGM-MRVPVSSYSA-N 0 0 340.742 3.167 50 5 EGBARN COc1cccc(OCCOCCOc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000002987013 452738279 /nfs/dbraw/zinc/73/82/79/452738279.db2.gz FHAUFHNVYOGJQG-UHFFFAOYSA-N 0 0 347.367 3.386 50 5 EGBARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007039532 453022424 /nfs/dbraw/zinc/02/24/24/453022424.db2.gz CEXHGSVBOVNVSQ-UHFFFAOYSA-N 0 0 345.380 3.120 50 5 EGBARN Cc1ccc(NCCc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000008691703 453222443 /nfs/dbraw/zinc/22/24/43/453222443.db2.gz FCMHTNNNOIOVQU-UHFFFAOYSA-N 0 0 346.299 3.374 50 5 aggregator EGBARN O=C(c1ccc(F)cc1F)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000019880059 453659431 /nfs/dbraw/zinc/65/94/31/453659431.db2.gz UQLRHUGCMKWETD-UHFFFAOYSA-N 0 0 347.321 3.367 50 5 EGBARN CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000022995893 453702711 /nfs/dbraw/zinc/70/27/11/453702711.db2.gz LMQPCVYEIBVTQE-UHFFFAOYSA-N 0 0 341.795 3.305 50 5 EGBARN O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1ccccc1)c1ccccc1 ZINC000004820754 527371240 /nfs/dbraw/zinc/37/12/40/527371240.db2.gz GDAQTMOXPFARBU-UHFFFAOYSA-N 0 0 336.351 3.025 50 5 EGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1 ZINC000000037712 201425453 /nfs/dbraw/zinc/42/54/53/201425453.db2.gz YXXIBDSYPTWONG-UHFFFAOYSA-N 0 0 336.731 3.274 50 5 EGBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000196077 201447335 /nfs/dbraw/zinc/44/73/35/201447335.db2.gz QTTDDKQBCRHQTA-UHFFFAOYSA-N 0 0 329.143 3.045 50 5 EGBARN O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1CCc1ccccc1 ZINC000000296372 201458420 /nfs/dbraw/zinc/45/84/20/201458420.db2.gz NDONCDRCZAJFPM-QGZVFWFLSA-N 0 0 328.393 3.412 50 5 EGBARN CC(C)(C)c1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC000000464019 201476334 /nfs/dbraw/zinc/47/63/34/201476334.db2.gz BVJKNLXNJSESAW-RMKNXTFCSA-N 0 0 332.385 3.396 50 5 EGBARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000002764096 201543561 /nfs/dbraw/zinc/54/35/61/201543561.db2.gz QEFFABPPGAMMHH-UHFFFAOYSA-N 0 0 328.250 3.082 50 5 EGBARN COC(=O)c1ccc(OC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000000075947 205399303 /nfs/dbraw/zinc/39/93/03/205399303.db2.gz YBCQMMVDRXOYDN-UHFFFAOYSA-N 0 0 347.348 3.079 50 5 EGBARN O=C1C[C@H](c2ccc3c(c2)OCCO3)Oc2ccc([N+](=O)[O-])cc21 ZINC000000304815 205429728 /nfs/dbraw/zinc/42/97/28/205429728.db2.gz QVPRYDGGOFAXDG-MRXNPFEDSA-N 0 0 327.292 3.073 50 5 biogenic EGBARN COc1ccc(OC)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c1 ZINC000004078816 205680431 /nfs/dbraw/zinc/68/04/31/205680431.db2.gz YXBQCYVGTKAYMU-QPJJXVBHSA-N 0 0 334.353 3.325 50 5 EGBARN COC(=O)c1ccc(OC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000001741752 257900751 /nfs/dbraw/zinc/90/07/51/257900751.db2.gz WLPQOHCLRGDXCM-UHFFFAOYSA-N 0 0 334.259 3.131 50 5 EGBARN Cc1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000000455684 258048304 /nfs/dbraw/zinc/04/83/04/258048304.db2.gz UFDGVQIVSOXITR-UHFFFAOYSA-N 0 0 329.381 3.338 50 5 EGBARN CCOc1ccccc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000055543834 132196286 /nfs/dbraw/zinc/19/62/86/132196286.db2.gz AHZCBXWIKSSUBH-UHFFFAOYSA-N 0 0 341.411 3.316 50 5 EGBARN O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000083868 452502436 /nfs/dbraw/zinc/50/24/36/452502436.db2.gz GYKVYASPZLYFRG-UHFFFAOYSA-N 0 0 335.772 3.375 50 5 EGBARN CCOc1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 ZINC000000183858 452530635 /nfs/dbraw/zinc/53/06/35/452530635.db2.gz FMUNJBJUECZYOT-UHFFFAOYSA-N 0 0 344.323 3.032 50 5 EGBARN O=[N+]([O-])c1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000000285259 452555459 /nfs/dbraw/zinc/55/54/59/452555459.db2.gz NXIPOYHULSYMTB-UHFFFAOYSA-N 0 0 329.375 3.052 50 5 EGBARN COc1cccc(-c2noc([C@@H](C)n3nc(C)c([N+](=O)[O-])c3C)n2)c1 ZINC000000386261 452578226 /nfs/dbraw/zinc/57/82/26/452578226.db2.gz BCOXEHJWTVWUIE-LLVKDONJSA-N 0 0 343.343 3.076 50 5 EGBARN CCOC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000000456821 452597747 /nfs/dbraw/zinc/59/77/47/452597747.db2.gz VRPAZOXUYSSNIH-UHFFFAOYSA-N 0 0 328.324 3.332 50 5 EGBARN COc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1OC ZINC000000464001 452598335 /nfs/dbraw/zinc/59/83/35/452598335.db2.gz AREFHUQPYTZSLS-XBXARRHUSA-N 0 0 346.314 3.403 50 5 EGBARN COc1ccc(CCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000471709 452602409 /nfs/dbraw/zinc/60/24/09/452602409.db2.gz XTDDBVPBZIATRR-CYBMUJFWSA-N 0 0 328.368 3.066 50 5 EGBARN CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000469943 452602862 /nfs/dbraw/zinc/60/28/62/452602862.db2.gz XERDFSOCANLMOZ-UHFFFAOYSA-N 0 0 341.367 3.233 50 5 EGBARN CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000471161 452603023 /nfs/dbraw/zinc/60/30/23/452603023.db2.gz GSLXDDWUKJWVLM-UHFFFAOYSA-N 0 0 341.367 3.233 50 5 EGBARN CCN(C(=S)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000000578932 452627646 /nfs/dbraw/zinc/62/76/46/452627646.db2.gz UEOJMKPHTRVWKY-UHFFFAOYSA-N 0 0 329.381 3.136 50 5 EGBARN O=C(NC(C(F)(F)F)C(F)(F)F)OCc1ccc([N+](=O)[O-])cc1 ZINC000000994388 452640740 /nfs/dbraw/zinc/64/07/40/452640740.db2.gz GXYMNYMDTREARI-UHFFFAOYSA-N 0 0 346.183 3.314 50 5 EGBARN CSc1ccccc1NC(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000001067216 452644392 /nfs/dbraw/zinc/64/43/92/452644392.db2.gz ZDVAAXLNQFMLOS-NSHDSACASA-N 0 0 334.401 3.330 50 5 EGBARN O=c1ccc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2o1 ZINC000002285914 452692897 /nfs/dbraw/zinc/69/28/97/452692897.db2.gz FKGRKMCAKYMDRU-UHFFFAOYSA-N 0 0 328.236 3.402 50 5 EGBARN O=C(CCc1nc(-c2ccccc2)no1)Nc1cccc([N+](=O)[O-])c1 ZINC000002380853 452695979 /nfs/dbraw/zinc/69/59/79/452695979.db2.gz LPODYFPIEOUKQS-UHFFFAOYSA-N 0 0 338.323 3.216 50 5 EGBARN O=c1c2ccccc2ncn1CCCCOc1ccccc1[N+](=O)[O-] ZINC000002862628 452729956 /nfs/dbraw/zinc/72/99/56/452729956.db2.gz GUTYDNKQAUOYPU-UHFFFAOYSA-N 0 0 339.351 3.164 50 5 EGBARN Cc1ccc(OCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1C ZINC000003073515 452742217 /nfs/dbraw/zinc/74/22/17/452742217.db2.gz SCPZMRMRAPUSMM-UXBLZVDNSA-N 0 0 340.379 3.420 50 5 EGBARN NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Oc1ccc(Cl)cc1 