smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](Oc1cnnc(=S)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001228642496 806325576 /nfs/dbraw/zinc/32/55/76/806325576.db2.gz PRPQLEJYKPHONL-ZETCQYMHSA-N -1 1 278.293 2.209 20 5 CEBDMM Cc1cccc(C(=O)[N-]c2nc(C3CC3)no2)c1[N+](=O)[O-] ZINC001273389097 811009394 /nfs/dbraw/zinc/00/93/94/811009394.db2.gz ICHADNVQKMZWSA-UHFFFAOYSA-N -1 1 288.263 2.416 20 5 CEBDMM CC(C)c1oncc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001177843543 816632494 /nfs/dbraw/zinc/63/24/94/816632494.db2.gz FPRJAGVETOUECE-UHFFFAOYSA-N -1 1 264.241 2.287 20 5 CEBDMM CCc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC000590397327 345133439 /nfs/dbraw/zinc/13/34/39/345133439.db2.gz APKJEXPADTVULX-UHFFFAOYSA-N -1 1 290.279 2.147 20 5 CEBDMM Cc1cccc2c1CCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000604500889 347417694 /nfs/dbraw/zinc/41/76/94/347417694.db2.gz JFNMJZWCACQRKG-UHFFFAOYSA-N -1 1 271.276 2.434 20 5 CEBDMM O=C([O-])C[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610896932 347721269 /nfs/dbraw/zinc/72/12/69/347721269.db2.gz DZUPSGCOZLBTBF-JTQLQIEISA-N -1 1 296.298 2.421 20 5 CEBDMM Cn1cc([N-]c2ncc([N+](=O)[O-])s2)c(C2CC2)n1 ZINC000292279652 198228345 /nfs/dbraw/zinc/22/83/45/198228345.db2.gz JLUCIWJJLLPKKM-UHFFFAOYSA-N -1 1 265.298 2.406 20 5 CEBDMM CN1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000343282103 367740773 /nfs/dbraw/zinc/74/07/73/367740773.db2.gz HZXBVCLJYUCSTE-UHFFFAOYSA-N -1 1 286.291 2.168 20 5 CEBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC(C)(C)C1 ZINC000358101806 370906207 /nfs/dbraw/zinc/90/62/07/370906207.db2.gz YFPRQFOJDDSJKV-SNVBAGLBSA-N -1 1 293.323 2.346 20 5 CEBDMM COc1ccc2c(c1)CCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000346712126 368783517 /nfs/dbraw/zinc/78/35/17/368783517.db2.gz ZYBNJCBGJPHBBZ-UHFFFAOYSA-N -1 1 287.275 2.134 20 5 CEBDMM C[C@@H]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000354524565 370398181 /nfs/dbraw/zinc/39/81/81/370398181.db2.gz XHCFSKTYIVFOMQ-ZJUUUORDSA-N -1 1 293.323 2.252 20 5 CEBDMM CCc1onc(C)c1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000270391648 372767858 /nfs/dbraw/zinc/76/78/58/372767858.db2.gz CLDQNYHMGBQCQI-UHFFFAOYSA-N -1 1 264.241 2.034 20 5 CEBDMM CC(C)C[C@H](N)c1noc(-c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000414617735 375879859 /nfs/dbraw/zinc/87/98/59/375879859.db2.gz LQVIRTXSMPXVJF-NSHDSACASA-N -1 1 292.295 2.396 20 5 CEBDMM CO[C@]1(C)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330455214 377141761 /nfs/dbraw/zinc/14/17/61/377141761.db2.gz MXYOFUYILKAGKX-CQSZACIVSA-N -1 1 280.324 2.301 20 5 CEBDMM O=C(Nc1nc2cc(F)ccc2[nH]1)c1ccc([N+](=O)[O-])[n-]1 ZINC000428031753 395132736 /nfs/dbraw/zinc/13/27/36/395132736.db2.gz HSVLDTOHUWPLIW-UHFFFAOYSA-N -1 1 289.226 2.191 20 5 CEBDMM CC(C)c1[nH]nc(C(=O)Nc2ccccc2[O-])c1[N+](=O)[O-] ZINC000436750076 395152022 /nfs/dbraw/zinc/15/20/22/395152022.db2.gz MFKIKIGQJKBMGE-UHFFFAOYSA-N -1 1 290.279 2.399 20 5 CEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(CCCC2)C1 ZINC000193649024 153236497 /nfs/dbraw/zinc/23/64/97/153236497.db2.gz WMUSCDIHTPGQCS-UHFFFAOYSA-N -1 1 291.307 2.102 20 5 CEBDMM Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000345928795 154287178 /nfs/dbraw/zinc/28/71/78/154287178.db2.gz FCGYYQMUVPEBTF-UHFFFAOYSA-N -1 1 273.248 2.256 20 5 CEBDMM COc1cccc(C(=O)[N-]c2nnc(C)s2)c1[N+](=O)[O-] ZINC000193823625 280189753 /nfs/dbraw/zinc/18/97/53/280189753.db2.gz MSJJQELEHAPXRY-UHFFFAOYSA-N -1 1 294.292 2.016 20 5 CEBDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ncccc1[O-] ZINC000255690980 280512693 /nfs/dbraw/zinc/51/26/93/280512693.db2.gz YAHRPZHOAIYXON-YVMONPNESA-N -1 1 285.259 2.347 20 5 CEBDMM C[C@H](N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000571506025 314094059 /nfs/dbraw/zinc/09/40/59/314094059.db2.gz XXFKSUCDFDCOIH-QMMMGPOBSA-N -1 1 281.312 2.202 20 5 CEBDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000396960999 329318655 /nfs/dbraw/zinc/31/86/55/329318655.db2.gz BSXHZGYYCVRRMW-KOLCDFICSA-N -1 1 296.298 2.419 20 5 CEBDMM C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739187090 602765599 /nfs/dbraw/zinc/76/55/99/602765599.db2.gz HHOJLQYKAMYSFM-JQWIXIFHSA-N -1 1 293.323 2.073 20 5 CEBDMM CN(C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000828230499 604088923 /nfs/dbraw/zinc/08/89/23/604088923.db2.gz QIKFWDRYQGGYMK-CYBMUJFWSA-N -1 1 293.323 2.169 20 5 CEBDMM CC(C)(CCC(=O)Nc1c([O-])cccc1F)[N+](=O)[O-] ZINC000825873054 635724371 /nfs/dbraw/zinc/72/43/71/635724371.db2.gz FGHBDFQADMWPNH-UHFFFAOYSA-N -1 1 270.260 2.305 20 5 CEBDMM O=C([N-]c1cnoc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149217328 636828359 /nfs/dbraw/zinc/82/83/59/636828359.db2.gz NZEURMVHQKZYFF-UHFFFAOYSA-N -1 1 267.628 2.489 20 5 CEBDMM C[C@H]1C[C@@H]1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000859596933 645533634 /nfs/dbraw/zinc/53/36/34/645533634.db2.gz AUAHHECCXYRTSW-IONNQARKSA-N -1 1 251.238 2.113 20 5 CEBDMM CC(C)(O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000768269641 646102127 /nfs/dbraw/zinc/10/21/27/646102127.db2.gz ZULUHELMARFWNS-UHFFFAOYSA-N -1 1 289.291 2.403 20 5 CEBDMM CC(=O)CCCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071815 647385616 /nfs/dbraw/zinc/38/56/16/647385616.db2.gz LNWAYTCULYGQMF-UHFFFAOYSA-N -1 1 281.264 2.217 20 5 CEBDMM CSCCO[N-]C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000794189153 648837429 /nfs/dbraw/zinc/83/74/29/648837429.db2.gz WEHFIFDFDVDRFR-VIFPVBQESA-N -1 1 284.337 2.109 20 5 CEBDMM Cc1nnsc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800149068 652663962 /nfs/dbraw/zinc/66/39/62/652663962.db2.gz GNEKSAMVWSVVJJ-UHFFFAOYSA-N -1 1 296.283 2.455 20 5 CEBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1nccs1 ZINC001225664955 805106694 /nfs/dbraw/zinc/10/66/94/805106694.db2.gz VIYDCECGSJMXFV-LURJTMIESA-N -1 1 267.266 2.292 20 5 CEBDMM CC(C)(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000378 343705808 /nfs/dbraw/zinc/70/58/08/343705808.db2.gz OBJSRMPSSINTAH-UHFFFAOYSA-N -1 1 292.382 2.371 20 5 CEBDMM O=C(Nc1ccc2nc[nH]c2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351642150 219161314 /nfs/dbraw/zinc/16/13/14/219161314.db2.gz TYLYUJLVHQTUCE-UHFFFAOYSA-N -1 1 298.258 2.429 20 5 CEBDMM CCC[C@@]1(CO)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339202175 215010872 /nfs/dbraw/zinc/01/08/72/215010872.db2.gz HOQHGWLIFDCASG-OAHLLOKOSA-N -1 1 294.351 2.285 20 5 CEBDMM CC(C)CC1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000598404073 346346531 /nfs/dbraw/zinc/34/65/31/346346531.db2.gz RWLJYAUYUFZPHG-UHFFFAOYSA-N -1 1 279.296 2.004 20 5 CEBDMM O=C(NCCCC1CCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598769736 346416681 /nfs/dbraw/zinc/41/66/81/346416681.db2.gz QWJXENITZPRWHP-UHFFFAOYSA-N -1 1 279.296 2.006 20 5 CEBDMM O=C(NC[C@H]1CCCC12CC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600803567 346693716 /nfs/dbraw/zinc/69/37/16/346693716.db2.gz KPZATQQGIPHBLY-SNVBAGLBSA-N -1 1 291.307 2.006 20 5 CEBDMM Cc1ccc(C(=O)Nc2ccncc2[O-])cc1[N+](=O)[O-] ZINC000109890112 186277828 /nfs/dbraw/zinc/27/78/28/186277828.db2.gz NSUPEYXZRHCNSH-UHFFFAOYSA-N -1 1 273.248 2.256 20 5 CEBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCc2cc(F)ccc21 ZINC000335764320 364948410 /nfs/dbraw/zinc/94/84/10/364948410.db2.gz FJKRVJMREPAYSG-UHFFFAOYSA-N -1 1 275.239 2.265 20 5 CEBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340430540 366882248 /nfs/dbraw/zinc/88/22/48/366882248.db2.gz YHVJZTNQHPVHPD-UHFFFAOYSA-N -1 1 261.237 2.184 20 5 CEBDMM CC1(C)CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000162799397 367192742 /nfs/dbraw/zinc/19/27/42/367192742.db2.gz ZJQVITOFTJYRBN-MRVPVSSYSA-N -1 1 279.296 2.004 20 5 CEBDMM CCC[C@@H]1SCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185664699 368838952 /nfs/dbraw/zinc/83/89/52/368838952.db2.gz AELKMJKJGQGTOE-JTQLQIEISA-N -1 1 297.336 2.011 20 5 CEBDMM Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccn1 ZINC000350554774 369546543 /nfs/dbraw/zinc/54/65/43/369546543.db2.gz QHCIKSPVDAFXSM-UHFFFAOYSA-N -1 1 271.236 2.343 20 5 CEBDMM O=C([N-]Cc1ccccc1[N+](=O)[O-])C(F)(F)C(F)F ZINC000226611049 370348584 /nfs/dbraw/zinc/34/85/84/370348584.db2.gz JGOXVRQMNIWEEF-UHFFFAOYSA-N -1 1 280.177 2.111 20 5 CEBDMM C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330444421 377135027 /nfs/dbraw/zinc/13/50/27/377135027.db2.gz CFWASKKAZJSOFM-HFAKWTLXSA-N -1 1 294.351 2.282 20 5 CEBDMM C[C@@H]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000189464091 395328559 /nfs/dbraw/zinc/32/85/59/395328559.db2.gz XYFULSRUSNZTNT-KOLCDFICSA-N -1 1 293.323 2.394 20 5 CEBDMM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000534286833 298171607 /nfs/dbraw/zinc/17/16/07/298171607.db2.gz ZWMHMQVENHKCRG-UHFFFAOYSA-N -1 1 290.366 2.123 20 5 CEBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000445164461 281666301 /nfs/dbraw/zinc/66/63/01/281666301.db2.gz WRZPFKWRTDMDOK-SECBINFHSA-N -1 1 293.323 2.204 20 5 CEBDMM C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000235345398 601526278 /nfs/dbraw/zinc/52/62/78/601526278.db2.gz JBGBISMBBHOLDL-LDYMZIIASA-N -1 1 298.726 2.401 20 5 CEBDMM Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)c2F)s1 ZINC000235969369 625804003 /nfs/dbraw/zinc/80/40/03/625804003.db2.gz VRXZVRSRGSRWKF-UHFFFAOYSA-N -1 1 296.283 2.455 20 5 CEBDMM CC(C)(CCC(=O)Nc1cc([O-])c(F)cc1F)[N+](=O)[O-] ZINC000909987474 637825030 /nfs/dbraw/zinc/82/50/30/637825030.db2.gz VXSUJLNAMGYFSA-UHFFFAOYSA-N -1 1 288.250 2.444 20 5 CEBDMM CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101568081 637893084 /nfs/dbraw/zinc/89/30/84/637893084.db2.gz QSERIRGVRIVSQO-UHFFFAOYSA-N -1 1 292.744 2.327 20 5 CEBDMM CC(C)(CCc1noc(-c2ccc(N)cc2[O-])n1)[N+](=O)[O-] ZINC000843235084 640362336 /nfs/dbraw/zinc/36/23/36/640362336.db2.gz YXUOKDHIHFXQPO-UHFFFAOYSA-N -1 1 292.295 2.012 20 5 CEBDMM CC(C)CC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780067543 647384279 /nfs/dbraw/zinc/38/42/79/647384279.db2.gz HPXPBAWEOIYJOU-UHFFFAOYSA-N -1 1 281.264 2.072 20 5 CEBDMM Cc1ncc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC000780073967 647385445 /nfs/dbraw/zinc/38/54/45/647385445.db2.gz ADMGGRCOEBPXKH-UHFFFAOYSA-N -1 1 294.288 2.422 20 5 CEBDMM COC(=O)c1cnc(S/C=C/c2ccc([N+](=O)[O-])o2)[n-]1 ZINC000789966167 648363812 /nfs/dbraw/zinc/36/38/12/648363812.db2.gz FNUQTCKQWKFWFI-SNAWJCMRSA-N -1 1 295.276 2.461 20 5 CEBDMM COC(=O)c1c[n-]c(S/C=C/c2ccc([N+](=O)[O-])o2)n1 ZINC000789966167 648363814 /nfs/dbraw/zinc/36/38/14/648363814.db2.gz FNUQTCKQWKFWFI-SNAWJCMRSA-N -1 1 295.276 2.461 20 5 CEBDMM Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)c2F)n1 ZINC000235973562 803527564 /nfs/dbraw/zinc/52/75/64/803527564.db2.gz WKEKBWMUADYNGU-UHFFFAOYSA-N -1 1 296.283 2.455 20 5 CEBDMM C[C@H](NC(=O)c1ccc([O-])cn1)c1ccc([N+](=O)[O-])cc1 ZINC001177749648 816614151 /nfs/dbraw/zinc/61/41/51/816614151.db2.gz CMUMTHHYMIXXKB-VIFPVBQESA-N -1 1 287.275 2.186 20 5 CEBDMM C[C@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000351477498 219101687 /nfs/dbraw/zinc/10/16/87/219101687.db2.gz SNAOVSQLHJCZCR-VHSXEESVSA-N -1 1 293.323 2.252 20 5 CEBDMM C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000592397732 345350109 /nfs/dbraw/zinc/35/01/09/345350109.db2.gz RYMDBEJHBYMMDG-NXEZZACHSA-N -1 1 296.298 2.277 20 5 CEBDMM CC(C)CCc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n[nH]1 ZINC000597842968 346237623 /nfs/dbraw/zinc/23/76/23/346237623.db2.gz SFHZEKYMBWSKPM-UHFFFAOYSA-N -1 1 291.311 2.487 20 5 CEBDMM C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000600706060 346674305 /nfs/dbraw/zinc/67/43/05/346674305.db2.gz ZFWZHXGMBGNGNP-UWVGGRQHSA-N -1 1 296.298 2.277 20 5 CEBDMM CC[C@@H](C)CN(CC)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000131144686 366024550 /nfs/dbraw/zinc/02/45/50/366024550.db2.gz WSCMPHVIBUSXAQ-SECBINFHSA-N -1 1 281.312 2.204 20 5 CEBDMM Cc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000340329197 215542343 /nfs/dbraw/zinc/54/23/43/215542343.db2.gz LAVHWVCQDUXQSU-UHFFFAOYSA-N -1 1 261.237 2.189 20 5 CEBDMM CN(CC[C@@H]1CCCO1)Cc1cc([O-])ccc1[N+](=O)[O-] 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/nfs/dbraw/zinc/01/71/30/371017130.db2.gz ZZFHBACSTWSLGG-UHFFFAOYSA-N -1 1 293.323 2.107 20 5 CEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC[C@H]1C1(O)CC1 ZINC000556780610 376482857 /nfs/dbraw/zinc/48/28/57/376482857.db2.gz XXPLVFXMAIPGRN-AWEZNQCLSA-N -1 1 292.335 2.180 20 5 CEBDMM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000330461094 377143716 /nfs/dbraw/zinc/14/37/16/377143716.db2.gz WOALZPZVTNPINM-XHDPSFHLSA-N -1 1 294.351 2.283 20 5 CEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(CCCO)CC1 ZINC000330461494 377144109 /nfs/dbraw/zinc/14/41/09/377144109.db2.gz XELYIUZGPLCORK-UHFFFAOYSA-N -1 1 294.351 2.285 20 5 CEBDMM CO[C@](C)(c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C1CC1 ZINC000350410178 219016495 /nfs/dbraw/zinc/01/64/95/219016495.db2.gz ARIXEOHYCZLRTF-LBPRGKRZSA-N -1 1 278.268 2.245 20 5 CEBDMM Cc1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000434364987 395293563 /nfs/dbraw/zinc/29/35/63/395293563.db2.gz YQLJWRRJQAIUOF-UHFFFAOYSA-N -1 1 266.282 2.249 20 5 CEBDMM CC(C)CN(CC(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188483409 153056807 /nfs/dbraw/zinc/05/68/07/153056807.db2.gz AQNQTNSFOJHQRZ-UHFFFAOYSA-N -1 1 295.339 2.450 20 5 CEBDMM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cncc([O-])c1 ZINC000229564863 153377513 /nfs/dbraw/zinc/37/75/13/153377513.db2.gz RALBCPXMWWZWMM-UHFFFAOYSA-N -1 1 277.211 2.087 20 5 CEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCC2(CCC2)C1 ZINC000366224086 280168182 /nfs/dbraw/zinc/16/81/82/280168182.db2.gz NZEDZSZYGIRVQY-UHFFFAOYSA-N -1 1 291.307 2.102 20 5 CEBDMM CC1(C)CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445138426 281663886 /nfs/dbraw/zinc/66/38/86/281663886.db2.gz PSJFAAJTFBGRFR-VIFPVBQESA-N -1 1 279.296 2.004 20 5 CEBDMM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000172665560 312679097 /nfs/dbraw/zinc/67/90/97/312679097.db2.gz ZQOSLOJWJJGCGY-QMMMGPOBSA-N -1 1 292.382 2.227 20 5 CEBDMM CN(C(=O)[O-])C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000737937948 574848300 /nfs/dbraw/zinc/84/83/00/574848300.db2.gz 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807410052 /nfs/dbraw/zinc/41/00/52/807410052.db2.gz LVGVEUZUMBXHBA-ZCFIWIBFSA-N -1 1 283.671 2.292 20 5 CEBDMM Cc1cccc([N+](=O)[O-])c1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170233178 812347220 /nfs/dbraw/zinc/34/72/20/812347220.db2.gz LDQODYCTRDHZLH-UHFFFAOYSA-N -1 1 286.251 2.019 20 5 CEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@](O)(C2CC2)C1 ZINC000595752355 345866425 /nfs/dbraw/zinc/86/64/25/345866425.db2.gz XSFJIRWTWOGHRQ-OAHLLOKOSA-N -1 1 292.335 2.037 20 5 CEBDMM CCC(O)(CC)CN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000599673671 346560305 /nfs/dbraw/zinc/56/03/05/346560305.db2.gz UHEJRPRVQNVMTM-UHFFFAOYSA-N -1 1 282.340 2.283 20 5 CEBDMM O=C(Nc1c(O)cccc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000611294908 347764172 /nfs/dbraw/zinc/76/41/72/347764172.db2.gz ZEZHPGHPKQSHTJ-UHFFFAOYSA-N -1 1 265.200 2.020 20 5 CEBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc([O-])c(F)c1 ZINC000613494467 348057704 /nfs/dbraw/zinc/05/77/04/348057704.db2.gz XEEZPENTLAVXSN-UHFFFAOYSA-N -1 1 290.250 2.370 20 5 CEBDMM O=C([O-])[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000178901181 