ZINC000003149541 452745655 /nfs/dbraw/zinc/74/56/55/452745655.db2.gz UOKYCAJRWCWLLA-UHFFFAOYSA-N 0 0 337.675 3.048 50 5 EGBARN O=C(NC1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000003151779 452746046 /nfs/dbraw/zinc/74/60/46/452746046.db2.gz AJRQGIYXUMFQOM-UHFFFAOYSA-N 0 0 327.724 3.219 50 5 EGBARN O=[N+]([O-])c1ccccc1CN1CCN(Cc2cccc(F)c2)CC1 ZINC000004170500 452794462 /nfs/dbraw/zinc/79/44/62/452794462.db2.gz YBCBQTJYVSDMTO-UHFFFAOYSA-N 0 0 329.375 3.052 50 5 EGBARN CC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000004148267 452794547 /nfs/dbraw/zinc/79/45/47/452794547.db2.gz JWYWAZPSWPLKKI-UHFFFAOYSA-N 0 0 348.380 3.215 50 5 EGBARN Nc1nc(N2CCCCCC2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000004306336 452799884 /nfs/dbraw/zinc/79/98/84/452799884.db2.gz ZVBLPMJDIRDWKA-UHFFFAOYSA-N 0 0 346.366 3.230 50 5 EGBARN Cc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000004644382 452811317 /nfs/dbraw/zinc/81/13/17/452811317.db2.gz AEGBBRFGKNSILT-ZSOIEALJSA-N 0 0 326.283 3.387 50 5 EGBARN CCc1ccc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000004699108 452813325 /nfs/dbraw/zinc/81/33/25/452813325.db2.gz KRURAPCYHLTYCY-UHFFFAOYSA-N 0 0 330.340 3.183 50 5 EGBARN O=C(Nc1ccc(CCO)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004771238 452816838 /nfs/dbraw/zinc/81/68/38/452816838.db2.gz QZKQGUFASUYORY-UHFFFAOYSA-N 0 0 335.747 3.427 50 5 EGBARN COc1cccc(Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])c1 ZINC000004807867 452818452 /nfs/dbraw/zinc/81/84/52/452818452.db2.gz CPBOHAHOAKCYLO-UHFFFAOYSA-N 0 0 325.324 3.199 50 5 EGBARN O=C(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 ZINC000004833026 452818720 /nfs/dbraw/zinc/81/87/20/452818720.db2.gz XMZMSOSUJCVPED-UHFFFAOYSA-N 0 0 331.303 3.091 50 5 EGBARN COc1cc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OC ZINC000004842677 452821151 /nfs/dbraw/zinc/82/11/51/452821151.db2.gz HRZHYERBUGTXAJ-UHFFFAOYSA-N 0 0 330.296 3.429 50 5 EGBARN CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000004884948 452823743 /nfs/dbraw/zinc/82/37/43/452823743.db2.gz LAHXOZAMVNTXLM-UHFFFAOYSA-N 0 0 336.369 3.103 50 5 EGBARN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000005049824 452834046 /nfs/dbraw/zinc/83/40/46/452834046.db2.gz YPRUQGIWQCCPJV-UHFFFAOYSA-N 0 0 341.367 3.456 50 5 EGBARN CCOc1ccc(Nc2nc(NCC(C)C)nc(N)c2[N+](=O)[O-])cc1 ZINC000005099890 452836329 /nfs/dbraw/zinc/83/63/29/452836329.db2.gz GBHBKCCHNSFCIQ-UHFFFAOYSA-N 0 0 346.391 3.177 50 5 EGBARN Cc1[nH]nc(-c2ccc(O)cc2O)c1Oc1ccc([N+](=O)[O-])cc1 ZINC000005359536 452863122 /nfs/dbraw/zinc/86/31/22/452863122.db2.gz YDWJRXCQPCQXKY-UHFFFAOYSA-N 0 0 327.296 3.497 50 5 EGBARN N=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1nccs1 ZINC000005347198 452863545 /nfs/dbraw/zinc/86/35/45/452863545.db2.gz IMKKLVYZTATYFJ-WEYIDTPFSA-N 0 0 332.366 3.107 50 5 EGBARN COC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 ZINC000005910190 452909634 /nfs/dbraw/zinc/90/96/34/452909634.db2.gz BXHCLWHRBVYAMC-UHFFFAOYSA-N 0 0 344.330 3.076 50 5 EGBARN COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1 ZINC000008072637 453157977 /nfs/dbraw/zinc/15/79/77/453157977.db2.gz IVNFRXUGTACIHO-LLVKDONJSA-N 0 0 346.339 3.018 50 5 EGBARN CCn1c(Sc2ncccc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000009192227 453246868 /nfs/dbraw/zinc/24/68/68/453246868.db2.gz JTGJYZZBRGKYSK-UHFFFAOYSA-N 0 0 327.369 3.419 50 5 EGBARN O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3[C@@H]4[C@H]5[C@@H](CC[C@@H]35)[C@@H]42)c([N+](=O)[O-])c1 ZINC000230115690 456132012 /nfs/dbraw/zinc/13/20/12/456132012.db2.gz HNWWOXVKOZVYOS-VNDWQONVSA-N 0 0 330.340 3.310 50 5 EGBARN COc1c(Br)cc(Br)c(F)c1[N+](=O)[O-] ZINC000675050357 1298113010 /nfs/dbraw/zinc/11/30/10/1298113010.db2.gz CYWPEYNTNFTMSS-UHFFFAOYSA-N 0 0 328.919 3.268 50 5 EGBARN CC(=O)Oc1ccc2c(c1)occ(Oc1ccccc1[N+](=O)[O-])c2=O ZINC000000138797 201357411 /nfs/dbraw/zinc/35/74/11/201357411.db2.gz RALBTYUFRQPFPB-UHFFFAOYSA-N 0 0 341.275 3.419 50 5 biogenic EGBARN COc1cc2nc(-c3ccc(C)c([N+](=O)[O-])c3)oc(=O)c2cc1OC ZINC000000175370 201444284 /nfs/dbraw/zinc/44/42/84/201444284.db2.gz RICYZPTZSUSXTK-UHFFFAOYSA-N 0 0 342.307 3.089 50 5 EGBARN CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)NC1=S ZINC000000312704 201460063 /nfs/dbraw/zinc/46/00/63/201460063.db2.gz BBAYTFXAILPRAE-LCYFTJDESA-N 0 0 343.364 3.344 50 5 EGBARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010253655 201503226 /nfs/dbraw/zinc/50/32/26/201503226.db2.gz LZQDEBRCNOJBFF-UHFFFAOYSA-N 0 0 348.380 3.029 50 5 EGBARN CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000002995362 201553846 /nfs/dbraw/zinc/55/38/46/201553846.db2.gz DISDKYRCCXXJHS-UHFFFAOYSA-N 0 0 344.323 3.032 50 5 EGBARN COc1cc(C)ccc1OCCOCCOc1ccc([N+](=O)[O-])cc1 ZINC000002983631 201553950 /nfs/dbraw/zinc/55/39/50/201553950.db2.gz MITWSTGWPXSSFF-UHFFFAOYSA-N 0 0 347.367 3.386 50 5 EGBARN CCn1nc(C)c(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1C ZINC000005041936 201635709 /nfs/dbraw/zinc/63/57/09/201635709.db2.gz OMEQJVOBSWZPBD-UHFFFAOYSA-N 0 0 349.416 3.246 50 5 EGBARN O=C(NCc1ccc2c3c(cccc31)C(=O)N2)c1ccc([N+](=O)[O-])cc1 ZINC000000072067 205399722 /nfs/dbraw/zinc/39/97/22/205399722.db2.gz MEXHDMOECLBBCT-UHFFFAOYSA-N 0 0 347.330 3.244 50 5 EGBARN CC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000000103011 206208546 /nfs/dbraw/zinc/20/85/46/206208546.db2.gz QKGPEFPJXVYTSK-UHFFFAOYSA-N 0 0 333.731 3.459 50 5 EGBARN CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000102822 206208711 /nfs/dbraw/zinc/20/87/11/206208711.db2.gz HSKXKPHBWHTMJZ-UHFFFAOYSA-N 0 0 333.731 3.459 50 5 EGBARN COc1ccccc1CNC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000000452602 258048099 /nfs/dbraw/zinc/04/80/99/258048099.db2.gz DUZIWKBGIYBWNG-UHFFFAOYSA-N 0 0 346.408 3.153 50 5 EGBARN COc1cc(CN2CCc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000022591216 274094028 /nfs/dbraw/zinc/09/40/28/274094028.db2.gz DTUNGRORRJFOIQ-UHFFFAOYSA-N 0 0 328.368 3.170 50 5 EGBARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004995497 277187343 /nfs/dbraw/zinc/18/73/43/277187343.db2.gz DTSYYPUEZXTUCV-CQSZACIVSA-N 0 0 344.396 3.073 50 5 EGBARN CCOC(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000004990195 452829877 /nfs/dbraw/zinc/82/98/77/452829877.db2.gz QBQYRRBNJHFHGN-UHFFFAOYSA-N 0 0 326.780 3.023 50 5 EGBARN C[C@@H]1C[C@H](C)CN(c2nc(NC3CCCCC3)nc(N)c2[N+](=O)[O-])C1 ZINC000013777473 288653042 /nfs/dbraw/zinc/65/30/42/288653042.db2.gz BVMBXEUEWVJTIW-TXEJJXNPSA-N 0 0 348.451 3.194 50 5 EGBARN Cc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)o1 ZINC000000027706 452492468 /nfs/dbraw/zinc/49/24/68/452492468.db2.gz UNOAGQMFADJBKG-GHXNOFRVSA-N 0 0 332.699 3.494 50 5 EGBARN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000000074564 452498110 /nfs/dbraw/zinc/49/81/10/452498110.db2.gz SWCHXWUUKLUPRQ-UHFFFAOYSA-N 0 0 330.724 3.188 50 5 EGBARN CC(C)C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000000190328 452530962 /nfs/dbraw/zinc/53/09/62/452530962.db2.gz YNHQUAHVVWUBBR-UHFFFAOYSA-N 0 0 332.385 3.122 50 5 EGBARN CCC1=NN(C(=O)c2ccccc2[N+](=O)[O-])[C@](O)(c2ccccc2)C1 ZINC000000329509 452565083 /nfs/dbraw/zinc/56/50/83/452565083.db2.gz ONGNFWNJDUCRLV-GOSISDBHSA-N 0 0 339.351 3.052 50 5 EGBARN CN(Cc1ccccc1)C(=O)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000000422915 452586906 /nfs/dbraw/zinc/58/69/06/452586906.db2.gz KBNLESBYHDMMHP-UHFFFAOYSA-N 0 0 343.386 3.120 50 5 EGBARN CC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000436578 452590798 /nfs/dbraw/zinc/59/07/98/452590798.db2.gz AKUPHDFMVJYMTI-UHFFFAOYSA-N 0 0 334.715 3.426 50 5 EGBARN CCn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1ccco1 ZINC000000470391 452602143 /nfs/dbraw/zinc/60/21/43/452602143.db2.gz 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452643420 /nfs/dbraw/zinc/64/34/20/452643420.db2.gz ABYRWNCLHKMPAB-HNNXBMFYSA-N 0 0 339.395 3.254 50 5 EGBARN O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1ccc(F)c(Cl)c1 ZINC000001423410 452664209 /nfs/dbraw/zinc/66/42/09/452664209.db2.gz UMWPAJZKRMUXBS-UHFFFAOYSA-N 0 0 326.715 3.003 50 5 EGBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3)nc21 ZINC000001518254 452668430 /nfs/dbraw/zinc/66/84/30/452668430.db2.gz BFBKWTOAUNBCKU-UHFFFAOYSA-N 0 0 329.337 3.465 50 5 EGBARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000001981235 452683532 /nfs/dbraw/zinc/68/35/32/452683532.db2.gz TWWMTHDJBDTAQW-CYBMUJFWSA-N 0 0 342.351 3.396 50 5 EGBARN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000003002512 452740320 /nfs/dbraw/zinc/74/03/20/452740320.db2.gz SFMFSAPMUKBXBA-UHFFFAOYSA-N 0 0 344.323 3.017 50 5 EGBARN COc1cccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)c1 ZINC000003069974 452742624 /nfs/dbraw/zinc/74/26/24/452742624.db2.gz MPDAHCBCVNMJKX-UHFFFAOYSA-N 0 0 338.323 3.041 50 5 EGBARN 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Cc1nc(NC[C@@H]2CCCO2)nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000038488504 213210103 /nfs/dbraw/zinc/21/01/03/213210103.db2.gz BMMOGHHHEYEAFE-ZDUSSCGKSA-N 0 0 335.408 3.029 50 5 EGBARN CCOC(=O)c1cn(C(C)C)c2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000000494639 209635757 /nfs/dbraw/zinc/63/57/57/209635757.db2.gz WKXSQFXGCFRMQG-UHFFFAOYSA-N 0 0 338.747 3.321 50 5 EGBARN COc1cccc([C@@H](CC#N)OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000185741 209471204 /nfs/dbraw/zinc/47/12/04/209471204.db2.gz LDOULPRDRANOSH-MRXNPFEDSA-N 0 0 326.308 3.415 50 5 EGBARN CCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1 ZINC000005092128 210388573 /nfs/dbraw/zinc/38/85/73/210388573.db2.gz GMGBDVYOWVIZTE-UHFFFAOYSA-N 0 0 328.284 3.051 50 5 EGBARN O=[N+]([O-])c1ccc(-c2nn3c(nnc3-c3cccs3)s2)cc1 ZINC000005346941 275034594 /nfs/dbraw/zinc/03/45/94/275034594.db2.gz GURYRPAXXSAEEP-UHFFFAOYSA-N 0 0 329.366 3.490 50 5 EGBARN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]21 ZINC000000064188 275556352 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O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000000491524 452608593 /nfs/dbraw/zinc/60/85/93/452608593.db2.gz AKGAAPZENNXCLP-MDZDMXLPSA-N 0 0 327.365 3.121 50 5 EGBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CCCC2 ZINC000000621191 452633029 /nfs/dbraw/zinc/63/30/29/452633029.db2.gz VURARVDDJBGPCZ-UHFFFAOYSA-N 0 0 326.352 3.491 50 5 EGBARN Cc1nn(C(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1Br ZINC000001001978 452641180 /nfs/dbraw/zinc/64/11/80/452641180.db2.gz HHACLPFFSVXFRT-UHFFFAOYSA-N 0 0 338.161 3.168 50 5 EGBARN COc1ccccc1O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000001103566 452647164 /nfs/dbraw/zinc/64/71/64/452647164.db2.gz YNEOMJAGNPBOCJ-GFCCVEGCSA-N 0 0 330.340 3.318 50 5 EGBARN Cc1ccc(C(=O)NC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000002844075 452729366 /nfs/dbraw/zinc/72/93/66/452729366.db2.gz RKIFNZUQBIQDMU-UHFFFAOYSA-N 0 0 329.381 3.338 50 5 EGBARN O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C/c1ccc(Br)o1 ZINC000004543009 452808548 /nfs/dbraw/zinc/80/85/48/452808548.db2.gz 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COC(=O)c1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000004797197 210280538 /nfs/dbraw/zinc/28/05/38/210280538.db2.gz ARNKTAQWFCGKKX-UHFFFAOYSA-N 0 0 346.295 3.001 50 5 EGBARN O=C1c2cccc3cccc(c32)C(=O)N1Nc1ccc([N+](=O)[O-])cc1 ZINC000004996297 257868286 /nfs/dbraw/zinc/86/82/86/257868286.db2.gz RRMBGASEVOJPNO-UHFFFAOYSA-N 0 0 333.303 3.371 50 5 EGBARN O=C1C[C@@H](c2ccc3c(c2)OCCCO3)Oc2ccc([N+](=O)[O-])cc21 ZINC000000138856 275019863 /nfs/dbraw/zinc/01/98/63/275019863.db2.gz LEIOTTRFMICXPR-KRWDZBQOSA-N 0 0 341.319 3.463 50 5 biogenic EGBARN CCc1nc2oc3ccccc3c(=O)c2c(=O)n1-c1ccc(C)cc1 ZINC000002346575 281530550 /nfs/dbraw/zinc/53/05/50/281530550.db2.gz BYYOJQGOODCASN-UHFFFAOYSA-N 0 0 332.359 3.363 50 5 EGBARN O=[N+]([O-])c1ccc(OCc2noc(-c3ccnc(Cl)c3)n2)cc1 ZINC000000166723 452524607 /nfs/dbraw/zinc/52/46/07/452524607.db2.gz GACKZHRDOQNIGG-UHFFFAOYSA-N 0 0 332.703 3.272 50 5 EGBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)c(OC)cc1Cl ZINC000000183131 452529209 /nfs/dbraw/zinc/52/92/09/452529209.db2.gz JQCASTAWRSTPRW-UHFFFAOYSA-N 0 0 326.692 3.111 50 5 EGBARN O=C(CSc1nnc(-c2ccncc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000000189038 452530464 /nfs/dbraw/zinc/53/04/64/452530464.db2.gz