189153436 /nfs/dbraw/zinc/15/34/36/189153436.db2.gz DDINGZAVKKKQQQ-MRVPVSSYSA-N -1 1 284.699 2.155 20 5 CEBDMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000356636764 370779186 /nfs/dbraw/zinc/77/91/86/370779186.db2.gz VTAGLKMYXNEMID-OPRDCNLKSA-N -1 1 293.323 2.202 20 5 CEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC=CCC2)s1 ZINC000172465406 367751780 /nfs/dbraw/zinc/75/17/80/367751780.db2.gz XKIMMGYCBYFZOS-MRVPVSSYSA-N -1 1 288.350 2.043 20 5 CEBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn2ccnc12 ZINC000355455978 370559227 /nfs/dbraw/zinc/55/92/27/370559227.db2.gz ZRRKAFVNHJMYTA-UHFFFAOYSA-N -1 1 285.263 2.131 20 5 CEBDMM C[C@@H]1CC2(CCC2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000372893719 374217557 /nfs/dbraw/zinc/21/75/57/374217557.db2.gz XSJYFMFOPZUAIJ-SECBINFHSA-N -1 1 291.307 2.100 20 5 CEBDMM CC(C)(C)c1nsc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000264159166 190092988 /nfs/dbraw/zinc/09/29/88/190092988.db2.gz IBALRNDIYAWIPI-UHFFFAOYSA-N -1 1 295.324 2.324 20 5 CEBDMM C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330444424 377135381 /nfs/dbraw/zinc/13/53/81/377135381.db2.gz CFWASKKAZJSOFM-ZETOZRRWSA-N -1 1 294.351 2.282 20 5 CEBDMM O=C(Nc1ccc2nc[nH]c2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436955825 395167046 /nfs/dbraw/zinc/16/70/46/395167046.db2.gz IUMGIVVWHLFONU-UHFFFAOYSA-N -1 1 298.258 2.429 20 5 CEBDMM CCCCn1ncc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000448316372 261109452 /nfs/dbraw/zinc/10/94/52/261109452.db2.gz SPPCPSFOCWVCIV-UHFFFAOYSA-N -1 1 291.311 2.480 20 5 CEBDMM C[C@H]1COCC[C@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000350609516 312934756 /nfs/dbraw/zinc/93/47/56/312934756.db2.gz KAMBWDRKSWLNNJ-JGVFFNPUSA-N -1 1 278.268 2.113 20 5 CEBDMM C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C(=O)[O-] ZINC000573323762 314152694 /nfs/dbraw/zinc/15/26/94/314152694.db2.gz XTXFAGGQUSMZDK-JOYOIKCWSA-N -1 1 296.298 2.277 20 5 CEBDMM Cc1c(C=C2SC(=O)[N-]C2=O)cccc1[N+](=O)[O-] ZINC000874929815 649871432 /nfs/dbraw/zinc/87/14/32/649871432.db2.gz QPLNVBNSTMNRHR-UITAMQMPSA-N -1 1 264.262 2.227 20 5 CEBDMM CN(C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739665628 574930281 /nfs/dbraw/zinc/93/02/81/574930281.db2.gz MIFSZWWYMCLSIO-LBPRGKRZSA-N -1 1 293.323 2.027 20 5 CEBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(NC(=O)[O-])CC1 ZINC000825638347 603547772 /nfs/dbraw/zinc/54/77/72/603547772.db2.gz MUKLNBFBODJDTJ-JTQLQIEISA-N -1 1 293.323 2.388 20 5 CEBDMM CN(Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)[O-])CC1 ZINC000828417122 603985372 /nfs/dbraw/zinc/98/53/72/603985372.db2.gz VYSFADCLQOOVIC-UHFFFAOYSA-N -1 1 299.352 2.231 20 5 CEBDMM O=c1cc(CC2CC2)[n-]n1-c1cccc([N+](=O)[O-])c1 ZINC000899346275 632792847 /nfs/dbraw/zinc/79/28/47/632792847.db2.gz IAJOBXHJOSNUMW-UHFFFAOYSA-N -1 1 259.265 2.488 20 5 CEBDMM CC(=O)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000828938935 636729732 /nfs/dbraw/zinc/72/97/32/636729732.db2.gz QRMMYBFZECMOIZ-LBPRGKRZSA-N -1 1 281.264 2.071 20 5 CEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCCCCC1 ZINC000102707700 639048882 /nfs/dbraw/zinc/04/88/82/639048882.db2.gz LSMSJSQALXTRNZ-UHFFFAOYSA-N -1 1 279.296 2.102 20 5 CEBDMM CC(C)(CCC(=O)Nc1cccc(F)c1[O-])[N+](=O)[O-] ZINC000863008406 646615601 /nfs/dbraw/zinc/61/56/01/646615601.db2.gz QLZZEVBZSLVBIB-UHFFFAOYSA-N -1 1 270.260 2.305 20 5 CEBDMM C[C@H]1CC[C@@H](COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)O1 ZINC000789072248 648254224 /nfs/dbraw/zinc/25/42/24/648254224.db2.gz RRZWJZGAKMAHAZ-UFBFGSQYSA-N -1 1 281.264 2.025 20 5 CEBDMM COC(=O)[C@@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229396109 806479628 /nfs/dbraw/zinc/47/96/28/806479628.db2.gz PYHAHCFIFRANDV-SCZZXKLOSA-N -1 1 281.264 2.021 20 5 CEBDMM NCc1nccnc1[N-]c1ccc2cnccc2c1[N+](=O)[O-] ZINC001171447811 815129872 /nfs/dbraw/zinc/12/98/72/815129872.db2.gz OQDWJSKXFIBHPR-UHFFFAOYSA-N -1 1 296.290 2.135 20 5 CEBDMM Cc1cc([O-])c(O[C@H]2CCOC[C@H]2F)cc1[N+](=O)[O-] ZINC001229755128 809070307 /nfs/dbraw/zinc/07/03/07/809070307.db2.gz VXAQBOLPMQFFFM-KCJUWKMLSA-N -1 1 271.244 2.115 20 5 CEBDMM Cn1cnc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC001178828836 816800158 /nfs/dbraw/zinc/80/01/58/816800158.db2.gz LFRPUURLJQEGPI-UHFFFAOYSA-N -1 1 285.263 2.062 20 5 CEBDMM C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000592397733 345350106 /nfs/dbraw/zinc/35/01/06/345350106.db2.gz RYMDBEJHBYMMDG-UWVGGRQHSA-N -1 1 296.298 2.277 20 5 CEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595279475 345753316 /nfs/dbraw/zinc/75/33/16/345753316.db2.gz PXZDTNYSNBNQIT-MWLCHTKSSA-N -1 1 276.292 2.135 20 5 CEBDMM CCO[C@@H](CC)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000596615250 346065260 /nfs/dbraw/zinc/06/52/60/346065260.db2.gz CNRXAKBATPBDMP-QMMMGPOBSA-N -1 1 266.257 2.461 20 5 CEBDMM C[C@H]1C[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n[nH]1 ZINC000597795321 346232632 /nfs/dbraw/zinc/23/26/32/346232632.db2.gz HSHFWXJIHBJXLT-NKWVEPMBSA-N -1 1 275.268 2.022 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CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000175695418 527985440 /nfs/dbraw/zinc/98/54/40/527985440.db2.gz HSIXVGSADXDFMW-UHFFFAOYSA-N -1 1 290.366 2.125 20 5 CEBDMM CC(C)[C@H](C)Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820020656 599099136 /nfs/dbraw/zinc/09/91/36/599099136.db2.gz JKDNCTCNVLYNTG-ZETCQYMHSA-N -1 1 294.340 2.307 20 5 CEBDMM C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000093633549 601526544 /nfs/dbraw/zinc/52/65/44/601526544.db2.gz JBGBISMBBHOLDL-KWQFWETISA-N -1 1 298.726 2.401 20 5 CEBDMM O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964232 605208100 /nfs/dbraw/zinc/20/81/00/605208100.db2.gz HSOYPZMLBBCNFB-LLVKDONJSA-N -1 1 284.699 2.297 20 5 CEBDMM O=C([O-])[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964232 605208104 /nfs/dbraw/zinc/20/81/04/605208104.db2.gz HSOYPZMLBBCNFB-LLVKDONJSA-N -1 1 284.699 2.297 20 5 CEBDMM CC[C@@H](C)[C@@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820859342 606711759 /nfs/dbraw/zinc/71/17/59/606711759.db2.gz DGEMJRMQFBGXNQ-HTQZYQBOSA-N -1 1 291.315 2.016 20 5 CEBDMM CC[C@@H](C)[C@@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820859342 606711760 /nfs/dbraw/zinc/71/17/60/606711760.db2.gz DGEMJRMQFBGXNQ-HTQZYQBOSA-N -1 1 291.315 2.016 20 5 CEBDMM CC(C)CCSc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820081823 606712807 /nfs/dbraw/zinc/71/28/07/606712807.db2.gz XHVYDPLUWBMHMS-UHFFFAOYSA-N -1 1 294.340 2.308 20 5 CEBDMM CC(C)CCSc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820081823 606712808 /nfs/dbraw/zinc/71/28/08/606712808.db2.gz XHVYDPLUWBMHMS-UHFFFAOYSA-N -1 1 294.340 2.308 20 5 CEBDMM CCCCN(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821060624 634617790 /nfs/dbraw/zinc/61/77/90/634617790.db2.gz FIUXEJSVUTZOPZ-UHFFFAOYSA-N -1 1 276.300 2.011 20 5 CEBDMM C[C@@H](C(=O)[N-]OC/C=C/Cl)c1cccc([N+](=O)[O-])c1 ZINC000812399778 632523117 /nfs/dbraw/zinc/52/31/17/632523117.db2.gz BGGMCWLDJBCHQA-BSPAPZMXSA-N -1 1 284.699 2.499 20 5 CEBDMM CC(F)(F)C(=O)[N-]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000911475249 638297852 /nfs/dbraw/zinc/29/78/52/638297852.db2.gz SPDMIEOIVGSSSV-UHFFFAOYSA-N -1 1 280.177 2.144 20 5 CEBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cccc1[N+](=O)[O-] ZINC000917905623 640924726 /nfs/dbraw/zinc/92/47/26/640924726.db2.gz WHYNBAHCPXWFCG-UHFFFAOYSA-N -1 1 290.235 2.392 20 5 CEBDMM CCc1[n-]n(-c2ccc([N+](=O)[O-])cc2OC)c(=O)c1F ZINC000871949487 649223191 /nfs/dbraw/zinc/22/31/91/649223191.db2.gz BYIXCWLRRHNZLU-LLVKDONJSA-N -1 1 281.243 2.054 20 5 CEBDMM