QOVIUGDERBGOSV-UHFFFAOYSA-N 0 0 342.336 3.015 50 5 EGBARN O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1CCc1ccccc1 ZINC000000193206 452531214 /nfs/dbraw/zinc/53/12/14/452531214.db2.gz FXMRZXOHASDXPR-QGZVFWFLSA-N 0 0 328.393 3.412 50 5 EGBARN COC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000000183645 452531830 /nfs/dbraw/zinc/53/18/30/452531830.db2.gz JDFMNYOFLPILAP-UHFFFAOYSA-N 0 0 334.715 3.287 50 5 EGBARN Cc1nn(CCCC(=O)Nc2ccc(F)cc2F)c(C)c1[N+](=O)[O-] ZINC000000215093 452539119 /nfs/dbraw/zinc/53/91/19/452539119.db2.gz GXDKRUBEYUGLLW-UHFFFAOYSA-N 0 0 338.314 3.105 50 5 EGBARN Cc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000000342560 452566638 /nfs/dbraw/zinc/56/66/38/452566638.db2.gz YIZCHWUHWLIVOF-UHFFFAOYSA-N 0 0 342.277 3.066 50 5 EGBARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000469970 452602909 /nfs/dbraw/zinc/60/29/09/452602909.db2.gz VNXPOKJZSQZQEZ-LBPRGKRZSA-N 0 0 341.367 3.375 50 5 EGBARN CCOC(=O)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000001225991 452648598 /nfs/dbraw/zinc/64/85/98/452648598.db2.gz ZYEBUKQHNLJYHG-OAHLLOKOSA-N 0 0 334.372 3.293 50 5 EGBARN COc1cc(/C=C/[N+](=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000001744279 452677280 /nfs/dbraw/zinc/67/72/80/452677280.db2.gz JSBRNDUJBKQPGF-BQYQJAHWSA-N 0 0 330.296 3.430 50 5 in-vitro EGBARN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000002102757 452684753 /nfs/dbraw/zinc/68/47/53/452684753.db2.gz RVQQMVADDVGFHT-CQSZACIVSA-N 0 0 329.312 3.384 50 5 EGBARN COc1ccc(OC)c(NC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000002173653 452688032 /nfs/dbraw/zinc/68/80/32/452688032.db2.gz XJYCIXLYOXZUGK-UHFFFAOYSA-N 0 0 335.291 3.395 50 5 EGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc2cccnc21 ZINC000002694660 452715130 /nfs/dbraw/zinc/71/51/30/452715130.db2.gz URGAGTDFDLIGRT-UHFFFAOYSA-N 0 0 344.348 3.219 50 5 EGBARN CCc1cc(C(=O)OC)c(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000002807603 452727962 /nfs/dbraw/zinc/72/79/62/452727962.db2.gz UHQIVBWJRFXHGF-UHFFFAOYSA-N 0 0 348.380 3.187 50 5 EGBARN O=C(NCCCCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003095225 452742745 /nfs/dbraw/zinc/74/27/45/452742745.db2.gz DBFREFBSBGMHPX-UHFFFAOYSA-N 0 0 343.339 3.256 50 5 EGBARN O=C(CCCC(=O)OCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000003112112 452744267 /nfs/dbraw/zinc/74/42/67/452744267.db2.gz ILONYMVSSNQSRQ-UHFFFAOYSA-N 0 0 342.351 3.447 50 5 EGBARN O=C(OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000004053255 452790219 /nfs/dbraw/zinc/79/02/19/452790219.db2.gz OXDFIUSNJBBKMD-UHFFFAOYSA-N 0 0 326.352 3.421 50 5 EGBARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004857273 452821950 /nfs/dbraw/zinc/82/19/50/452821950.db2.gz LPXAZMMRSUEHEU-BJOHPYRUSA-N 0 0 348.742 3.415 50 5 EGBARN CC1CCN(c2ccc(C(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000004998489 452830134 /nfs/dbraw/zinc/83/01/34/452830134.db2.gz QDSSJZDYQHKMFO-UHFFFAOYSA-N 0 0 331.416 3.457 50 5 EGBARN CCOC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000006870076 453000565 /nfs/dbraw/zinc/00/05/65/453000565.db2.gz UKCATMHMULAARY-UHFFFAOYSA-N 0 0 346.305 3.393 50 5 EGBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC[C@@H](C)C3)n2)cc1 ZINC000009360646 453250410 /nfs/dbraw/zinc/25/04/10/453250410.db2.gz KEUSFIFXHBYISI-GFCCVEGCSA-N 0 0 342.403 3.255 50 5 EGBARN CC(C)(C)OC(=O)n1nc(Br)c2cc([N+](=O)[O-])ccc21 ZINC000066348977 453838292 /nfs/dbraw/zinc/83/82/92/453838292.db2.gz BWYOEKHPBGLTHI-UHFFFAOYSA-N 0 0 342.149 3.490 50 5 EGBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000004560622 546508356 /nfs/dbraw/zinc/50/83/56/546508356.db2.gz YKRRUWRTJVKLKV-UHFFFAOYSA-N 0 0 333.344 3.169 50 5 EGBARN CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000052909333 214153945 /nfs/dbraw/zinc/15/39/45/214153945.db2.gz HIXPBNNVJPCMSF-UHFFFAOYSA-N 0 0 335.404 3.084 50 5 EGBARN CCN1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O ZINC000004687964 210247351 /nfs/dbraw/zinc/24/73/51/210247351.db2.gz WWXIWDHMPMUXDV-GXDHUFHOSA-N 0 0 343.364 3.442 50 5 EGBARN CCCC[C@H](CC)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000004673173 210242405 /nfs/dbraw/zinc/24/24/05/210242405.db2.gz YDIOEOYHHJZRCK-LBPRGKRZSA-N 0 0 336.388 3.328 50 5 EGBARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000004647154 210236564 /nfs/dbraw/zinc/23/65/64/210236564.db2.gz AYMUTQDLYXNPQH-LBPRGKRZSA-N 0 0 330.340 3.318 50 5 EGBARN Cc1cc(C)cc(C[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000100548050 219101513 /nfs/dbraw/zinc/10/15/13/219101513.db2.gz KTBHZASAKUTZKV-OAHLLOKOSA-N 0 0 338.363 3.334 50 5 EGBARN Nc1ncnc(Nc2ccc(OCc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000003912569 210092003 /nfs/dbraw/zinc/09/20/03/210092003.db2.gz WKQKBQQTPDXPCC-UHFFFAOYSA-N 0 0 337.339 3.290 50 5 EGBARN CCOc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000003833417 210077950 /nfs/dbraw/zinc/07/79/50/210077950.db2.gz DRNZHAGXISERCA-UHFFFAOYSA-N 0 0 336.369 3.103 50 5 EGBARN Nc1nc(SCc2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000002877240 209933035 /nfs/dbraw/zinc/93/30/35/209933035.db2.gz XKVLSCPRFGJCJU-UHFFFAOYSA-N 0 0 327.369 3.050 50 5 EGBARN Cc1nn(CCCC(=O)Nc2ccc(F)c(F)c2)c(C)c1[N+](=O)[O-] ZINC000001429870 209747443 /nfs/dbraw/zinc/74/74/43/209747443.db2.gz YFYIXERRFIYCNC-UHFFFAOYSA-N 0 0 338.314 3.105 50 5 EGBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2F)CC1 ZINC000000610727 209676574 /nfs/dbraw/zinc/67/65/74/209676574.db2.gz HHWPZDMVRZFQCF-UHFFFAOYSA-N 0 0 344.346 3.088 50 5 EGBARN COc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000450925 209607909 /nfs/dbraw/zinc/60/79/09/209607909.db2.gz GLUXMWIAKSYXRF-LLVKDONJSA-N 0 0 330.340 3.103 50 5 EGBARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000316786 209533175 /nfs/dbraw/zinc/53/31/75/209533175.db2.gz LQOZELHPKVNXLU-UHFFFAOYSA-N 0 0 328.324 3.251 50 5 EGBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCCCC1 ZINC000000313629 209531302 /nfs/dbraw/zinc/53/13/02/209531302.db2.gz QXNJLYULIQAAHC-UHFFFAOYSA-N 0 0 337.426 3.309 50 5 EGBARN COc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000000060230 209394076 /nfs/dbraw/zinc/39/40/76/209394076.db2.gz FJNHKGPBJMXUHR-VQHVLOKHSA-N 0 0 328.324 3.264 50 5 biogenic EGBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccccc1 ZINC000005090833 210387787 /nfs/dbraw/zinc/38/77/87/210387787.db2.gz RMMJBXFOYMOGBZ-JXMROGBWSA-N 0 0 341.392 3.430 50 5 EGBARN O=[N+]([O-])c1ccccc1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000004977498 210346133 /nfs/dbraw/zinc/34/61/33/210346133.db2.gz DUAVZTPOHKKPCE-RMKNXTFCSA-N 0 0 337.423 3.426 50 5 EGBARN CCCCC[C@@H]1C[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004764824 210274643 /nfs/dbraw/zinc/27/46/43/210274643.db2.gz HXOWVUPIWNLELW-SWLSCSKDSA-N 0 0 334.372 3.435 50 5 EGBARN CC[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C12CC3CC(CC(C3)C1)C2 ZINC000006489259 258051987 /nfs/dbraw/zinc/05/19/87/258051987.db2.gz JZJPJXYVXIXSKR-ZJZJNUNYSA-N 0 0 346.431 3.053 50 5 EGBARN c1ccc(-c2nc3sc4c(ncn5nnnc45)c3c3c2CCC3)cc1 ZINC000000549238 275066390 /nfs/dbraw/zinc/06/63/90/275066390.db2.gz WYCUXYVLZIEHBD-UHFFFAOYSA-N 0 0 344.403 3.438 50 5 EGBARN O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1CN1CCCCC1 ZINC000020265824 280312923 /nfs/dbraw/zinc/31/29/23/280312923.db2.gz ZMIXTGUORMNXTQ-GXDHUFHOSA-N 0 0 347.396 3.075 50 5 EGBARN CCC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccccc2)C1 ZINC000000108393 452509902 /nfs/dbraw/zinc/50/99/02/452509902.db2.gz FTZLMVOJSFHVII-GOSISDBHSA-N 0 0 339.351 3.052 50 5 EGBARN Cc1ccc(C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000000255790 452548386 /nfs/dbraw/zinc/54/83/86/452548386.db2.gz RWANLGQXHLSGEG-UHFFFAOYSA-N 0 0 336.145 3.313 50 5 EGBARN COc1cc2c(cc1OC)[C@H](c1ccc(C)c([N+](=O)[O-])c1)CC(=O)N2 ZINC000000427635 452588791 /nfs/dbraw/zinc/58/87/91/452588791.db2.gz MEUMUQVTWZHLHC-LBPRGKRZSA-N 0 0 342.351 3.395 50 5 EGBARN CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000000445130 452593244 /nfs/dbraw/zinc/59/32/44/452593244.db2.gz OOEBHCDRSWPXIA-UHFFFAOYSA-N 0 0 330.340 3.279 50 5 EGBARN Cc1cccc(C)c1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000453507 452597204 /nfs/dbraw/zinc/59/72/04/452597204.db2.gz GDPFJMFDYPUYJX-UHFFFAOYSA-N 0 0 329.381 3.338 50 5 EGBARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc([N+](=O)[O-])ccc1F ZINC000000551679 452619647 /nfs/dbraw/zinc/61/96/47/452619647.db2.gz BVIUKWDFWUJLJH-HNNXBMFYSA-N 0 0 348.286 3.032 50 5 EGBARN O=[N+]([O-])c1nn(Cc2c(F)cccc2Cl)cc1Br ZINC000000614328 452631381 /nfs/dbraw/zinc/63/13/81/452631381.db2.gz YSQRIDLMSHAXBP-UHFFFAOYSA-N 0 0 334.532 3.395 50 5 EGBARN C[S@](=O)c1ccccc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000001397986 452660122 /nfs/dbraw/zinc/66/01/22/452660122.db2.gz AONWFXJQSRTWMF-HSZRJFAPSA-N 0 0 329.337 3.049 50 5 EGBARN CCN(CC)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000001410879 452662687 /nfs/dbraw/zinc/66/26/87/452662687.db2.gz YCNPMMQMYUOHEB-UHFFFAOYSA-N 0 0 343.383 3.459 50 5 EGBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc2ccccc21 ZINC000002532711 452704810 /nfs/dbraw/zinc/70/48/10/452704810.db2.gz KEEGWFFUTWIEKK-UHFFFAOYSA-N 0 0 342.376 3.227 50 5 EGBARN CCOc1ccccc1OCCOCCOc1ccccc1[N+](=O)[O-] ZINC000002984855 452738735 /nfs/dbraw/zinc/73/87/35/452738735.db2.gz IOJGTDMWQCPCKY-UHFFFAOYSA-N 0 0 347.367 3.468 50 5 EGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)n1cnc2ccc([N+](=O)[O-])cc21 ZINC000003091322 452741578 /nfs/dbraw/zinc/74/15/78/452741578.db2.gz OBNCACBUKDZEQB-UHFFFAOYSA-N 0 0 345.246 3.072 50 5 EGBARN COc1ccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)cc1 ZINC000003069973 452743020 /nfs/dbraw/zinc/74/30/20/452743020.db2.gz HVRZRICZDPCFCE-UHFFFAOYSA-N 0 0 338.323 3.041 50 5 EGBARN C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)C1 ZINC000004306371 452800372 /nfs/dbraw/zinc/80/03/72/452800372.db2.gz QMIHRHRGDQOUFU-JTQLQIEISA-N 0 0 346.366 3.086 50 5 EGBARN C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(Nc3ccccc3)n2)C1 ZINC000006399124 452940598 /nfs/dbraw/zinc/94/05/98/452940598.db2.gz WCAAOOOSSHKGQM-VXGBXAGGSA-N 0 0 342.403 3.193 50 5 EGBARN Cc1ccc2cccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2n1 ZINC000016348859 453602100 /nfs/dbraw/zinc/60/21/00/453602100.db2.gz WYTZFQQLIJULCP-UHFFFAOYSA-N 0 0 337.335 3.469 50 5 EGBARN CC(C)(C)OC(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000103762577 454567698 /nfs/dbraw/zinc/56/76/98/454567698.db2.gz OGYKHNGTLPVYDA-UHFFFAOYSA-N 0 0 341.795 3.305 50 5 EGBARN CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000261493525 455907836 /nfs/dbraw/zinc/90/78/36/455907836.db2.gz CUKWVFJFVLAABI-UHFFFAOYSA-N 0 0 341.795 3.305 50 5 EGBARN Nc1nc(Nc2ccccc2F)nc(NCc2ccco2)c1[N+](=O)[O-] ZINC000017198447 462997446 /nfs/dbraw/zinc/99/74/46/462997446.db2.gz AKRQVKLRGXQTBE-UHFFFAOYSA-N 0 0 344.306 3.055 50 5 EGBARN O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000003880675 210084150 /nfs/dbraw/zinc/08/41/50/210084150.db2.gz YTYFAJJZCOHJPQ-UHFFFAOYSA-N 0 0 335.772 3.375 50 5 EGBARN O=[N+]([O-])c1ccc(NCCCO)cc1Sc1nc2ccccc2[nH]1 ZINC000003877244 210082672 /nfs/dbraw/zinc/08/26/72/210082672.db2.gz RCEQMNFLPVFVPQ-UHFFFAOYSA-N 0 0 344.396 3.417 50 5 EGBARN CN1c2ccc([N+](=O)[O-])cc2C(c2ccccc2Cl)=NCC1=O ZINC000013651892 283263841 /nfs/dbraw/zinc/26/38/41/283263841.db2.gz AZVBJJDUDXZLTM-UHFFFAOYSA-N 0 0 329.743 3.062 50 5 in-vitro EGBARN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000000273395 209513122 /nfs/dbraw/zinc/51/31/22/209513122.db2.gz GCAXJSWDAQYKHK-UHFFFAOYSA-N 0 0 329.143 3.045 50 5 EGBARN CCCn1c2ccccc2n(CC(=O)c2ccc([N+](=O)[O-])cc2)c1=N ZINC000019799280 212069778 /nfs/dbraw/zinc/06/97/78/212069778.db2.gz CFYISDJTPDWXDI-UHFFFAOYSA-N 0 0 338.367 3.123 50 5 EGBARN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccccc1O ZINC000003206785 285017945 /nfs/dbraw/zinc/01/79/45/285017945.db2.gz IWGUCAYNNLEWBI-UHFFFAOYSA-N 0 0 334.287 3.254 50 5 EGBARN Cc1c(C(=O)Nc2c3ccccc3oc2C(N)=O)cccc1[N+](=O)[O-] ZINC000004851933 210301006 /nfs/dbraw/zinc/30/10/06/210301006.db2.gz QRSPREOXHXWEQB-UHFFFAOYSA-N 0 0 339.307 3.001 50 5 EGBARN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc([N+](=O)[O-])cn1 ZINC000004810605 210283415 /nfs/dbraw/zinc/28/34/15/210283415.db2.gz