Nc1ncc(Cl)nc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393959 802679442 /nfs/dbraw/zinc/67/94/42/802679442.db2.gz KNEKVGPPAKUZCJ-UHFFFAOYSA-N -1 1 281.659 2.070 20 5 CEBDMM O=C([O-])[C@H](CC(F)(F)F)NCc1csc([N+](=O)[O-])c1 ZINC001119602253 815135928 /nfs/dbraw/zinc/13/59/28/815135928.db2.gz RWGOWQZGIRJJAS-LURJTMIESA-N -1 1 298.242 2.152 20 5 CEBDMM Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001115983342 814764008 /nfs/dbraw/zinc/76/40/08/814764008.db2.gz FPLPDWDJVOSEEJ-UHFFFAOYSA-N -1 1 291.311 2.206 20 5 CEBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnc1C ZINC001176062950 816344224 /nfs/dbraw/zinc/34/42/24/816344224.db2.gz CWFHCHRIMKAIRI-UHFFFAOYSA-N -1 1 260.253 2.187 20 5 CEBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C)s1 ZINC000047833339 362226171 /nfs/dbraw/zinc/22/61/71/362226171.db2.gz WMGOPCLFTHAIKZ-UHFFFAOYSA-N -1 1 294.292 2.016 20 5 CEBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCC1 ZINC000157571247 344447522 /nfs/dbraw/zinc/44/75/22/344447522.db2.gz MLZFLIRDZINGNJ-SSDOTTSWSA-N -1 1 290.366 2.123 20 5 CEBDMM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000593731746 345529312 /nfs/dbraw/zinc/52/93/12/345529312.db2.gz BEDJNAUAHSXKDZ-LLVKDONJSA-N -1 1 296.348 2.230 20 5 CEBDMM O=[N+]([O-])c1cncc(Cl)c1[N-]c1cc2n(n1)CCCC2 ZINC000596230748 345975159 /nfs/dbraw/zinc/97/51/59/345975159.db2.gz FEGMRGAJGKUSLW-UHFFFAOYSA-N -1 1 293.714 2.342 20 5 CEBDMM C[C@]12CCCC[C@H]1CN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600760059 346685060 /nfs/dbraw/zinc/68/50/60/346685060.db2.gz JKJSKLJNWRJOAA-HZMBPMFUSA-N -1 1 291.307 2.100 20 5 CEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000015576474 361475326 /nfs/dbraw/zinc/47/53/26/361475326.db2.gz PLQSVJZHVTUUNT-VIFPVBQESA-N -1 1 287.275 2.186 20 5 CEBDMM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H](C)C1 ZINC000119355853 365260795 /nfs/dbraw/zinc/26/07/95/365260795.db2.gz RVXDUYMKPBSAFR-UWVGGRQHSA-N -1 1 293.323 2.204 20 5 CEBDMM CCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119474722 365278368 /nfs/dbraw/zinc/27/83/68/365278368.db2.gz PIRFIFLBRBWCIJ-UHFFFAOYSA-N -1 1 292.744 2.327 20 5 CEBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCC1 ZINC000296373132 378507386 /nfs/dbraw/zinc/50/73/86/378507386.db2.gz HAKDOHKUMWJPOD-UHFFFAOYSA-N -1 1 293.323 2.252 20 5 CEBDMM CCn1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000266195547 190239312 /nfs/dbraw/zinc/23/93/12/190239312.db2.gz VKGMORXNJPUVCP-UHFFFAOYSA-N -1 1 277.284 2.008 20 5 CEBDMM C[C@@H]1CC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000193610729 296288493 /nfs/dbraw/zinc/28/84/93/296288493.db2.gz VJZMHKREXFXNGJ-IUCAKERBSA-N -1 1 293.323 2.250 20 5 CEBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000456672076 379521638 /nfs/dbraw/zinc/52/16/38/379521638.db2.gz YCNPLBLSLSKTRQ-LLVKDONJSA-N -1 1 293.323 2.394 20 5 CEBDMM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000457271054 379731047 /nfs/dbraw/zinc/73/10/47/379731047.db2.gz HZDHQXLGWVKEEU-BXUZGUMPSA-N -1 1 293.323 2.250 20 5 CEBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000444222954 281584529 /nfs/dbraw/zinc/58/45/29/281584529.db2.gz MOHPMHNCUQDHPY-SFYZADRCSA-N -1 1 290.366 2.123 20 5 CEBDMM Cc1cc(Cl)cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1[O-] ZINC000160487458 297436961 /nfs/dbraw/zinc/43/69/61/297436961.db2.gz PNRGKWIDVRORRS-UHFFFAOYSA-N -1 1 296.670 2.238 20 5 CEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(CCO2)CC1 ZINC000548807138 298427491 /nfs/dbraw/zinc/42/74/91/298427491.db2.gz VJLRMHIABXPNQW-UHFFFAOYSA-N -1 1 278.308 2.055 20 5 CEBDMM Cn1c(C(=O)Nc2cccc([O-])c2F)ccc1[N+](=O)[O-] ZINC000551760947 313596168 /nfs/dbraw/zinc/59/61/68/313596168.db2.gz HGGDEZJBWHKARX-UHFFFAOYSA-N -1 1 279.227 2.030 20 5 CEBDMM C[C@@H](CN(Cc1ccc([N+](=O)[O-])cc1F)C1CC1)C(=O)[O-] ZINC000827449662 601305327 /nfs/dbraw/zinc/30/53/27/601305327.db2.gz NJPDHRLYUHAPOR-VIFPVBQESA-N -1 1 296.298 2.419 20 5 CEBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825637779 603794831 /nfs/dbraw/zinc/79/48/31/603794831.db2.gz HDQAMIPHZRDFEI-MNOVXSKESA-N -1 1 293.323 2.340 20 5 CEBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825631589 603796412 /nfs/dbraw/zinc/79/64/12/603796412.db2.gz ZWJZCEXXLKWMPM-MFKMUULPSA-N -1 1 293.323 2.340 20 5 CEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SC1CCCC1 ZINC000823630103 607161962 /nfs/dbraw/zinc/16/19/62/607161962.db2.gz RPVRDMZIJBVXJY-UHFFFAOYSA-N -1 1 292.324 2.205 20 5 CEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1SC1CCCC1 ZINC000823630103 607161963 /nfs/dbraw/zinc/16/19/63/607161963.db2.gz RPVRDMZIJBVXJY-UHFFFAOYSA-N -1 1 292.324 2.205 20 5 CEBDMM CCN(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964256 623276490 /nfs/dbraw/zinc/27/64/90/623276490.db2.gz FDWDPSOMVSFROS-UHFFFAOYSA-N -1 1 272.688 2.155 20 5 CEBDMM Cc1ccc([N+](=O)[O-])c([N-]c2cnn3c2NC[C@@H](C)C3)n1 ZINC000894951892 629770137 /nfs/dbraw/zinc/77/01/37/629770137.db2.gz XQGKYSSUUUZVJG-MRVPVSSYSA-N -1 1 288.311 2.300 20 5 CEBDMM CC(C)OCCO[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000812488492 632537902 /nfs/dbraw/zinc/53/79/02/632537902.db2.gz FXLZJTZNUXKZQP-UHFFFAOYSA-N -1 1 285.256 2.272 20 5 CEBDMM C[C@H](C(=O)[N-]OCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000817334458 633631427 /nfs/dbraw/zinc/63/14/27/633631427.db2.gz LIQHZAWCDSTTAD-VIFPVBQESA-N -1 1 264.281 2.156 20 5 CEBDMM O=C([N-]c1cnoc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000060393545 639612788 /nfs/dbraw/zinc/61/27/88/639612788.db2.gz ATLUKPALQLKTOT-UHFFFAOYSA-N -1 1 267.628 2.489 20 5 CEBDMM Cc1noc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000112114411 644028815 /nfs/dbraw/zinc/02/88/15/644028815.db2.gz ZNLDDNIOVTUALY-UHFFFAOYSA-N -1 1 282.643 2.192 20 5 CEBDMM CC(C)(O)C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000877753379 650897041 /nfs/dbraw/zinc/89/70/41/650897041.db2.gz CJDMZIPZFWLBOX-UHFFFAOYSA-N -1 1 294.351 2.283 20 5 CEBDMM C[Si](C)(C)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074336 647385177 /nfs/dbraw/zinc/38/51/77/647385177.db2.gz ISXIYKUAZHOMAA-UHFFFAOYSA-N -1 1 269.329 2.335 20 5 CEBDMM COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)no1 ZINC001210393063 802679533 /nfs/dbraw/zinc/67/95/33/802679533.db2.gz MNRWBMJXPPWMSQ-UHFFFAOYSA-N -1 1 251.198 2.041 20 5 CEBDMM CC(C)(F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594845780 345691279 /nfs/dbraw/zinc/69/12/79/345691279.db2.gz ZHVCHZQBHGNCPN-UHFFFAOYSA-N -1 1 296.345 2.073 20 5 CEBDMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598444187 346358377 /nfs/dbraw/zinc/35/83/77/346358377.db2.gz KBDDNXYFRCFYQF-UQPYNNQESA-N -1 1 291.307 2.099 20 5 CEBDMM CC1(C)CC[C@@H](CO)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000598646287 346392441 /nfs/dbraw/zinc/39/24/41/346392441.db2.gz DXCNPKLXOCDRPH-LBPRGKRZSA-N -1 1 294.351 2.283 20 5 CEBDMM C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000600706061 346674120 /nfs/dbraw/zinc/67/41/20/346674120.db2.gz ZFWZHXGMBGNGNP-VHSXEESVSA-N -1 1 296.298 2.277 20 5 CEBDMM CSc1ccncc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000610543852 347691665 /nfs/dbraw/zinc/69/16/65/347691665.db2.gz CQXQZTGFNICBRG-UHFFFAOYSA-N -1 1 278.293 2.292 20 5 CEBDMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000104761711 186021129 /nfs/dbraw/zinc/02/11/29/186021129.db2.gz PFJSVFLVPIYXJE-HTQZYQBOSA-N -1 1 290.366 2.123 20 5 CEBDMM CC[C@H](C)CN(CC)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000131144917 366024800 /nfs/dbraw/zinc/02/48/00/366024800.db2.gz WSCMPHVIBUSXAQ-VIFPVBQESA-N -1 1 281.312 2.204 20 5 CEBDMM C[C@@H]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186906778 369065591 /nfs/dbraw/zinc/06/55/91/369065591.db2.gz DOSXMQWMXHQHCS-SCZZXKLOSA-N -1 1 279.296 2.004 20 5 CEBDMM CSc1ccccc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000344710943 217284131 /nfs/dbraw/zinc/28/41/31/217284131.db2.gz PDLIJQIRWLWHCD-UHFFFAOYSA-N -1 1 292.320 2.303 20 5 CEBDMM CCCC(C)(C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000551978328 380670682 /nfs/dbraw/zinc/67/06/82/380670682.db2.gz NQSFYWVZIQTJQB-UHFFFAOYSA-N -1 1 267.285 2.004 20 5 CEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CCCC1 ZINC000179326394 533279771 /nfs/dbraw/zinc/27/97/71/533279771.db2.gz BYQGSAIFLUQQJY-MRVPVSSYSA-N -1 1 279.296 2.004 20 5 CEBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000444222952 395422173 /nfs/dbraw/zinc/42/21/73/395422173.db2.gz MOHPMHNCUQDHPY-HTQZYQBOSA-N -1 1 290.366 2.123 20 5 CEBDMM C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000170816532 287316084 /nfs/dbraw/zinc/31/60/84/287316084.db2.gz PWTXKXQRIFYDBF-LDYMZIIASA-N -1 1 279.296 2.004 20 5 CEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1C1CCC1 ZINC000193538831 280227801 /nfs/dbraw/zinc/22/78/01/280227801.db2.gz WIPHKSPWGNYTLC-LLVKDONJSA-N -1 1 291.307 2.100 20 5 CEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H]2CCCCC[C@H]21 ZINC000373106276 280227957 /nfs/dbraw/zinc/22/79/57/280227957.db2.gz HINVKULJLUDKGU-MWLCHTKSSA-N -1 1 291.307 2.100 20 5 CEBDMM O=C(NCc1ccccc1[N+](=O)[O-])c1ccc([O-])cc1F ZINC000154629976 289151370 /nfs/dbraw/zinc/15/13/70/289151370.db2.gz WNHVIXCDMXMDMG-UHFFFAOYSA-N -1 1 290.250 2.370 20 5 CEBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000571732815 314102970 /nfs/dbraw/zinc/10/29/70/314102970.db2.gz HXBGTDUOCRCPES-SECBINFHSA-N -1 1 281.312 2.202 20 5 CEBDMM CC(C)N(CC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000736454983 574789187 /nfs/dbraw/zinc/78/91/87/574789187.db2.gz NUNSSVMIVWNMIG-UHFFFAOYSA-N -1 1 270.260 2.029 20 5 CEBDMM 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CC(C)OCCO[N-]C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000812803587 632585711 /nfs/dbraw/zinc/58/57/11/632585711.db2.gz NLNGKHNBFRDONO-LLVKDONJSA-N -1 1 296.323 2.171 20 5 CEBDMM CC(F)(F)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000818256727 633896316 /nfs/dbraw/zinc/89/63/16/633896316.db2.gz FCGDQWLNSUTFMZ-UHFFFAOYSA-N -1 1 294.204 2.458 20 5 CEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCCCCCC1 ZINC000839786007 644817403 /nfs/dbraw/zinc/81/74/03/644817403.db2.gz PBAINNTUYXHNTH-UHFFFAOYSA-N -1 1 293.323 2.492 20 5 CEBDMM Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c(=O)[nH]1 ZINC000771144653 646496087 /nfs/dbraw/zinc/49/60/87/646496087.db2.gz TUSLVWYWDBUIKW-UHFFFAOYSA-N -1 1 287.235 2.049 20 5 CEBDMM C[C@H]1C[C@@H](COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCO1 ZINC000784213251 647819783 /nfs/dbraw/zinc/81/97/83/647819783.db2.gz DZDLIZLZGVVYAL-UWVGGRQHSA-N -1 1 295.291 2.272 20 5 CEBDMM CCc1[n-]n(-c2cc([N+](=O)[O-])ccc2C)c(=O)c1F ZINC000871950075 649223456 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O=C(Cc1ccccc1[N+](=O)[O-])[N-]OC1CCCC1 ZINC000271809579 191340618 /nfs/dbraw/zinc/34/06/18/191340618.db2.gz UBIZBWLNMSMANO-UHFFFAOYSA-N -1 1 264.281 2.128 20 5 CEBDMM O=C(Nc1ccc(OC(F)F)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000338754843 366503499 /nfs/dbraw/zinc/50/34/99/366503499.db2.gz OMIWNTSNGPUXDW-UHFFFAOYSA-N -1 1 298.205 2.172 20 5 CEBDMM CN(CC[C@H]1CCCO1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339115997 366659349 /nfs/dbraw/zinc/65/93/49/366659349.db2.gz JTVZJYDJRKXAIK-CYBMUJFWSA-N -1 1 280.324 2.301 20 5 CEBDMM O=C([O-])[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000178901170 189153584 /nfs/dbraw/zinc/15/35/84/189153584.db2.gz DDINGZAVKKKQQQ-QMMMGPOBSA-N -1 1 284.699 2.155 20 5 CEBDMM O=C(Nc1ccc2n[nH]cc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340544497 366931008 /nfs/dbraw/zinc/93/10/08/366931008.db2.gz VLIIFMPXRQLMID-UHFFFAOYSA-N -1 1 271.236 2.052 20 5 CEBDMM CC(C)C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185774753 368857634 /nfs/dbraw/zinc/85/76/34/368857634.db2.gz 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CC(C)[C@@H](C)Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820020837 606713017 /nfs/dbraw/zinc/71/30/17/606713017.db2.gz KWIDKIOLIFUERD-SSDOTTSWSA-N -1 1 294.340 2.307 20 5 CEBDMM CC(C)[C@@H](C)Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820020837 606713019 /nfs/dbraw/zinc/71/30/19/606713019.db2.gz KWIDKIOLIFUERD-SSDOTTSWSA-N -1 1 294.340 2.307 20 5 CEBDMM CC[C@H](C)CSc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820870400 606719276 /nfs/dbraw/zinc/71/92/76/606719276.db2.gz SAMXCHMJGXWZGS-ZETCQYMHSA-N -1 1 294.340 2.308 20 5 CEBDMM CC[C@H](C)CSc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820870400 606719278 /nfs/dbraw/zinc/71/92/78/606719278.db2.gz SAMXCHMJGXWZGS-ZETCQYMHSA-N -1 1 294.340 2.308 20 5 CEBDMM Cc1ccc([N+](=O)[O-])c(Oc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826293094 607895831 /nfs/dbraw/zinc/89/58/31/607895831.db2.gz AWIIPNVICBRCNP-UHFFFAOYSA-N -1 1 298.262 2.271 20 5 CEBDMM Cc1ccc([N+](=O)[O-])c(Oc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826293094 607895832 /nfs/dbraw/zinc/89/58/32/607895832.db2.gz AWIIPNVICBRCNP-UHFFFAOYSA-N -1 1 298.262 2.271 20 5 CEBDMM C[C@H](CN(C)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000049964265 623275995 /nfs/dbraw/zinc/27/59/95/623275995.db2.gz WUNYLKKJRBUXHF-MRVPVSSYSA-N -1 1 286.715 2.401 20 5 CEBDMM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000894041618 629099376 /nfs/dbraw/zinc/09/93/76/629099376.db2.gz FGTRUNSYKUALKE-ZCFIWIBFSA-N -1 1 294.204 2.456 20 5 CEBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC000795564914 629608973 /nfs/dbraw/zinc/60/89/73/629608973.db2.gz XZMOOFYSMXVSFI-UHFFFAOYSA-N -1 1 286.240 2.128 20 5 CEBDMM CC1(C)CC[C@H](OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1=O ZINC000840318781 632827197 /nfs/dbraw/zinc/82/71/97/632827197.db2.gz BFYZBVVYFDCKJD-NSHDSACASA-N -1 1 293.275 2.215 20 5 CEBDMM C[C@H](CN(C)Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000901597411 634203883 /nfs/dbraw/zinc/20/38/83/634203883.db2.gz GTCWXCBATBEICE-MRVPVSSYSA-N -1 1 286.715 2.401 20 5 CEBDMM C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000842937912 640225323 /nfs/dbraw/zinc/22/53/23/640225323.db2.gz SOGGZBMQCGHJQN-BXKDBHETSA-N -1 1 296.298 2.277 20 5 CEBDMM Cc1c([N-]c2nc3ccccn3c2[N+](=O)[O-])cnn1C ZINC000756984164 644716102 /nfs/dbraw/zinc/71/61/02/644716102.db2.gz PXNVZTKJTKPHTA-UHFFFAOYSA-N -1 1 272.268 2.028 20 5 CEBDMM CC(C)CSCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000770277942 646376161 /nfs/dbraw/zinc/37/61/61/646376161.db2.gz FVPPQROZDGJBCE-UHFFFAOYSA-N -1 1 296.348 2.240 20 5 CEBDMM O=C(OCC[C@@H]1CCCC1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071994 647385344 /nfs/dbraw/zinc/38/53/44/647385344.db2.gz NAUMRCHRRXIFHG-VIFPVBQESA-N -1 1 293.275 2.217 20 5 CEBDMM C[C@@H]1CC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC001228143697 806137909 /nfs/dbraw/zinc/13/79/09/806137909.db2.gz PQQCZDSUVWZUAZ-IWSPIJDZSA-N -1 1 267.285 2.294 20 5 CEBDMM O=C(Nc1ccc2cncn2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001179310156 816849311 /nfs/dbraw/zinc/84/93/11/816849311.db2.gz OGYIVJGBXKDEFM-UHFFFAOYSA-N -1 1 298.258 2.200 20 5 CEBDMM CN(CC1CCCCC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193391001 529865052 /nfs/dbraw/zinc/86/50/52/529865052.db2.gz ODOSSXNSLOOXBZ-UHFFFAOYSA-N -1 1 293.323 2.348 20 5 CEBDMM C[C@H](CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000602216580 346997128 /nfs/dbraw/zinc/99/71/28/346997128.db2.gz CBENOHAZUCZULN-SECBINFHSA-N -1 1 295.339 2.450 20 5 CEBDMM