QDYPBMGXRMEERX-SSDOTTSWSA-N 0 0 329.143 3.298 50 5 EGBARN CC(=O)c1ccc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000055031397 132192848 /nfs/dbraw/zinc/19/28/48/132192848.db2.gz TYKRPNHMZHAKIR-UHFFFAOYSA-N 0 0 339.395 3.120 50 5 EGBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3c(N3CCOCC3)n2)c1 ZINC000001753170 135655991 /nfs/dbraw/zinc/65/59/91/135655991.db2.gz WOEYEDKSENBIKI-UHFFFAOYSA-N 0 0 336.351 3.042 50 5 EGBARN Cc1cc(Br)cc([N+](=O)[O-])c1I ZINC000036532875 280307927 /nfs/dbraw/zinc/30/79/27/280307927.db2.gz PZGNEGICJCQNAW-UHFFFAOYSA-N 0 0 341.930 3.270 50 5 EGBARN Cc1ccc(C[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C)cc1 ZINC000100548034 280836788 /nfs/dbraw/zinc/83/67/88/280836788.db2.gz JXRZPDQEFJDIHE-DYVFJYSZSA-N 0 0 338.363 3.271 50 5 EGBARN COc1ccccc1OCCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004342346 295376276 /nfs/dbraw/zinc/37/62/76/295376276.db2.gz FOLJQMJCAPIMIY-UHFFFAOYSA-N 0 0 330.340 3.401 50 5 EGBARN O=c1c([N+](=O)[O-])c(-n2ccnc2)c2ccccc2n1-c1ccccc1 ZINC000005043238 304815606 /nfs/dbraw/zinc/81/56/06/304815606.db2.gz UAAKGMWUPIZBEJ-UHFFFAOYSA-N 0 0 332.319 3.085 50 5 EGBARN COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000000094894 452506561 /nfs/dbraw/zinc/50/65/61/452506561.db2.gz JZHUTDFLTOBWJY-LBPRGKRZSA-N 0 0 328.324 3.086 50 5 EGBARN O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000000113994 452510268 /nfs/dbraw/zinc/51/02/68/452510268.db2.gz AWMULXKOOGBZBE-UHFFFAOYSA-N 0 0 340.364 3.289 50 5 EGBARN Cn1c2ccccc2c2nn3c(nnc3SCc3ccccc3)nc21 ZINC000000216394 452539748 /nfs/dbraw/zinc/53/97/48/452539748.db2.gz GEEMNYZCZHLDKK-UHFFFAOYSA-N 0 0 346.419 3.457 50 5 EGBARN O=C(NC1CCCCCC1)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000000422959 452587264 /nfs/dbraw/zinc/58/72/64/452587264.db2.gz CACDIUUZDCRNHZ-UHFFFAOYSA-N 0 0 335.407 3.300 50 5 EGBARN O=c1nc(-c2ccccc2[N+](=O)[O-])[nH]c2sc3c(c21)CCCC3 ZINC000001121491 452647386 /nfs/dbraw/zinc/64/73/86/452647386.db2.gz CBULGVDKPTYDLJ-UHFFFAOYSA-N 0 0 327.365 3.439 50 5 EGBARN O=C(OCCCc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000002028918 452683473 /nfs/dbraw/zinc/68/34/73/452683473.db2.gz NZRYFSHUOXNTAL-UHFFFAOYSA-N 0 0 325.324 3.261 50 5 EGBARN Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1[C@H](C)c1ccccc1 ZINC000002241328 452691073 /nfs/dbraw/zinc/69/10/73/452691073.db2.gz AOICXUBZGLBTRD-CYBMUJFWSA-N 0 0 345.402 3.166 50 5 EGBARN O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccc(F)cc2)CC1 ZINC000002760741 452721294 /nfs/dbraw/zinc/72/12/94/452721294.db2.gz NDJTWGCJAJFMBF-UHFFFAOYSA-N 0 0 329.375 3.052 50 5 EGBARN COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000003101362 452742102 /nfs/dbraw/zinc/74/21/02/452742102.db2.gz FKKMNPYVEWUSBB-JTQLQIEISA-N 0 0 345.311 3.003 50 5 EGBARN O=C(Nc1ccc(F)cc1F)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 ZINC000003069970 452742490 /nfs/dbraw/zinc/74/24/90/452742490.db2.gz YNGQRIDCMUQLLA-UHFFFAOYSA-N 0 0 344.277 3.311 50 5 EGBARN C[C@@H](O)CNc1ccc([N+](=O)[O-])c(Sc2nc3ccccc3[nH]2)c1 ZINC000004550218 452809321 /nfs/dbraw/zinc/80/93/21/452809321.db2.gz XSLJHXLUHMFHLY-SNVBAGLBSA-N 0 0 344.396 3.415 50 5 EGBARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=N)NC2=O)o1 ZINC000005342786 452861367 /nfs/dbraw/zinc/86/13/67/452861367.db2.gz GCACSIUOKLMFEG-NTUHNPAUSA-N 0 0 329.337 3.302 50 5 EGBARN O=C(NCCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000006472156 452947053 /nfs/dbraw/zinc/94/70/53/452947053.db2.gz FFYINXFDRSMZTF-UHFFFAOYSA-N 0 0 349.730 3.129 50 5 EGBARN CC(C)(C)C1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000017071255 453628345 /nfs/dbraw/zinc/62/83/45/453628345.db2.gz HCSXCFCWGCUVJH-UHFFFAOYSA-N 0 0 340.445 3.478 50 5 EGBARN CC(C)(C)OC(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000038985490 453942695 /nfs/dbraw/zinc/94/26/95/453942695.db2.gz PAPJULZEPRQBDR-UHFFFAOYSA-N 0 0 335.404 3.084 50 5 EGBARN COC(=O)c1cc(N2CCC(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000078558672 454275465 /nfs/dbraw/zinc/27/54/65/454275465.db2.gz SHPUYOWDMBRPHI-UHFFFAOYSA-N 0 0 332.278 3.160 50 5 EGBARN Cc1ccc(SCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000004703258 210253937 /nfs/dbraw/zinc/25/39/37/210253937.db2.gz MFZZVZRHFHRDAF-UHFFFAOYSA-N 0 0 330.409 3.354 50 5 EGBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000004587972 210228213 /nfs/dbraw/zinc/22/82/13/210228213.db2.gz YNDKYUMODKMORU-UHFFFAOYSA-N 0 0 341.801 3.437 50 5 EGBARN O=C(CSc1nc2ccccc2o1)Nc1ccccc1[N+](=O)[O-] ZINC000004416860 210190133 /nfs/dbraw/zinc/19/01/33/210190133.db2.gz XMFBEWRSMCIQFL-UHFFFAOYSA-N 0 0 329.337 3.467 50 5 EGBARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000004121811 210126306 /nfs/dbraw/zinc/12/63/06/210126306.db2.gz PYPLLNCCLNXPDB-AWEZNQCLSA-N 0 0 343.364 3.036 50 5 EGBARN CC(C)c1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000004072259 210113596 /nfs/dbraw/zinc/11/35/96/210113596.db2.gz ZMSLDXVXBNWNCN-UHFFFAOYSA-N 0 0 326.765 3.475 50 5 EGBARN CNC(=S)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000547357 209659484 /nfs/dbraw/zinc/65/94/84/209659484.db2.gz VKVLVILAGKDFPX-INIZCTEOSA-N 0 0 340.408 3.250 50 5 EGBARN CCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-] ZINC000000451186 209607790 /nfs/dbraw/zinc/60/77/90/209607790.db2.gz YWLKXPHGWFQDQD-UHFFFAOYSA-N 0 0 328.324 3.448 50 5 EGBARN Cc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000000361070 209551167 /nfs/dbraw/zinc/55/11/67/209551167.db2.gz WYRSVGLJHPXYOY-UHFFFAOYSA-N 0 0 333.344 3.169 50 5 EGBARN Cc1ccc(OCCCN2C(=O)COc3cc([N+](=O)[O-])ccc32)cc1 ZINC000019772416 212064586 /nfs/dbraw/zinc/06/45/86/212064586.db2.gz FWCNCIHXFPQEEG-UHFFFAOYSA-N 0 0 342.351 3.098 50 5 EGBARN O=C(c1ccc(Cl)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004575555 284653916 /nfs/dbraw/zinc/65/39/16/284653916.db2.gz GHBNIXJBYVNUMZ-UHFFFAOYSA-N 0 0 346.770 3.316 50 5 EGBARN Cc1cc(Oc2cc([N+](=O)[O-])cc(-n3cnnn3)c2)ccc1Cl ZINC000012445850 211385418 /nfs/dbraw/zinc/38/54/18/211385418.db2.gz RLRQRAJJGWKLIB-UHFFFAOYSA-N 0 0 331.719 3.325 50 5 EGBARN Cn1ccnc1-c1nn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12 ZINC000011906214 211266277 /nfs/dbraw/zinc/26/62/77/211266277.db2.gz LCZXGMRAPYQDKJ-UHFFFAOYSA-N 0 0 333.351 3.393 50 5 EGBARN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000010253449 211157780 /nfs/dbraw/zinc/15/77/80/211157780.db2.gz JYHZQUAZWFESLH-UHFFFAOYSA-N 0 0 348.380 3.029 50 5 EGBARN O=[N+]([O-])c1cccc(-c2nn3c(nnc3-c3cccs3)s2)c1 ZINC000005350589 210447943 /nfs/dbraw/zinc/44/79/43/210447943.db2.gz HXZGLIPRMMGKLB-UHFFFAOYSA-N 0 0 329.366 3.490 50 5 EGBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1O ZINC000005077587 210384310 /nfs/dbraw/zinc/38/43/10/210384310.db2.gz NZEHNWSBBPABMV-UHFFFAOYSA-N 0 0 337.129 3.315 50 5 EGBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCCCC1 ZINC000005067368 210382129 /nfs/dbraw/zinc/38/21/29/210382129.db2.gz PVURNTMATCDOQQ-UHFFFAOYSA-N 0 0 335.404 3.058 50 5 EGBARN CC(C)CCNc1nc(N)c([N+](=O)[O-])c(NCc2ccccc2)n1 ZINC000005067526 210381158 /nfs/dbraw/zinc/38/11/58/210381158.db2.gz DSTSJXCDDNZHOW-UHFFFAOYSA-N 0 0 330.392 3.037 50 5 EGBARN COc1cc(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000004981218 210348470 /nfs/dbraw/zinc/34/84/70/210348470.db2.gz OUMKNEGTZWPCGL-UHFFFAOYSA-N 0 0 348.355 3.241 50 5 EGBARN CCOC(=O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000004975468 210344846 /nfs/dbraw/zinc/34/48/46/210344846.db2.gz HFLHFUBNYVRCIQ-HNNXBMFYSA-N 0 0 334.372 3.293 50 5 EGBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@]1(C)c1cccs1 ZINC000004761163 210271745 /nfs/dbraw/zinc/27/17/45/210271745.db2.gz PDPNRXUSOQTSDP-HNNXBMFYSA-N 0 0 331.353 3.070 50 5 EGBARN O=[N+]([O-])c1ccc2c(c1)[C@@H](N1CCOCC1)/C(=C/c1ccccc1)O2 ZINC000023485149 285143997 /nfs/dbraw/zinc/14/39/97/285143997.db2.gz XQVIZLRGNRAZBX-XLXASQRYSA-N 0 0 338.363 3.402 50 5 EGBARN CC(C)Cc1nnc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000000465366 258048486 /nfs/dbraw/zinc/04/84/86/258048486.db2.gz ASWGTBFNKRXEAQ-BQYQJAHWSA-N 0 0 332.385 3.297 50 5 EGBARN O=C1O[C@@H](C(=CNc2ccc([N+](=O)[O-])cc2)[N+](=O)[O-])c2ccccc21 ZINC000100472743 258068805 /nfs/dbraw/zinc/06/88/05/258068805.db2.gz OSBTUDPNUNQBFZ-AAWPKVBNSA-N 0 0 341.279 3.037 50 5 EGBARN CC(=O)c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000055031419 132192927 /nfs/dbraw/zinc/19/29/27/132192927.db2.gz XIESRYMJOUJYFR-UHFFFAOYSA-N 0 0 339.395 3.120 50 5 EGBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)o1 ZINC000004959375 135668096 /nfs/dbraw/zinc/66/80/96/135668096.db2.gz KIEJRAWBFORARR-UHFFFAOYSA-N 0 0 349.774 3.112 50 5 EGBARN COc1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3C(=O)N2C2CC2)cc1 ZINC000096344976 286380003 /nfs/dbraw/zinc/38/00/03/286380003.db2.gz ICPQGHLFSQPEKV-KRWDZBQOSA-N 0 0 339.351 3.332 50 5 EGBARN COC(=O)c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O ZINC000006624544 277425035 /nfs/dbraw/zinc/42/50/35/277425035.db2.gz KAHZNTHIYZOINF-UHFFFAOYSA-N 0 0 328.327 3.379 50 5 biogenic EGBARN COc1ccc(-c2noc(-c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 ZINC000000199786 452533195 /nfs/dbraw/zinc/53/31/95/452533195.db2.gz JNWHSSYBOWZEKR-UHFFFAOYSA-N 0 0 327.296 3.329 50 5 EGBARN Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000000356513 452570229 /nfs/dbraw/zinc/57/02/29/452570229.db2.gz BOYWSLGJUQJYKM-UHFFFAOYSA-N 0 0 335.747 3.278 50 5 EGBARN COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCC2 ZINC000000473688 452602638 /nfs/dbraw/zinc/60/26/38/452602638.db2.gz SVBMRNITRGABIT-UHFFFAOYSA-N 0 0 346.364 3.184 50 5 EGBARN CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000534018 452616448 /nfs/dbraw/zinc/61/64/48/452616448.db2.gz INUURQGGSILBBF-SGWGQVFISA-N 0 0 349.390 3.232 50 5 EGBARN O=C(NCC1(c2ccccc2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000608634 452629739 /nfs/dbraw/zinc/62/97/39/452629739.db2.gz WWPTVZXTXDHVEA-UHFFFAOYSA-N 0 0 340.379 3.073 50 5 EGBARN Cc1ccc(-n2nnnc2SCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000000619997 452632626 /nfs/dbraw/zinc/63/26/26/452632626.db2.gz WFNNYNLUJGYMGV-UHFFFAOYSA-N 0 0 341.396 3.480 50 5 EGBARN CCOc1ccc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000001429838 452664343 /nfs/dbraw/zinc/66/43/43/452664343.db2.gz JUMMTNNVZZLUPP-UHFFFAOYSA-N 0 0 346.387 3.226 50 5 EGBARN Cc1nn(COc2ccc(Br)cc2)c(C)c1[N+](=O)[O-] ZINC000002552511 452704975 /nfs/dbraw/zinc/70/49/75/452704975.db2.gz APIQKCZBQVFNBF-UHFFFAOYSA-N 0 0 326.150 3.207 50 5 EGBARN O=C(NCCCCc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002742169 452719167 /nfs/dbraw/zinc/71/91/67/452719167.db2.gz PWVYHHUGDGAXRU-UHFFFAOYSA-N 0 0 343.339 3.256 50 5 EGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000002764456 452720805 /nfs/dbraw/zinc/72/08/05/452720805.db2.gz DIZLVXIUHJBOJF-LBPRGKRZSA-N 0 0 330.340 3.318 50 5 EGBARN O=C(NCCNc1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004708891 452814328 /nfs/dbraw/zinc/81/43/28/452814328.db2.gz YRENQORUVVOKRN-UHFFFAOYSA-N 0 0 343.427 3.339 50 5 EGBARN COc1cccc2c(=O)c3c(O)cc(O[C@H](C)C(C)=O)cc3oc12 ZINC000008489503 453209094 /nfs/dbraw/zinc/20/90/94/453209094.db2.gz WFDOBTGMMVTVRH-SNVBAGLBSA-N 0 0 328.320 3.017 50 5 biogenic EGBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCc2ccccc21 ZINC000017067469 453627577 /nfs/dbraw/zinc/62/75/77/453627577.db2.gz RZKCPULKZZCLTF-UHFFFAOYSA-N 0 0 329.381 3.363 50 5 EGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])s1 ZINC000004078815 210115030 /nfs/dbraw/zinc/11/50/30/210115030.db2.gz UDAXLGTYMGXJIE-ZZXKWVIFSA-N 0 0 349.324 3.225 50 5 EGBARN CCNc1cc(Nc2ccccc2OC)c([N+](=O)[O-])c2nonc21 ZINC000003904312 210089214 /nfs/dbraw/zinc/08/92/14/210089214.db2.gz JKHIMDOLVSIADJ-UHFFFAOYSA-N 0 0 329.316 3.315 50 5 EGBARN O=C(CSc1ccccn1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000002730725 209898067 /nfs/dbraw/zinc/89/80/67/209898067.db2.gz GXBGZSAVGUUVGN-UHFFFAOYSA-N 0 0 346.393 3.330 50 5 EGBARN COc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000104229385 219363506 /nfs/dbraw/zinc/36/35/06/219363506.db2.gz DCHYUBGQYANXJL-UHFFFAOYSA-N 0 0 334.244 3.163 50 5 EGBARN COC(=O)c1cn(C(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc12 ZINC000000447654 209607564 /nfs/dbraw/zinc/60/75/64/209607564.db2.gz TUEBQOIPJJUIDB-UHFFFAOYSA-N 0 0 338.319 3.333 50 5 EGBARN