COCC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000093103431 344214006 /nfs/dbraw/zinc/21/40/06/344214006.db2.gz MNTUCJWVTPHSFZ-UHFFFAOYSA-N -1 1 280.324 2.159 20 5 CEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCCCC2)c1 ZINC000593743174 345530958 /nfs/dbraw/zinc/53/09/58/345530958.db2.gz VRGFNULOZHLTBO-UHFFFAOYSA-N -1 1 264.281 2.279 20 5 CEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC2(CC2)CC1 ZINC000600769234 346686203 /nfs/dbraw/zinc/68/62/03/346686203.db2.gz RVBNMPIDNPROJU-UHFFFAOYSA-N -1 1 291.307 2.102 20 5 CEBDMM O=C(NC[C@H]1CCCC12CC2)c1cc([N+](=O)[O-])c[n-]c1=O 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O=C([O-])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000164618708 367290130 /nfs/dbraw/zinc/29/01/30/367290130.db2.gz OHBLPACWRDYHIO-SNVBAGLBSA-N -1 1 282.271 2.031 20 5 CEBDMM C[C@H]1CCC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193455314 369943206 /nfs/dbraw/zinc/94/32/06/369943206.db2.gz HVKQXERNENZEID-VHSXEESVSA-N -1 1 293.323 2.252 20 5 CEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H]2CCCCC[C@@H]21 ZINC000373106275 374267444 /nfs/dbraw/zinc/26/74/44/374267444.db2.gz HINVKULJLUDKGU-KOLCDFICSA-N -1 1 291.307 2.100 20 5 CEBDMM Cc1ncccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000347550378 218270183 /nfs/dbraw/zinc/27/01/83/218270183.db2.gz PQIPUZTZOJAJIR-UHFFFAOYSA-N -1 1 271.236 2.343 20 5 CEBDMM CC[C@@H]1CC[C@H](C)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000456817804 379562604 /nfs/dbraw/zinc/56/26/04/379562604.db2.gz JHEJCRPLIYLVGT-VHSXEESVSA-N -1 1 293.323 2.346 20 5 CEBDMM C[C@H](CC(C)(C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000457202109 379711555 /nfs/dbraw/zinc/71/15/55/379711555.db2.gz YVVRGBNJJVSOPJ-MRVPVSSYSA-N -1 1 281.312 2.250 20 5 CEBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccncc3)no2)[n-]1 ZINC000349862828 285104872 /nfs/dbraw/zinc/10/48/72/285104872.db2.gz UHAIYZVNLZTUHZ-UHFFFAOYSA-N -1 1 257.209 2.035 20 5 CEBDMM CC(C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289309547 197292745 /nfs/dbraw/zinc/29/27/45/197292745.db2.gz JPHFFSUBKXVHST-UHFFFAOYSA-N -1 1 296.707 2.074 20 5 CEBDMM CC(C)C[C@H](CO)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339098479 394942919 /nfs/dbraw/zinc/94/29/19/394942919.db2.gz IISAGUSDTPZOAL-GFCCVEGCSA-N -1 1 282.340 2.139 20 5 CEBDMM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc2O1 ZINC000347922667 278686640 /nfs/dbraw/zinc/68/66/40/278686640.db2.gz RQSBNGWZUUICOD-SECBINFHSA-N -1 1 287.275 2.351 20 5 CEBDMM CN(C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739665901 574502426 /nfs/dbraw/zinc/50/24/26/574502426.db2.gz NQJDNNAFTRKYCK-NSHDSACASA-N -1 1 293.323 2.027 20 5 CEBDMM Nc1ccc(C(=O)Nc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000735924992 574771479 /nfs/dbraw/zinc/77/14/79/574771479.db2.gz KUTDROMKMAOOKZ-UHFFFAOYSA-N -1 1 291.238 2.274 20 5 CEBDMM CC(C)[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000824193490 607447854 /nfs/dbraw/zinc/44/78/54/607447854.db2.gz YVURDWGETGUBDR-QMMMGPOBSA-N -1 1 276.300 2.231 20 5 CEBDMM CC(C)[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000824193490 607447855 /nfs/dbraw/zinc/44/78/55/607447855.db2.gz YVURDWGETGUBDR-QMMMGPOBSA-N -1 1 276.300 2.231 20 5 CEBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825637778 603794213 /nfs/dbraw/zinc/79/42/13/603794213.db2.gz HDQAMIPHZRDFEI-GHMZBOCLSA-N -1 1 293.323 2.340 20 5 CEBDMM CN(C[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000828231078 604096361 /nfs/dbraw/zinc/09/63/61/604096361.db2.gz XRWRDXNQXOMQRZ-CYBMUJFWSA-N -1 1 293.323 2.169 20 5 CEBDMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000235363201 625342883 /nfs/dbraw/zinc/34/28/83/625342883.db2.gz ZEEYNAORZJKIDV-PSASIEDQSA-N -1 1 284.337 2.341 20 5 CEBDMM O=[N+]([O-])c1ccc(-c2nc(CCCCF)no2)[n-]1 ZINC000897210743 630992619 /nfs/dbraw/zinc/99/26/19/630992619.db2.gz GWEFWKZQNMRKSR-UHFFFAOYSA-N -1 1 254.221 2.265 20 5 CEBDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccncc1[O-] ZINC000755639777 644539162 /nfs/dbraw/zinc/53/91/62/644539162.db2.gz SHVFRBFRKYQAGY-CSKARUKUSA-N -1 1 299.286 2.159 20 5 CEBDMM CC(=O)[C@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228859677 806353170 /nfs/dbraw/zinc/35/31/70/806353170.db2.gz NGPHTAWGRYOTST-YFKPBYRVSA-N -1 1 294.185 2.071 20 5 CEBDMM CCc1[n-]n(-c2ccc([N+](=O)[O-])cn2)c(=O)c1C(C)C ZINC000601930708 346928611 /nfs/dbraw/zinc/92/86/11/346928611.db2.gz AQUHASFWVWHHDY-GFCCVEGCSA-N -1 1 276.296 2.375 20 5 CEBDMM C[C@@H](O)[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092971217 344208926 /nfs/dbraw/zinc/20/89/26/344208926.db2.gz XNKLHRDFQMYZOM-MFKMUULPSA-N -1 1 280.324 2.036 20 5 CEBDMM CCC[C@]1(CO)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339202173 215011521 /nfs/dbraw/zinc/01/15/21/215011521.db2.gz HOQHGWLIFDCASG-HNNXBMFYSA-N -1 1 294.351 2.285 20 5 CEBDMM O=C(Nc1ccc(-c2ncon2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000339243270 215037020 /nfs/dbraw/zinc/03/70/20/215037020.db2.gz XWKQLMQFSDOXOC-UHFFFAOYSA-N -1 1 299.246 2.225 20 5 CEBDMM O=C(NC[C@@H]1CCCC12CC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600803566 346693469 /nfs/dbraw/zinc/69/34/69/346693469.db2.gz KPZATQQGIPHBLY-JTQLQIEISA-N -1 1 291.307 2.006 20 5 CEBDMM O=C(Nc1cccc(CCCO)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000136271804 366506511 /nfs/dbraw/zinc/50/65/11/366506511.db2.gz XGEGUSSJXRCBMH-UHFFFAOYSA-N -1 1 289.291 2.100 20 5 CEBDMM COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000342487306 216369751 /nfs/dbraw/zinc/36/97/51/216369751.db2.gz CAOPWNFEAZOFPE-UHFFFAOYSA-N -1 1 293.254 2.347 20 5 CEBDMM CN(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340697841 366992200 /nfs/dbraw/zinc/99/22/00/366992200.db2.gz SWMJHWHIRFKVAV-UHFFFAOYSA-N -1 1 274.280 2.241 20 5 CEBDMM CCC1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCC1 ZINC000352511085 369766506 /nfs/dbraw/zinc/76/65/06/369766506.db2.gz WBSZCRKAXJMQOE-UHFFFAOYSA-N -1 1 293.323 2.396 20 5 CEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000193584028 369958169 /nfs/dbraw/zinc/95/81/69/369958169.db2.gz FLCSGEWFKNHWBX-MRVPVSSYSA-N -1 1 279.296 2.004 20 5 CEBDMM CC[C@H](C)C[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193638800 369964987 /nfs/dbraw/zinc/96/49/87/369964987.db2.gz VXANMNDSGNPNEY-DTWKUNHWSA-N -1 1 281.312 2.250 20 5 CEBDMM Cc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000437088400 377836811 /nfs/dbraw/zinc/83/68/11/377836811.db2.gz DFENHMNVWLKWCH-UHFFFAOYSA-N -1 1 260.253 2.187 20 5 CEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000187137273 296283589 /nfs/dbraw/zinc/28/35/89/296283589.db2.gz HXTSHVGCAOCPLM-KOLCDFICSA-N -1 1 291.307 2.100 20 5 CEBDMM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H](C)OC 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O=C(NCC1CCCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452797608 283386841 /nfs/dbraw/zinc/38/68/41/283386841.db2.gz VZNHYWPXXJJWCY-UHFFFAOYSA-N -1 1 293.323 2.396 20 5 CEBDMM C[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000112707947 364831890 /nfs/dbraw/zinc/83/18/90/364831890.db2.gz NZDWLHMPUAQFJK-SSDOTTSWSA-N -1 1 290.366 2.123 20 5 CEBDMM O=C(Nc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])[n-]1 ZINC000340642527 366966590 /nfs/dbraw/zinc/96/65/90/366966590.db2.gz JRTRBVWBTPLICU-UHFFFAOYSA-N -1 1 273.248 2.110 20 5 CEBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000343240100 367719281 /nfs/dbraw/zinc/71/92/81/367719281.db2.gz WGAHGHOQSZOVJC-UHFFFAOYSA-N -1 1 279.227 2.323 20 5 CEBDMM C[C@@H](c1ccco1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188157832 369308863 /nfs/dbraw/zinc/30/88/63/369308863.db2.gz XAOFVKUZHAFORK-QMMMGPOBSA-N -1 1 291.263 