CN(C)c1ccc(-c2cc(=O)c3ccc(N)c([N+](=O)[O-])c3o2)cc1 ZINC000072194258 216068497 /nfs/dbraw/zinc/06/84/97/216068497.db2.gz BNJDGDCGPXBWAQ-UHFFFAOYSA-N 0 0 325.324 3.016 50 5 EGBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccncc1 ZINC000000063170 209396073 /nfs/dbraw/zinc/39/60/73/209396073.db2.gz FKYYBQIVPHKNLB-UHFFFAOYSA-N 0 0 326.337 3.366 50 5 EGBARN C[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000013744797 211630564 /nfs/dbraw/zinc/63/05/64/211630564.db2.gz AVTGOSIWBOWONI-JTQLQIEISA-N 0 0 345.380 3.371 50 5 EGBARN Cc1c(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000008782392 211005938 /nfs/dbraw/zinc/00/59/38/211005938.db2.gz UZNWNQIDAQQOCI-ZDUSSCGKSA-N 0 0 345.399 3.023 50 5 EGBARN C[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 ZINC000007308904 210783305 /nfs/dbraw/zinc/78/33/05/210783305.db2.gz WPPXQZIKDFPWDY-MRVPVSSYSA-N 0 0 346.817 3.349 50 5 EGBARN O=C(Cn1nc(C2CC2)cc1C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000006926960 210745188 /nfs/dbraw/zinc/74/51/88/210745188.db2.gz USXRKPUGHWXFMR-UHFFFAOYSA-N 0 0 336.298 3.245 50 5 EGBARN O=C(CSc1nc2ccccc2[nH]1)OCc1ccc([N+](=O)[O-])cc1 ZINC000006424119 210632815 /nfs/dbraw/zinc/63/28/15/210632815.db2.gz SQGLMEZBYGPHJG-UHFFFAOYSA-N 0 0 343.364 3.307 50 5 EGBARN O=[N+]([O-])c1cc(Br)c(F)cc1I ZINC000065337091 285082068 /nfs/dbraw/zinc/08/20/68/285082068.db2.gz BNZPOZOFBGRDLL-UHFFFAOYSA-N 0 0 345.893 3.101 50 5 EGBARN Cc1ccc(Nc2nc(NCC(C)C)nc(N)c2[N+](=O)[O-])cc1C ZINC000005032507 210368068 /nfs/dbraw/zinc/36/80/68/210368068.db2.gz QBJOXQKTHZXMGW-UHFFFAOYSA-N 0 0 330.392 3.395 50 5 EGBARN O=[N+]([O-])c1nn(Cc2ccc(F)cc2Cl)cc1Br ZINC000004850695 210299168 /nfs/dbraw/zinc/29/91/68/210299168.db2.gz 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O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000000092533 452504215 /nfs/dbraw/zinc/50/42/15/452504215.db2.gz DHOBCXXUSXLUGB-UHFFFAOYSA-N 0 0 340.379 3.073 50 5 EGBARN Cc1ccc(S(=O)(=O)N(c2cccc([N+](=O)[O-])c2)C(F)F)cc1 ZINC000000308014 452558818 /nfs/dbraw/zinc/55/88/18/452558818.db2.gz HPPFTSSXRALKGF-UHFFFAOYSA-N 0 0 342.323 3.321 50 5 EGBARN O=C(Cc1c[nH]c2ccccc12)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001163493 452646737 /nfs/dbraw/zinc/64/67/37/452646737.db2.gz VJLVPGXADBEODI-UHFFFAOYSA-N 0 0 338.319 3.045 50 5 EGBARN COc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1[N+](=O)[O-] ZINC000002375712 452694901 /nfs/dbraw/zinc/69/49/01/452694901.db2.gz IVBXYXRWYHATDM-JYRVWZFOSA-N 0 0 342.282 3.087 50 5 EGBARN O=C(CSc1nnc(-c2ccncc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000002474901 452699661 /nfs/dbraw/zinc/69/96/61/452699661.db2.gz OKPAWUKVLZNBPS-UHFFFAOYSA-N 0 0 342.336 3.015 50 5 EGBARN COc1ccc(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000002746833 452718970 /nfs/dbraw/zinc/71/89/70/452718970.db2.gz 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O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCOc1ccc(Cl)cc1 ZINC000003073508 209960092 /nfs/dbraw/zinc/96/00/92/209960092.db2.gz KLKIDTYDRAKKIT-XCVCLJGOSA-N 0 0 346.770 3.457 50 5 EGBARN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000058332 209394851 /nfs/dbraw/zinc/39/48/51/209394851.db2.gz FPLAUQPIWAEVOZ-UHFFFAOYSA-N 0 0 346.343 3.341 50 5 EGBARN COC(=O)c1cc(C(=O)Nc2cccc(C)c2C)cc([N+](=O)[O-])c1 ZINC000000060816 209394613 /nfs/dbraw/zinc/39/46/13/209394613.db2.gz VMSAPLQHGNAJPT-UHFFFAOYSA-N 0 0 328.324 3.251 50 5 EGBARN CCCCC[C@H](C)NC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023484958 212380106 /nfs/dbraw/zinc/38/01/06/212380106.db2.gz TVKIFRTZNZRKFV-ZDUSSCGKSA-N 0 0 335.404 3.399 50 5 EGBARN O=[N+]([O-])c1cccc(C(=S)N2CCN(Cc3ccccc3)CC2)c1 ZINC000019842167 212075765 /nfs/dbraw/zinc/07/57/65/212075765.db2.gz ZKUNMXVWYUXFNJ-UHFFFAOYSA-N 0 0 341.436 3.088 50 5 EGBARN Nc1nc(Nc2cccc(F)c2)nc(NCc2ccco2)c1[N+](=O)[O-] ZINC000009329319 211069785 /nfs/dbraw/zinc/06/97/85/211069785.db2.gz 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O=[N+]([O-])c1cccc(-c2nc(=S)c3c(n2CCCO)CCCC3)c1 ZINC000001795161 452679297 /nfs/dbraw/zinc/67/92/97/452679297.db2.gz IHKYHJNASXOXTI-UHFFFAOYSA-N 0 0 345.424 3.449 50 5 EGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cnn(Cc2ccccc2)c1 ZINC000002762787 452721083 /nfs/dbraw/zinc/72/10/83/452721083.db2.gz GCLLTDYYXYQNAJ-UHFFFAOYSA-N 0 0 336.351 3.021 50 5 EGBARN COc1ccc(NC=C([C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])cc1 ZINC000003052023 452739640 /nfs/dbraw/zinc/73/96/40/452739640.db2.gz KBIUSTYPTCATIF-AAGJOFLKSA-N 0 0 326.308 3.137 50 5 EGBARN O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000003932159 452787316 /nfs/dbraw/zinc/78/73/16/452787316.db2.gz GVYLCXRTLQJTFX-UHFFFAOYSA-N 0 0 346.770 3.316 50 5 EGBARN C[C@@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)C1 ZINC000004306345 452800204 /nfs/dbraw/zinc/80/02/04/452800204.db2.gz BOLDQOBVMZKWJH-SNVBAGLBSA-N 0 0 346.366 3.086 50 5 EGBARN O=C(CSc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccccc1 ZINC000000454109 1291019935 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Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004535025 210214680 /nfs/dbraw/zinc/21/46/80/210214680.db2.gz DLBVQWVCZHNTQK-UHFFFAOYSA-N 0 0 333.775 3.399 50 5 EGBARN COc1ccc(CNc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000004482104 210199763 /nfs/dbraw/zinc/19/97/63/210199763.db2.gz YJULKECCLQNYTC-UHFFFAOYSA-N 0 0 326.308 3.322 50 5 EGBARN Cn1c2c(cc(F)cc2F)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000100909410 219111361 /nfs/dbraw/zinc/11/13/61/219111361.db2.gz ZNZXBEGMYPXDOD-SDXDJHTJSA-N 0 0 349.318 3.167 50 5 EGBARN Cn1c2ccccc2s/c1=N/C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000004059108 210110383 /nfs/dbraw/zinc/11/03/83/210110383.db2.gz ZXLQSYYBZIEPEE-CILLELMGSA-N 0 0 339.376 3.289 50 5 EGBARN COc1ccc(OCCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004044070 210108015 /nfs/dbraw/zinc/10/80/15/210108015.db2.gz PMNWQDHZVKICMH-UHFFFAOYSA-N 0 0 330.340 3.401 50 5 EGBARN O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)c2ncccc12 ZINC000003880006 210084095 /nfs/dbraw/zinc/08/40/95/210084095.db2.gz 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