2.122 20 5 CEBDMM C[C@H]1CCC[C@@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193406175 369939588 /nfs/dbraw/zinc/93/95/88/369939588.db2.gz ODYVQMJYGYFKNT-GXSJLCMTSA-N -1 1 293.323 2.346 20 5 CEBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc2nc[nH]c21 ZINC000356284220 370641412 /nfs/dbraw/zinc/64/14/12/370641412.db2.gz SQWAGHUMCLYVDR-UHFFFAOYSA-N -1 1 298.258 2.429 20 5 CEBDMM CCC[C@@H](OC)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000296247324 378464471 /nfs/dbraw/zinc/46/44/71/378464471.db2.gz BCQXOZSPILDONV-MRVPVSSYSA-N -1 1 266.257 2.461 20 5 CEBDMM CCC[C@H](OC)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000296247328 378464774 /nfs/dbraw/zinc/46/47/74/378464774.db2.gz BCQXOZSPILDONV-QMMMGPOBSA-N -1 1 266.257 2.461 20 5 CEBDMM CC(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000299078871 378894208 /nfs/dbraw/zinc/89/42/08/378894208.db2.gz FDPIOIQRLNTWGM-UHFFFAOYSA-N -1 1 281.297 2.150 20 5 CEBDMM O=[N+]([O-])c1ccc(-c2nc(C3CC(F)(F)C3)no2)[n-]1 ZINC000296265578 270332143 /nfs/dbraw/zinc/33/21/43/270332143.db2.gz BWYGCOKASHDVQY-UHFFFAOYSA-N -1 1 270.195 2.486 20 5 CEBDMM CCCC1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000150889856 280083516 /nfs/dbraw/zinc/08/35/16/280083516.db2.gz QNOZZWHYDDBULG-UHFFFAOYSA-N -1 1 279.296 2.006 20 5 CEBDMM Cc1ccc2[nH]c(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc2c1 ZINC000344484589 281161045 /nfs/dbraw/zinc/16/10/45/281161045.db2.gz NVUXOHZPGAEDLE-UHFFFAOYSA-N -1 1 285.263 2.360 20 5 CEBDMM Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)[nH]c2c1 ZINC000344484589 281161046 /nfs/dbraw/zinc/16/10/46/281161046.db2.gz NVUXOHZPGAEDLE-UHFFFAOYSA-N -1 1 285.263 2.360 20 5 CEBDMM C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C(=O)[O-] ZINC000828455995 601536809 /nfs/dbraw/zinc/53/68/09/601536809.db2.gz HZSCZXBJDFWIIC-GZMMTYOYSA-N -1 1 298.726 2.401 20 5 CEBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCCNC(=O)[O-] ZINC000825639583 603562698 /nfs/dbraw/zinc/56/26/98/603562698.db2.gz UGURRAQWVZFCKO-JTQLQIEISA-N -1 1 281.312 2.245 20 5 CEBDMM C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000828457383 604790082 /nfs/dbraw/zinc/79/00/82/604790082.db2.gz TXTDLQLSDCJURV-SCZZXKLOSA-N -1 1 298.726 2.401 20 5 CEBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](NC(=O)[O-])C1 ZINC000833907458 605550761 /nfs/dbraw/zinc/55/07/61/605550761.db2.gz JPKDJASZHDAASD-WDEREUQCSA-N -1 1 293.323 2.306 20 5 CEBDMM CC[C@H](C)[C@@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820859343 606711842 /nfs/dbraw/zinc/71/18/42/606711842.db2.gz DGEMJRMQFBGXNQ-JGVFFNPUSA-N -1 1 291.315 2.016 20 5 CEBDMM CC[C@H](C)[C@@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820859343 606711844 /nfs/dbraw/zinc/71/18/44/606711844.db2.gz DGEMJRMQFBGXNQ-JGVFFNPUSA-N -1 1 291.315 2.016 20 5 CEBDMM C[C@@H](CN(C)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000049964264 623276509 /nfs/dbraw/zinc/27/65/09/623276509.db2.gz WUNYLKKJRBUXHF-QMMMGPOBSA-N -1 1 286.715 2.401 20 5 CEBDMM COc1cnc(C=Cc2ccccc2[N+](=O)[O-])[n-]c1=O ZINC000821013297 634603386 /nfs/dbraw/zinc/60/33/86/634603386.db2.gz YOXJLGRGVAEICG-SREVYHEPSA-N -1 1 273.248 2.269 20 5 CEBDMM C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000894041617 629098961 /nfs/dbraw/zinc/09/89/61/629098961.db2.gz FGTRUNSYKUALKE-LURJTMIESA-N -1 1 294.204 2.456 20 5 CEBDMM Cc1ccnc([N-]c2cnn3c2NC[C@@H](C)C3)c1[N+](=O)[O-] ZINC000894951535 629768660 /nfs/dbraw/zinc/76/86/60/629768660.db2.gz QXAXOLOYAMQKAZ-MRVPVSSYSA-N -1 1 288.311 2.300 20 5 CEBDMM COCC[N@@H+](CCC(=O)[O-])[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000903711965 635243232 /nfs/dbraw/zinc/24/32/32/635243232.db2.gz RBLNSWGYPZBJKN-LLVKDONJSA-N -1 1 296.323 2.079 20 5 CEBDMM CC1(C)C[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CCO1 ZINC001225666107 805107869 /nfs/dbraw/zinc/10/78/69/805107869.db2.gz GGOMPWZWSFDCIT-QMMMGPOBSA-N -1 1 268.269 2.032 20 5 CEBDMM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001116091266 814767267 /nfs/dbraw/zinc/76/72/67/814767267.db2.gz YCTKKSFWHPZTAM-UHFFFAOYSA-N -1 1 290.728 2.079 20 5 CEBDMM COc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000601934488 346930810 /nfs/dbraw/zinc/93/08/10/346930810.db2.gz BMOVZDLGRQSZNY-AMIZOPFISA-N -1 1 289.291 2.352 20 5 CEBDMM CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])CC(C)(C)C ZINC000602127218 346979262 /nfs/dbraw/zinc/97/92/62/346979262.db2.gz RZWOJTFOZXMJQU-UHFFFAOYSA-N -1 1 295.339 2.217 20 5 CEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCC2(CC2)CC1 ZINC000600838322 346698911 /nfs/dbraw/zinc/69/89/11/346698911.db2.gz OHWMPTPXPHMMEI-UHFFFAOYSA-N -1 1 291.307 2.102 20 5 CEBDMM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(C)(C)C ZINC000603264145 347323980 /nfs/dbraw/zinc/32/39/80/347323980.db2.gz WVMSIJKFZUKWQV-SECBINFHSA-N -1 1 295.339 2.450 20 5 CEBDMM O=C(Nc1c([O-])cccc1F)c1ccc([N+](=O)[O-])cn1 ZINC000610777115 347713990 /nfs/dbraw/zinc/71/39/90/347713990.db2.gz WNIZSSMRKYJUBA-UHFFFAOYSA-N -1 1 277.211 2.087 20 5 CEBDMM O=C([O-])C[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000086790837 179334641 /nfs/dbraw/zinc/33/46/41/179334641.db2.gz AOGJBXUJTBOETL-VIFPVBQESA-N -1 1 270.310 2.095 20 5 CEBDMM Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1CO ZINC000615893708 348407829 /nfs/dbraw/zinc/40/78/29/348407829.db2.gz LLBLLYXEUHQGGT-UHFFFAOYSA-N -1 1 289.291 2.284 20 5 CEBDMM C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000111255184 186379145 /nfs/dbraw/zinc/37/91/45/186379145.db2.gz OXVYSRGSJUNADB-KCJUWKMLSA-N -1 1 298.726 2.401 20 5 CEBDMM COCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000342007322 216185431 /nfs/dbraw/zinc/18/54/31/216185431.db2.gz SMIWMYNGHNYMCS-UHFFFAOYSA-N -1 1 289.291 2.364 20 5 CEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000339168070 366687438 /nfs/dbraw/zinc/68/74/38/366687438.db2.gz KCAYCTFSHNGIGY-GJZGRUSLSA-N -1 1 292.335 2.444 20 5 CEBDMM O=C(Nc1ccc2nccnc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343366919 367774486 /nfs/dbraw/zinc/77/44/86/367774486.db2.gz RKBUYHFHLQTSMT-UHFFFAOYSA-N -1 1 283.247 2.118 20 5 CEBDMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187128426 369106751 /nfs/dbraw/zinc/10/67/51/369106751.db2.gz QWCWKUPJZGPWCC-VHSXEESVSA-N -1 1 293.323 2.346 20 5 CEBDMM C[C@H](c1ccco1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188157859 369309180 /nfs/dbraw/zinc/30/91/80/369309180.db2.gz XAOFVKUZHAFORK-MRVPVSSYSA-N -1 1 291.263 2.122 20 5 CEBDMM CN(C[C@@H]1CC=CCC1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000330858058 203320475 /nfs/dbraw/zinc/32/04/75/203320475.db2.gz ZZZAQTHJQOUUGA-SNVBAGLBSA-N -1 1 291.307 2.124 20 5 CEBDMM COc1ncccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000356240633 394569770 /nfs/dbraw/zinc/56/97/70/394569770.db2.gz RXCAGXURQCDZMT-UHFFFAOYSA-N -1 1 287.235 2.044 20 5 CEBDMM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000331839538 154213586 /nfs/dbraw/zinc/21/35/86/154213586.db2.gz ZHGWVNSSKLYWAE-SSDOTTSWSA-N -1 1 290.366 2.123 20 5 CEBDMM CC1(C)CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277197974 276107927 /nfs/dbraw/zinc/10/79/27/276107927.db2.gz XNVIRDJIKCIPOF-SNVBAGLBSA-N -1 1 293.323 2.394 20 5 CEBDMM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000457243808 289748138 /nfs/dbraw/zinc/74/81/38/289748138.db2.gz GHQUTIOEXQOJOD-YMTOWFKASA-N -1 1 293.323 2.394 20 5 CEBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC(C)(C)C1 ZINC000345997387 300188951 /nfs/dbraw/zinc/18/89/51/300188951.db2.gz KHOSTLPYQSEBRY-SECBINFHSA-N -1 1 293.323 2.204 20 5 CEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CCCC1 ZINC000179326384 533750001 /nfs/dbraw/zinc/75/00/01/533750001.db2.gz BYQGSAIFLUQQJY-QMMMGPOBSA-N -1 1 279.296 2.004 20 5 CEBDMM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000175657352 527750807 /nfs/dbraw/zinc/75/08/07/527750807.db2.gz DZLSPUBUCGKOHH-UHFFFAOYSA-N -1 1 290.366 2.125 20 5 CEBDMM C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739191560 574898740 /nfs/dbraw/zinc/89/87/40/574898740.db2.gz PNRNDEQDRNTUQS-ZWNOBZJWSA-N -1 1 293.323 2.073 20 5 CEBDMM Cc1c(CN(C)[C@H]2CCN(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829859576 603486483 /nfs/dbraw/zinc/48/64/83/603486483.db2.gz OKYICQOMDPJWAZ-LBPRGKRZSA-N -1 1 293.323 2.087 20 5 CEBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825631584 603797193 /nfs/dbraw/zinc/79/71/93/603797193.db2.gz ZWJZCEXXLKWMPM-GWCFXTLKSA-N -1 1 293.323 2.340 20 5 CEBDMM CC(C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000820016719 606643880 /nfs/dbraw/zinc/64/38/80/606643880.db2.gz OWVDGALUCYJPIN-MRVPVSSYSA-N -1 1 276.300 2.231 20 5 CEBDMM Cc1c(Oc2cccc(-c3nnn[n-]3)n2)cccc1[N+](=O)[O-] ZINC000826242817 607897361 /nfs/dbraw/zinc/89/73/61/607897361.db2.gz HOTQTLWHNKIVRX-UHFFFAOYSA-N -1 1 298.262 2.271 20 5 CEBDMM Cc1c(Oc2cccc(-c3nn[n-]n3)n2)cccc1[N+](=O)[O-] ZINC000826242817 607897362 /nfs/dbraw/zinc/89/73/62/607897362.db2.gz HOTQTLWHNKIVRX-UHFFFAOYSA-N -1 1 298.262 2.271 20 5 CEBDMM CCC[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000048707583 629441282 /nfs/dbraw/zinc/44/12/82/629441282.db2.gz ANGIADLTFNMEBY-MRVPVSSYSA-N -1 1 290.316 2.201 20 5 CEBDMM C[C@H]1C[C@H]1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000859596932 645533944 /nfs/dbraw/zinc/53/39/44/645533944.db2.gz AUAHHECCXYRTSW-CBAPKCEASA-N -1 1 251.238 2.113 20 5 CEBDMM CCCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000047670635 362221316 /nfs/dbraw/zinc/22/13/16/362221316.db2.gz HLDXXBDOXKKYPZ-UHFFFAOYSA-N -1 1 290.316 2.202 20 5 CEBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1F ZINC000128250533 344335393 /nfs/dbraw/zinc/33/53/93/344335393.db2.gz HCDIZMUQBCGSQP-UHFFFAOYSA-N -1 1 291.238 2.395 20 5 CEBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000590565680 345145827 /nfs/dbraw/zinc/14/58/27/345145827.db2.gz PLCPGYGNNYORCR-UHFFFAOYSA-N -1 1 296.670 2.238 20 5 CEBDMM O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593290847 345463054 /nfs/dbraw/zinc/46/30/54/345463054.db2.gz JELOPZRFYCWULN-NSHDSACASA-N -1 1 294.307 2.130 20 5 CEBDMM O=C([O-])CN(Cc1c(F)cccc1[N+](=O)[O-])CC1CC1 ZINC000593290439 345463289 /nfs/dbraw/zinc/46/32/89/345463289.db2.gz DKMXMPURFXLXFQ-UHFFFAOYSA-N -1 1 282.271 2.031 20 5 CEBDMM COCCn1cc([N-]c2sccc2[N+](=O)[O-])cn1 ZINC000301939312 201270870 /nfs/dbraw/zinc/27/08/70/201270870.db2.gz SRLSPJOOIXMWBE-UHFFFAOYSA-N -1 1 268.298 2.243 20 5 CEBDMM COc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000343891769 368062324 /nfs/dbraw/zinc/06/23/24/368062324.db2.gz ZJHVEPWGCRKMGS-UHFFFAOYSA-N -1 1 275.264 2.492 20 5 CEBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncccc1[O-] ZINC000181001202 368411938 /nfs/dbraw/zinc/41/19/38/368411938.db2.gz PZBSLPIUDAODNN-UHFFFAOYSA-N -1 1 273.248 2.256 20 5 CEBDMM C[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000193748595 369979582 /nfs/dbraw/zinc/97/95/82/369979582.db2.gz GOVFQVHMHVQIQD-VHSXEESVSA-N -1 1 293.323 2.204 20 5 CEBDMM Cc1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000344820673 217320745 /nfs/dbraw/zinc/32/07/45/217320745.db2.gz HRGONVFAUXUHNK-UHFFFAOYSA-N -1 1 270.295 2.069 20 5 CEBDMM C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330444423 377135122 /nfs/dbraw/zinc/13/51/22/377135122.db2.gz CFWASKKAZJSOFM-UEKVPHQBSA-N -1 1 294.351 2.282 20 5 CEBDMM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000330461091 377144192 /nfs/dbraw/zinc/14/41/92/377144192.db2.gz WOALZPZVTNPINM-ABAIWWIYSA-N -1 1 294.351 2.283 20 5 CEBDMM CC(C)[C@@H]1N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1(C)C ZINC000293744789 377736803 /nfs/dbraw/zinc/73/68/03/377736803.db2.gz BJWKXJRRVDYGIK-NSHDSACASA-N -1 1 293.323 2.202 20 5 CEBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccsc2Cl)n1 ZINC000438570193 377909516 /nfs/dbraw/zinc/90/95/16/377909516.db2.gz WCDYNEIEYMGYOL-UHFFFAOYSA-N -1 1 286.700 2.296 20 5 CEBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000416279818 395045372 /nfs/dbraw/zinc/04/53/72/395045372.db2.gz VNNSVGVLUNPKMA-VHSXEESVSA-N -1 1 293.323 2.250 20 5 CEBDMM C[C@@H]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1C ZINC000251879362 278522076 /nfs/dbraw/zinc/52/20/76/278522076.db2.gz UPQSONIIFFJROJ-YWVKMMECSA-N -1 1 293.323 2.250 20 5 CEBDMM Cc1c(C(=O)Nc2ccncc2[O-])cccc1[N+](=O)[O-] ZINC000135403988 280045320 /nfs/dbraw/zinc/04/53/20/280045320.db2.gz ZSLHWJXSFXRGEE-UHFFFAOYSA-N -1 1 273.248 2.256 20 5 CEBDMM Cc1cc(Cl)cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1[O-] ZINC000576534525 314285725 /nfs/dbraw/zinc/28/57/25/314285725.db2.gz ZBPPBPRHJAFGIU-UHFFFAOYSA-N -1 1 296.670 2.238 20 5 CEBDMM C[C@@H](C(=O)[O-])N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000054067779 597720343 /nfs/dbraw/zinc/72/03/43/597720343.db2.gz FEHKQIDIHZSZEM-ZETCQYMHSA-N -1 1 272.688 2.153 20 5 CEBDMM O=[N+]([O-])c1cc(NCC2CCCC2)ccc1-c1nn[n-]n1 ZINC000823634450 607347426 /nfs/dbraw/zinc/34/74/26/607347426.db2.gz FUNUMFPIXQADHA-UHFFFAOYSA-N -1 1 288.311 2.377 20 5 CEBDMM CC[C@H](C)[C@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820859345 606711734 /nfs/dbraw/zinc/71/17/34/606711734.db2.gz DGEMJRMQFBGXNQ-YUMQZZPRSA-N -1 1 291.315 2.016 20 5 CEBDMM CC[C@H](C)[C@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820859345 606711732 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/nfs/dbraw/zinc/92/93/23/346929323.db2.gz OGIXPRGFVGMVFU-UFBFGSQYSA-N -1 1 259.265 2.344 20 5 CEBDMM C[C@H]1CCc2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c21 ZINC000601935055 346931274 /nfs/dbraw/zinc/93/12/74/346931274.db2.gz OZYZUHSXECWNPG-QPUJVOFHSA-N -1 1 259.265 2.344 20 5 CEBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCC1 ZINC000157571092 344447345 /nfs/dbraw/zinc/44/73/45/344447345.db2.gz MLZFLIRDZINGNJ-ZETCQYMHSA-N -1 1 290.366 2.123 20 5 CEBDMM COC[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449760936 282358249 /nfs/dbraw/zinc/35/82/49/282358249.db2.gz SMVIMHZXAVHPDR-LBPRGKRZSA-N -1 1 280.324 2.301 20 5 CEBDMM O=c1[n-]nc([C@H]2CCCN(c3sccc3[N+](=O)[O-])C2)o1 ZINC000589597806 345088199 /nfs/dbraw/zinc/08/81/99/345088199.db2.gz VDMWOPDUPWNRGW-ZETCQYMHSA-N -1 1 296.308 2.129 20 5 CEBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590397790 345133515 /nfs/dbraw/zinc/13/35/15/345133515.db2.gz FHOXQEHLNHNKCC-UHFFFAOYSA-N -1 1 296.670 2.238 20 5 CEBDMM 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KDTBJLLPOQFHOT-LLVKDONJSA-N -1 1 284.699 2.297 20 5 CEBDMM CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000236855782 280222865 /nfs/dbraw/zinc/22/28/65/280222865.db2.gz OACQXJOPWRQLBI-SECBINFHSA-N -1 1 284.287 2.419 20 5 CEBDMM CC[C@@H](C)N(CC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000236855782 280222867 /nfs/dbraw/zinc/22/28/67/280222867.db2.gz OACQXJOPWRQLBI-SECBINFHSA-N -1 1 284.287 2.419 20 5 CEBDMM C[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000424265561 281140581 /nfs/dbraw/zinc/14/05/81/281140581.db2.gz JXYBSSXLJAAFIX-NOZJJQNGSA-N -1 1 296.298 2.419 20 5 CEBDMM C[C@@H](NC(=O)c1ncccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000171261761 297477045 /nfs/dbraw/zinc/47/70/45/297477045.db2.gz AEYVBNDSJQMDPF-SECBINFHSA-N -1 1 287.275 2.186 20 5 CEBDMM O=C([O-])CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000050444720 527606294 /nfs/dbraw/zinc/60/62/94/527606294.db2.gz KBEANLYVVHREOB-UHFFFAOYSA-N -1 1 284.699 2.297 20 5 CEBDMM 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